From 9ce2843e9a9dbb3d3ac514f54472eff280ad15f6 Mon Sep 17 00:00:00 2001 From: Stefano Rebughini Date: Sun, 1 Nov 2020 10:56:46 +0100 Subject: [PATCH 01/17] Set theme jekyll-theme-minimal --- _config.yml | 1 + 1 file changed, 1 insertion(+) create mode 100644 _config.yml diff --git a/_config.yml b/_config.yml new file mode 100644 index 00000000..2f7efbea --- /dev/null +++ b/_config.yml @@ -0,0 +1 @@ +theme: jekyll-theme-minimal \ No newline at end of file From 068cdd74675108fbb48d14461431ead198c85604 Mon Sep 17 00:00:00 2001 From: Stefano Rebughini Date: Sun, 1 Nov 2020 11:02:23 +0100 Subject: [PATCH 02/17] Delete _config.yml --- _config.yml | 1 - 1 file changed, 1 deletion(-) delete mode 100644 _config.yml diff --git a/_config.yml b/_config.yml deleted file mode 100644 index 2f7efbea..00000000 --- a/_config.yml +++ /dev/null @@ -1 +0,0 @@ -theme: jekyll-theme-minimal \ No newline at end of file From 4278e72ec8003b800f95d937703d00e7b0d9bb8c Mon Sep 17 00:00:00 2001 From: srebughini Date: Wed, 6 Jan 2021 17:46:35 +0100 Subject: [PATCH 03/17] Fix bug on pressure effect on entropy --- .gitignore | 1 + API/C/Asali.c | 27 +++++---------------------- API/C/Asali.h | 1 - API/C/compile.sh | 4 ---- API/C/thermo.H | 20 ++++++++++++++++++++ API/Fortran/Asali.f90 | 19 +++++++------------ API/Matlab/Asali.m | 14 ++++++++------ 7 files changed, 41 insertions(+), 45 deletions(-) diff --git a/.gitignore b/.gitignore index ec93b085..2e18218c 100644 --- a/.gitignore +++ b/.gitignore @@ -6,3 +6,4 @@ API/C/example API/C/database-generator API/Fortran/example API/Fortran/database-generator +API/Fortran/*.mod diff --git a/API/C/Asali.c b/API/C/Asali.c index 8e1e3da1..e168c549 100644 --- a/API/C/Asali.c +++ b/API/C/Asali.c @@ -64,7 +64,6 @@ void set_temperature(Asali* asali_, double T) asali_->hmole_mix_updated_ = false; asali_->hmass_mix_updated_ = false; asali_->smole_mix_updated_ = false; - asali_->smass_mix_updated_ = false; } } @@ -90,7 +89,6 @@ void set_pressure(Asali* asali_, double P) asali_->hmole_mix_updated_ = false; asali_->hmass_mix_updated_ = false; asali_->smole_mix_updated_ = false; - asali_->smass_mix_updated_ = false; } } @@ -116,7 +114,6 @@ void set_number_of_species(Asali* asali_,int NC) asali_->hmole_mix_updated_ = false; asali_->hmass_mix_updated_ = false; asali_->smole_mix_updated_ = false; - asali_->smass_mix_updated_ = false; resize(asali_,NC); } } @@ -161,7 +158,6 @@ void set_species_names(Asali* asali_,AsaliVector names) asali_->hmole_mix_updated_ = false; asali_->hmass_mix_updated_ = false; asali_->smole_mix_updated_ = false; - asali_->smass_mix_updated_ = false; } else { @@ -203,7 +199,6 @@ void set_mass_fraction(Asali* asali_,AsaliVector y) asali_->hmole_mix_updated_ = false; asali_->hmass_mix_updated_ = false; asali_->smole_mix_updated_ = false; - asali_->smass_mix_updated_ = false; } else { @@ -244,7 +239,6 @@ void set_mole_fraction(Asali* asali_,AsaliVector x) asali_->hmole_mix_updated_ = false; asali_->hmass_mix_updated_ = false; asali_->smole_mix_updated_ = false; - asali_->smass_mix_updated_ = false; } else { @@ -505,7 +499,6 @@ void species_h_(Asali* asali_) } } - void species_s_(Asali* asali_) { if ( !asali_->s_updated_ ) @@ -533,14 +526,15 @@ void species_s_(Asali* asali_) + asali_->thermo_[idx].high[6]; } - set_vector_element_from_double(&asali_->s_mole_,i,s*8314.); //J/kmol/K - set_vector_element_from_double(&asali_->s_mass_,i,s*8314/get_vector_element_as_double(&asali_->MW_,i)); //J/kg/K + s = 8314.*(s - log(asali_->P_*get_vector_element_as_double(&asali_->x_,i)/1.0e05)); + + set_vector_element_from_double(&asali_->s_mole_,i,s); //J/kmol/K + set_vector_element_from_double(&asali_->s_mass_,i,s/get_vector_element_as_double(&asali_->MW_,i)); //J/kg/K } asali_->s_updated_ = true; } } - double get_mixture_thermal_conductivity(Asali* asali_) //[W/m/K] { if ( !asali_->cond_mix_updated_ ) @@ -720,17 +714,7 @@ double get_mixture_molar_entropy(Asali* asali_) double get_mixture_mass_entropy(Asali* asali_) { - if ( !asali_->smass_mix_updated_ ) - { - species_s_(asali_); - asali_->smass_mix_ = 0.; - for (int i=0;iNC_;i++) - { - asali_->smass_mix_ = asali_->smass_mix_ + get_vector_element_as_double(&asali_->y_,i)*get_vector_element_as_double(&asali_->s_mass_,i); - } - asali_->smass_mix_updated_ = true; - } - + asali_->smass_mix_ = get_mixture_molar_entropy(asali_)/asali_->MWmix_; return asali_->smass_mix_; } @@ -789,7 +773,6 @@ void initialize(Asali* asali_) asali_->hmole_mix_updated_ = false; asali_->hmass_mix_updated_ = false; asali_->smole_mix_updated_ = false; - asali_->smass_mix_updated_ = false; asali_->pi_ = 3.14159265358979323846; diff --git a/API/C/Asali.h b/API/C/Asali.h index 577a5565..40ee17f4 100644 --- a/API/C/Asali.h +++ b/API/C/Asali.h @@ -116,7 +116,6 @@ typedef struct bool hmole_mix_updated_; bool hmass_mix_updated_; bool smole_mix_updated_; - bool smass_mix_updated_; AsaliVector name_; AsaliVector index_; diff --git a/API/C/compile.sh b/API/C/compile.sh index e6628444..fab79eae 100755 --- a/API/C/compile.sh +++ b/API/C/compile.sh @@ -1,9 +1,5 @@ -echo "Database" rm -f database-generator gcc database-generator.c -o database-generator -./database-generator -echo "Example" rm -f example gcc example.c AsaliVector.c AsaliMatrix.c Asali.c -lm -o example -./example diff --git a/API/C/thermo.H b/API/C/thermo.H index 938a147d..11686c98 100644 --- a/API/C/thermo.H +++ b/API/C/thermo.H @@ -9178,6 +9178,26 @@ void thermo_update(Asali* asali_) asali_->thermo_[435].low[5] = 6.0020937500e+04; asali_->thermo_[435].low[6] = 2.9624124527e+01; + asali_->thermo_[436].name = (char*) malloc(7 * sizeof(char)); + strcpy(asali_->thermo_[436].name,"BENZYNE"); + + asali_->thermo_[436].high = (float*) malloc(7 * sizeof(float)); + asali_->thermo_[436].high[0] = 1.0946581841e+01; + asali_->thermo_[436].high[1] = 1.5037324280e-02; + asali_->thermo_[436].high[2] = -5.2784494073e-06; + asali_->thermo_[436].high[3] = 8.1460760359e-10; + asali_->thermo_[436].high[4] = -4.4907335500e-14; + asali_->thermo_[436].high[5] = 5.0330140625e+04; + asali_->thermo_[436].high[6] = -3.5378292084e+01; + + asali_->thermo_[436].low = (float*) malloc(7 * sizeof(float)); + asali_->thermo_[436].low[0] = -3.7379617691e+00; + asali_->thermo_[436].low[1] = 5.6993164122e-02; + asali_->thermo_[436].low[2] = -5.0231134082e-05; + asali_->thermo_[436].low[3] = 2.2220648432e-08; + asali_->thermo_[436].low[4] = -3.8674146351e-12; + asali_->thermo_[436].low[5] = 5.4441812500e+04; + asali_->thermo_[436].low[6] = 4.0407081604e+01; asali_->thermo_[437].name = (char*) malloc(8 * sizeof(char)); strcpy(asali_->thermo_[437].name,"NC10MOOH"); diff --git a/API/Fortran/Asali.f90 b/API/Fortran/Asali.f90 index 5f1fc290..678637dd 100644 --- a/API/Fortran/Asali.f90 +++ b/API/Fortran/Asali.f90 @@ -71,7 +71,6 @@ module asali logical :: hmole_mix_update_ = .FALSE. logical :: hmass_mix_update_ = .FALSE. logical :: smole_mix_update_ = .FALSE. - logical :: smass_mix_update_ = .FALSE. contains include "transport_subroutine.f90" @@ -99,7 +98,6 @@ subroutine set_temperature(T) hmole_mix_update_ = .FALSE. hmass_mix_update_ = .FALSE. smole_mix_update_ = .FALSE. - smass_mix_update_ = .FALSE. end if end subroutine set_temperature @@ -124,7 +122,6 @@ subroutine set_pressure(P) hmole_mix_update_ = .FALSE. hmass_mix_update_ = .FALSE. smole_mix_update_ = .FALSE. - smass_mix_update_ = .FALSE. end if end subroutine set_pressure @@ -184,7 +181,6 @@ subroutine set_species_names(names) hmole_mix_update_ = .FALSE. hmass_mix_update_ = .FALSE. smole_mix_update_ = .FALSE. - smass_mix_update_ = .FALSE. end if end subroutine set_species_names @@ -225,7 +221,6 @@ subroutine set_mass_fraction(y) hmole_mix_update_ = .FALSE. hmass_mix_update_ = .FALSE. smole_mix_update_ = .FALSE. - smass_mix_update_ = .FALSE. end if end subroutine set_mass_fraction @@ -264,7 +259,6 @@ subroutine set_mole_fraction(x) hmole_mix_update_ = .FALSE. hmass_mix_update_ = .FALSE. smole_mix_update_ = .FALSE. - smass_mix_update_ = .FALSE. end if end subroutine set_mole_fraction @@ -493,7 +487,7 @@ subroutine species_s_() + thermo_(index_(i))%high(7) end if - smole_(i) = smole_(i)*8314. !J/Kmol/K + smole_(i) = 8314.*(smole_(i) - log(P_*x_(i)/1.e05)) !J/Kmol/K smass_(i) = smole_(i)/MW_(i) !J/Kg/K end do s_update_ = .TRUE. @@ -737,7 +731,7 @@ function get_mixture_molar_entropy() call species_s_() smole_mix_ = 0. do i=1,NC_ - smole_mix_ = smole_mix_ + x_(i)*smole_(i); + smole_mix_ = smole_mix_ + x_(i)*smole_(i) end do smole_mix_update_ = .TRUE. end if @@ -748,14 +742,15 @@ end function get_mixture_molar_entropy function get_mixture_mass_entropy() real :: get_mixture_mass_entropy integer :: i - if ( smass_mix_update_ .EQV. .FALSE. ) then + if ( smole_mix_update_ .EQV. .FALSE. ) then call species_s_() - smass_mix_ = 0. + smole_mix_ = 0. do i=1,NC_ - smass_mix_ = smass_mix_ + y_(i)*smass_(i); + smole_mix_ = smole_mix_ + x_(i)*smole_(i) end do - smass_mix_update_ = .TRUE. + smole_mix_update_ = .TRUE. end if + smass_mix_ = smole_mix_/MWmix_ get_mixture_mass_entropy = smass_mix_ return end function get_mixture_mass_entropy diff --git a/API/Matlab/Asali.m b/API/Matlab/Asali.m index 1a302637..4a0b5880 100644 --- a/API/Matlab/Asali.m +++ b/API/Matlab/Asali.m @@ -389,12 +389,12 @@ function s = get.MixtureMassEntropy(obj) [obj.smole, obj.smass] = obj.species_s_(obj); if ~obj.smass_mix_updated_ - Y = obj.y; + X = obj.x; s = 0; - for i=1:length(Y) - s = s + Y(i)*obj.smass(i); + for i=1:length(X) + s = s + X(i)*obj.smole(i); end - obj.smass_mix = s; + obj.smass_mix = s/obj.MWmix; obj.smass_mix_updated_ = true; else s = obj.smass_mix; @@ -552,14 +552,16 @@ if ~obj.s_updated_ s = zeros(length(obj.index),1); T = obj.Temperature; + X = obj.x; for i=1:length(obj.index) if ( obj.Temperature > 1000 ) s(i) = obj.data.thermo(obj.index(i),1)*log(T) + obj.data.thermo(obj.index(i),2)*T + obj.data.thermo(obj.index(i),3)*T*T/2 + obj.data.thermo(obj.index(i),4)*T*T*T/3 + obj.data.thermo(obj.index(i),5)*T*T*T*T/4 + obj.data.thermo(obj.index(i),7); else s(i) = obj.data.thermo(obj.index(i),8)*log(T) + obj.data.thermo(obj.index(i),9)*T + obj.data.thermo(obj.index(i),10)*T*T/2 + obj.data.thermo(obj.index(i),11)*T*T*T/3 + obj.data.thermo(obj.index(i),12)*T*T*T*T/4 + obj.data.thermo(obj.index(i),14); end + s(i) = 8314*(s(i) - log(obj.Pressure*X(i)/1.0e05)); end - smole = s*8314; + smole = s; smass = smole./obj.MW'; obj.s_updated_ = true; else @@ -781,4 +783,4 @@ sigma = x(1) + x(2)*Tr + x(3)*dr + x(4)*Tr*dr; end end -end \ No newline at end of file +end From e9651299d3f9455f45843c2f40e1e8581c29f78e Mon Sep 17 00:00:00 2001 From: srebughini Date: Wed, 6 Jan 2021 17:51:04 +0100 Subject: [PATCH 04/17] Fix bug on pressure effect on entropy --- API/Octave/Asali.m | 14 ++++++++------ 1 file changed, 8 insertions(+), 6 deletions(-) diff --git a/API/Octave/Asali.m b/API/Octave/Asali.m index 1a302637..4a0b5880 100644 --- a/API/Octave/Asali.m +++ b/API/Octave/Asali.m @@ -389,12 +389,12 @@ function s = get.MixtureMassEntropy(obj) [obj.smole, obj.smass] = obj.species_s_(obj); if ~obj.smass_mix_updated_ - Y = obj.y; + X = obj.x; s = 0; - for i=1:length(Y) - s = s + Y(i)*obj.smass(i); + for i=1:length(X) + s = s + X(i)*obj.smole(i); end - obj.smass_mix = s; + obj.smass_mix = s/obj.MWmix; obj.smass_mix_updated_ = true; else s = obj.smass_mix; @@ -552,14 +552,16 @@ if ~obj.s_updated_ s = zeros(length(obj.index),1); T = obj.Temperature; + X = obj.x; for i=1:length(obj.index) if ( obj.Temperature > 1000 ) s(i) = obj.data.thermo(obj.index(i),1)*log(T) + obj.data.thermo(obj.index(i),2)*T + obj.data.thermo(obj.index(i),3)*T*T/2 + obj.data.thermo(obj.index(i),4)*T*T*T/3 + obj.data.thermo(obj.index(i),5)*T*T*T*T/4 + obj.data.thermo(obj.index(i),7); else s(i) = obj.data.thermo(obj.index(i),8)*log(T) + obj.data.thermo(obj.index(i),9)*T + obj.data.thermo(obj.index(i),10)*T*T/2 + obj.data.thermo(obj.index(i),11)*T*T*T/3 + obj.data.thermo(obj.index(i),12)*T*T*T*T/4 + obj.data.thermo(obj.index(i),14); end + s(i) = 8314*(s(i) - log(obj.Pressure*X(i)/1.0e05)); end - smole = s*8314; + smole = s; smass = smole./obj.MW'; obj.s_updated_ = true; else @@ -781,4 +783,4 @@ sigma = x(1) + x(2)*Tr + x(3)*dr + x(4)*Tr*dr; end end -end \ No newline at end of file +end From 0a1b16e0770d17308ffdd5430bbdd9979f06668d Mon Sep 17 00:00:00 2001 From: srebughini Date: Wed, 6 Jan 2021 18:24:17 +0100 Subject: [PATCH 05/17] Improving solution of LS --- API/Fortran/Asali.f90 | 51 +++++++++++++++++++++++++++++++----------- API/Fortran/compile.sh | 2 +- 2 files changed, 39 insertions(+), 14 deletions(-) diff --git a/API/Fortran/Asali.f90 b/API/Fortran/Asali.f90 index 678637dd..eef8aef1 100644 --- a/API/Fortran/Asali.f90 +++ b/API/Fortran/Asali.f90 @@ -781,7 +781,7 @@ function collision_integrals_22(Tr,dr) result(sigma) real, intent(in) :: Tr, dr real :: sigma - real, dimension(4) :: b + real, dimension(4) :: b, x real, dimension(4,4) :: A integer :: Ta, Tb, da, db, ok, pivot(4), j @@ -828,22 +828,34 @@ function collision_integrals_22(Tr,dr) result(sigma) end if end if - A(1,:) = (/1.,Tsigma22_(Ta),dsigma22_(da),Tsigma22_(Ta)*dsigma22_(da)/) A(2,:) = (/1.,Tsigma22_(Ta),dsigma22_(db),Tsigma22_(Ta)*dsigma22_(db)/) A(3,:) = (/1.,Tsigma22_(Tb),dsigma22_(da),Tsigma22_(Tb)*dsigma22_(da)/) A(4,:) = (/1.,Tsigma22_(Tb),dsigma22_(db),Tsigma22_(Tb)*dsigma22_(db)/) - b(1) = sigmaMatrix22_(Ta,da) b(2) = sigmaMatrix22_(Ta,db) b(3) = sigmaMatrix22_(Tb,da) b(4) = sigmaMatrix22_(Tb,db) - - - call SGESV(4, 1, A, 4, pivot, b, 4, ok) - sigma = b(1) + b(2)*Tr + b(3)*dr + b(4)*Tr*dr + x(4) = (b(1) - b(2)- b(3) + b(4))/(Tsigma22_(Ta)*dsigma22_(da) & + - Tsigma22_(Ta)*dsigma22_(db) & + - Tsigma22_(Tb)*dsigma22_(da) & + + Tsigma22_(Tb)*dsigma22_(db)) + + x(3) = (-x(4)*(Tsigma22_(Ta)*dsigma22_(da) & + - Tsigma22_(Ta)*dsigma22_(db)) & + - b(2) + b(1))/(dsigma22_(da) - dsigma22_(db)) + + x(2) = (-x(4)*(Tsigma22_(Ta)*dsigma22_(da) & + - Tsigma22_(Tb)*dsigma22_(da)) & + - b(3) + b(1))/(Tsigma22_(Ta) - Tsigma22_(Tb)) + + x(1) = -x(2)*Tsigma22_(Ta) & + -x(3)*dsigma22_(da) & + -x(4)*Tsigma22_(Ta)*dsigma22_(da) + b(1) + + sigma = x(1) + x(2)*Tr + x(3)*dr + x(4)*Tr*dr end function collision_integrals_22 @@ -851,7 +863,7 @@ function collision_integrals_11(Tr,dr) result(sigma) real, intent(in) :: Tr, dr real :: sigma - real, dimension(4) :: b + real, dimension(4) :: b, x real, dimension(4,4) :: A integer :: Ta, Tb, da, db, ok, pivot(4), j @@ -897,22 +909,35 @@ function collision_integrals_11(Tr,dr) result(sigma) db = size(dsigma11_) end if end if - A(1,:) = (/1.,Tsigma11_(Ta),dsigma11_(da),Tsigma11_(Ta)*dsigma11_(da)/) A(2,:) = (/1.,Tsigma11_(Ta),dsigma11_(db),Tsigma11_(Ta)*dsigma11_(db)/) A(3,:) = (/1.,Tsigma11_(Tb),dsigma11_(da),Tsigma11_(Tb)*dsigma11_(da)/) A(4,:) = (/1.,Tsigma11_(Tb),dsigma11_(db),Tsigma11_(Tb)*dsigma11_(db)/) - b(1) = sigmaMatrix11_(Ta,da) b(2) = sigmaMatrix11_(Ta,db) b(3) = sigmaMatrix11_(Tb,da) b(4) = sigmaMatrix11_(Tb,db) - - call SGESV(4, 1, A, 4, pivot, b, 4, ok) - sigma = b(1) + b(2)*Tr + b(3)*dr + b(4)*Tr*dr + x(4) = (b(1) - b(2)- b(3) + b(4))/(Tsigma11_(Ta)*dsigma11_(da) & + - Tsigma11_(Ta)*dsigma11_(db) & + - Tsigma11_(Tb)*dsigma11_(da) & + + Tsigma11_(Tb)*dsigma11_(db)) + + x(3) = (-x(4)*(Tsigma11_(Ta)*dsigma11_(da) & + - Tsigma11_(Ta)*dsigma11_(db)) & + - b(2) + b(1))/(dsigma11_(da) - dsigma11_(db)) + + x(2) = (-x(4)*(Tsigma11_(Ta)*dsigma11_(da) & + - Tsigma11_(Tb)*dsigma11_(da)) & + - b(3) + b(1))/(Tsigma11_(Ta) - Tsigma11_(Tb)) + + x(1) = -x(2)*Tsigma11_(Ta) & + -x(3)*dsigma11_(da) & + -x(4)*Tsigma11_(Ta)*dsigma11_(da) + b(1) + + sigma = x(1) + x(2)*Tr + x(3)*dr + x(4)*Tr*dr end function collision_integrals_11 end module asali diff --git a/API/Fortran/compile.sh b/API/Fortran/compile.sh index 509390a1..bc90fcde 100755 --- a/API/Fortran/compile.sh +++ b/API/Fortran/compile.sh @@ -1,3 +1,3 @@ f95 database-generator.f90 -o database-generator -f77 example.f90 -llapack -o example +f77 example.f90 -o example From 4246b266b06c061e7365bf5fcf3e2a5c50612e9d Mon Sep 17 00:00:00 2001 From: srebughini Date: Wed, 6 Jan 2021 18:24:58 +0100 Subject: [PATCH 06/17] Add C++ version --- .gitignore | 2 + API/Cpp/Asali.C | 903 ++++ API/Cpp/Asali.h | 201 + API/Cpp/compile.sh | 5 + API/Cpp/database-generator.cpp | 578 +++ API/Cpp/example.cpp | 129 + API/Cpp/omega11.H | 426 ++ API/Cpp/omega22.H | 427 ++ API/Cpp/thermo.H | 8739 ++++++++++++++++++++++++++++++++ API/Cpp/transport.H | 5351 +++++++++++++++++++ API/README.md | 53 +- 11 files changed, 16806 insertions(+), 8 deletions(-) create mode 100644 API/Cpp/Asali.C create mode 100644 API/Cpp/Asali.h create mode 100755 API/Cpp/compile.sh create mode 100644 API/Cpp/database-generator.cpp create mode 100644 API/Cpp/example.cpp create mode 100644 API/Cpp/omega11.H create mode 100644 API/Cpp/omega22.H create mode 100644 API/Cpp/thermo.H create mode 100644 API/Cpp/transport.H diff --git a/.gitignore b/.gitignore index 2e18218c..81153108 100644 --- a/.gitignore +++ b/.gitignore @@ -4,6 +4,8 @@ Asali __* API/C/example API/C/database-generator +API/Cpp/example +API/Cpp/database-generator API/Fortran/example API/Fortran/database-generator API/Fortran/*.mod diff --git a/API/Cpp/Asali.C b/API/Cpp/Asali.C new file mode 100644 index 00000000..82d3faa1 --- /dev/null +++ b/API/Cpp/Asali.C @@ -0,0 +1,903 @@ +/*############################################################################################## +# # +# ############# ############# ############# #### #### # +# # # # # # # # # # # # +# # ##### # # ######### # ##### # # # # # # +# # # # # # # # # # # # # # # # +# # ##### # # # # ##### # # # # # # +# # # # ######### # # # # # # # +# # # # # # # # # # # # +# # ##### # ######### # # ##### # # # # # # +# # # # # # # # # # # # # # # # +# # # # # ######### # # # # # # ######### # # # +# # # # # # # # # # # # # # # # +# #### #### ############# #### #### ############# #### # +# # +# Author: Stefano Rebughini # +# # +################################################################################################ +# # +# License # +# # +# This file is part of ASALI. # +# # +# ASALI is free software: you can redistribute it and/or modify # +# it under the terms of the GNU General Public License as published by # +# the Free Software Foundation, either version 3 of the License, or # +# (at your option) any later version. # +# # +# ASALI is distributed in the hope that it will be useful, # +# but WITHOUT ANY WARRANTY; without even the implied warranty of # +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # +# GNU General Public License for more details. # +# # +# You should have received a copy of the GNU General Public License # +# along with ASALI. If not, see . # +# # +##############################################################################################*/ + +#include "Asali.h" + +namespace ASALI +{ + + Asali::Asali() + :pi_(3.14159265358979323846) + { + #include "transport.H" + #include "thermo.H" + #include "omega11.H" + #include "omega22.H" + + T_ = 0.; + p_ = 0.; + mu_update_ = false; + diff_update_ = false; + rho_update_ = false; + cp_update_ = false; + h_update_ = false; + s_update_ = false; + cond_update_ = false; + v_update_ = false; + l_update_ = false; + mu_mix_update_ = false; + diff_mix_update_ = false; + cond_mix_update_ = false; + cpmole_mix_update_ = false; + cpmass_mix_update_ = false; + hmole_mix_update_ = false; + hmass_mix_update_ = false; + smole_mix_update_ = false; + } + + //- Return functions + std::vector Asali::speciesName() {return name_;} + std::vector Asali::allSpeciesName() {return transport_.name;} + std::vector Asali::speciesMolecularWeight() {return MW_;} + std::vector Asali::moleFraction() {return x_;} + std::vector Asali::massFraction() {return y_;} + std::vector Asali::speciesViscosity() {speciesViscosity_(); return mu_;} + std::vector Asali::speciesMolarCp() {speciesCp_(); return cpmole_;} + std::vector Asali::speciesMassCp() {speciesCp_(); return cpmass_;} + std::vector Asali::speciesMolarEnthalpy() {speciesH_(); return hmole_;} + std::vector Asali::speciesMassEnthalpy() {speciesH_(); return hmass_;} + std::vector Asali::speciesMolarEntropy() {speciesS_(); return smole_;} + std::vector Asali::speciesMassEntropy() {speciesS_(); return smass_;} + std::vector Asali::speciesThermalConductivity() {speciesThermalConductivity_(); return cond_;} + std::vector > Asali::binaryDiffusion() {binaryDiffusion_(); return diff_;} + unsigned int Asali::numberOfSpecies() {return NC_;} + unsigned int Asali::numberOfAllSpecies() {return transport_.name.size();} + double Asali::mixtureMolecularWeight() {return MWmix_;} + double Asali::density() {density_(); return rho_;} + + void Asali::setTemperature(const double T) + { + if (T != T_) + { + T_ = T; + mu_update_ = false; + diff_update_ = false; + rho_update_ = false; + cp_update_ = false; + h_update_ = false; + s_update_ = false; + cond_update_ = false; + v_update_ = false; + l_update_ = false; + mu_mix_update_ = false; + diff_mix_update_ = false; + cond_mix_update_ = false; + cpmole_mix_update_ = false; + cpmass_mix_update_ = false; + hmole_mix_update_ = false; + hmass_mix_update_ = false; + smole_mix_update_ = false; + } + } + + void Asali::setPressure(const double p) + { + if (p != p_) + { + p_ = p; + mu_update_ = false; + diff_update_ = false; + rho_update_ = false; + cp_update_ = false; + h_update_ = false; + s_update_ = false; + cond_update_ = false; + v_update_ = false; + l_update_ = false; + mu_mix_update_ = false; + diff_mix_update_ = false; + cond_mix_update_ = false; + cpmole_mix_update_ = false; + cpmass_mix_update_ = false; + hmole_mix_update_ = false; + hmass_mix_update_ = false; + smole_mix_update_ = false; + } + } + + void Asali::setMassFraction(const std::vector y) + { + if (y_ != y) + { + y_ = y; + if ( NC_ == y_.size() ) + { + x_.resize(NC_); + MWmix_ = 0.; + for (unsigned int i=0;i x) + { + if ( x_ != x ) + { + x_ = x; + if ( NC_ == x_.size() ) + { + y_.resize(NC_); + MWmix_ = 0.; + for (unsigned int i=0;i name) + { + if ( name_ != name ) + { + NC_ = name.size(); + this->resize(); + name_ = name; + for (unsigned int j=0;jspeciesViscosity_(); + this->binaryDiffusion_(); + this->density_(); + this->speciesCp_(); + + double A = 0.; + double B = 0.; + double Zrot = 0.; + double cvtrans = 0.; + double cvrot = 0.; + double cvvib = 0.; + double ftrans = 0.; + double frot = 0.; + double fvib = 0.; + double rho = 0.; + double R = 8314; //[J/Kmol/K] + for (unsigned int i=0;i 0. && transport_.polar[index_[j]] > 0. ) + { + LJpotentialmix = std::sqrt(transport_.LJpotential[index_[i]]*transport_.LJpotential[index_[j]]); + LJdiametermix = 0.5*(transport_.LJdiameter[index_[i]] + transport_.LJdiameter[index_[j]]); + dipolemix = std::sqrt(transport_.dipole[index_[i]]*transport_.dipole[index_[j]]); + } + else + { + polarn = 0.; + dipolep = 0.; + if ( transport_.polar[index_[i]] == 0. ) + { + polarn = transport_.polar[index_[i]]/std::pow(transport_.LJdiameter[index_[i]],3.); + dipolep = 1e02*transport_.dipole[index_[j]]/std::sqrt(transport_.LJpotential[index_[j]]*1.3806488*std::pow(transport_.LJdiameter[index_[j]],3.)); + chi = 1. + 0.25*polarn*dipolep*std::sqrt(transport_.LJpotential[index_[j]]/transport_.LJpotential[index_[i]]); + } + else + { + polarn = transport_.polar[index_[j]]/std::pow(transport_.LJdiameter[index_[j]],3.); + dipolep = 1e02*transport_.dipole[index_[i]]/std::sqrt(transport_.LJpotential[index_[i]]*1.3806488*std::pow(transport_.LJdiameter[index_[i]],3.)); + chi = 1. + 0.25*polarn*dipolep*std::sqrt(transport_.LJpotential[index_[i]]/transport_.LJpotential[index_[j]]); + } + LJpotentialmix = std::pow(chi,2.)*std::sqrt(transport_.LJpotential[index_[i]]*transport_.LJpotential[index_[j]]); + LJdiametermix = 0.5*(transport_.LJdiameter[index_[i]] + transport_.LJdiameter[index_[j]])*std::pow(chi,-1./6.); + dipolemix = 0.; + } + + Tr = T_/LJpotentialmix; + dr = 0.5*std::pow(dipolemix,2.)/(LJpotentialmix*1.3806488*std::pow(LJdiametermix,3.)); + dr = 1e06*dr; + sigma = collisionIntegrals11(Tr,dr); + diff_[i][j] = (3./16.)*std::sqrt(2.*pi_*std::pow(1.3806488*T_,3.)/(MWmix*1.66054))/(p_*pi_*std::pow(LJdiametermix,2.)*sigma); + diff_[i][j] = diff_[i][j]*0.1; + } + } + diff_update_ = true; + } + } + + double Asali::collisionIntegrals11(const double Tr,const double dr) + { + std::vector b(4); + std::vector x(4); + int Ta = -1; + int Tb = -1; + + for (unsigned int j=0;j<(Tsigma11_.size()-1);j++) + { + if ( Tr >= Tsigma11_[j] && Tr < Tsigma11_[j+1]) + { + Ta = j; + Tb = j + 1; + break; + } + } + + if ( Ta == -1 ) + { + if ( Tr <= Tsigma11_[0] ) + { + Ta = 0; + Tb = 1; + } + else if ( Tr >= Tsigma11_[Tsigma11_.size()-1] ) + { + Ta = Tsigma11_.size() - 2; + Tb = Tsigma11_.size() - 1; + } + } + + int da = -1; + int db = -1; + + for (unsigned int j=0;j= dsigma11_[j] && dr < dsigma11_[j+1]) + { + da = j; + db = j + 1; + break; + } + } + + if ( da == -1 ) + { + if ( dr <= dsigma11_[0] ) + { + da = 0; + db = 1; + } + else if ( dr >= dsigma11_[dsigma11_.size()-1] ) + { + da = dsigma11_.size() - 2; + db = dsigma11_.size() - 1; + } + } + + b[0] = sigmaMatrix11_[Ta][da]; + b[1] = sigmaMatrix11_[Ta][db]; + b[2] = sigmaMatrix11_[Tb][da]; + b[3] = sigmaMatrix11_[Tb][db]; + + x[3] = (b[0] - b[1]- b[2] + b[3])/(Tsigma11_[Ta]*dsigma11_[da] - Tsigma11_[Ta]*dsigma11_[db] - Tsigma11_[Tb]*dsigma11_[da] + Tsigma11_[Tb]*dsigma11_[db]); + + x[2] = (-x[3]*(Tsigma11_[Ta]*dsigma11_[da] - Tsigma11_[Ta]*dsigma11_[db]) - b[1] + b[0])/(dsigma11_[da] - dsigma11_[db]); + + x[1] = (-x[3]*(Tsigma11_[Ta]*dsigma11_[da] - Tsigma11_[Tb]*dsigma11_[da]) - b[2] + b[0])/(Tsigma11_[Ta] - Tsigma11_[Tb]); + + x[0] = -x[1]*Tsigma11_[Ta] - x[2]*dsigma11_[da] - x[3]*Tsigma11_[Ta]*dsigma11_[da] + b[0]; + + return x[0] + x[1]*Tr + x[2]*dr + x[3]*Tr*dr; + } + + double Asali::collisionIntegrals22(const double Tr,const double dr) + { + std::vector b(4); + std::vector x(4); + int Ta = -1; + int Tb = -1; + + for (unsigned int j=0;j<(Tsigma22_.size()-1);j++) + { + if ( Tr >= Tsigma22_[j] && Tr < Tsigma22_[j+1]) + { + Ta = j; + Tb = j + 1; + break; + } + } + + if ( Ta == -1 ) + { + if ( Tr <= Tsigma22_[0] ) + { + Ta = 0; + Tb = 1; + } + else if ( Tr >= Tsigma22_[Tsigma22_.size()-1] ) + { + Ta = Tsigma22_.size() - 2; + Tb = Tsigma22_.size() - 1; + } + } + + int da = -1; + int db = -1; + + for (unsigned int j=0;j= dsigma22_[j] && dr < dsigma22_[j+1]) + { + da = j; + db = j + 1; + break; + } + } + + if ( da == -1 ) + { + if ( dr <= dsigma22_[0] ) + { + da = 0; + db = 1; + } + else if ( dr >= dsigma22_[dsigma22_.size()-1] ) + { + da = dsigma22_.size() - 2; + db = dsigma22_.size() - 1; + } + } + + b[0] = sigmaMatrix22_[Ta][da]; + b[1] = sigmaMatrix22_[Ta][db]; + b[2] = sigmaMatrix22_[Tb][da]; + b[3] = sigmaMatrix22_[Tb][db]; + + x[3] = (b[0] - b[1]- b[2] + b[3])/(Tsigma22_[Ta]*dsigma22_[da] - Tsigma22_[Ta]*dsigma22_[db] - Tsigma22_[Tb]*dsigma22_[da] + Tsigma22_[Tb]*dsigma22_[db]); + + x[2] = (-x[3]*(Tsigma22_[Ta]*dsigma22_[da] - Tsigma22_[Ta]*dsigma22_[db]) - b[1] + b[0])/(dsigma22_[da] - dsigma22_[db]); + + x[1] = (-x[3]*(Tsigma22_[Ta]*dsigma22_[da] - Tsigma22_[Tb]*dsigma22_[da]) - b[2] + b[0])/(Tsigma22_[Ta] - Tsigma22_[Tb]); + + x[0] = -x[1]*Tsigma22_[Ta] - x[2]*dsigma22_[da] - x[3]*Tsigma22_[Ta]*dsigma22_[da] + b[0]; + + return x[0] + x[1]*Tr + x[2]*dr + x[3]*Tr*dr; + } + + void Asali::speciesCp_() + { + if ( !cp_update_ ) + { + for(unsigned int i=0;ispeciesThermalConductivity_(); + double A = 0.; + double B = 0.; + for (unsigned int i=0;ispeciesViscosity_(); + mu_mix_ = 0.; + double sum = 0.; + for(unsigned int k=0;k Asali::mixtureDiffusion() //[m2/s] + { + if ( !diff_mix_update_ ) + { + this->binaryDiffusion_(); + for (unsigned int k=0;k Asali::arithmeticMeanGasVelocity() + { + if ( !v_update_ ) + { + for (unsigned int i=0;i Asali::meanFreePath() + { + if ( !l_update_ ) + { + for (unsigned int i=0;ispeciesCp_(); + cpmole_mix_ = 0; + + for(unsigned int i=0;ispeciesCp_(); + cpmass_mix_ = 0; + + for(unsigned int i=0;imixtureMolarEntropy()/MWmix_; + return smass_mix_; + } + + Asali::~Asali(void) + { + + } +} diff --git a/API/Cpp/Asali.h b/API/Cpp/Asali.h new file mode 100644 index 00000000..cbb5384d --- /dev/null +++ b/API/Cpp/Asali.h @@ -0,0 +1,201 @@ +/*############################################################################################## +# # +# ############# ############# ############# #### #### # +# # # # # # # # # # # # +# # ##### # # ######### # ##### # # # # # # +# # # # # # # # # # # # # # # # +# # ##### # # # # ##### # # # # # # +# # # # ######### # # # # # # # +# # # # # # # # # # # # +# # ##### # ######### # # ##### # # # # # # +# # # # # # # # # # # # # # # # +# # # # # ######### # # # # # # ######### # # # +# # # # # # # # # # # # # # # # +# #### #### ############# #### #### ############# #### # +# # +# Author: Stefano Rebughini # +# # +################################################################################################ +# # +# License # +# # +# This file is part of ASALI. # +# # +# ASALI is free software: you can redistribute it and/or modify # +# it under the terms of the GNU General Public License as published by # +# the Free Software Foundation, either version 3 of the License, or # +# (at your option) any later version. # +# # +# ASALI is distributed in the hope that it will be useful, # +# but WITHOUT ANY WARRANTY; without even the implied warranty of # +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # +# GNU General Public License for more details. # +# # +# You should have received a copy of the GNU General Public License # +# along with ASALI. If not, see . # +# # +##############################################################################################*/ + +#ifndef ASALI_H +#define ASALI_H + +#include +#include +#include +#include +#include +#include +#include +#include +#include + +namespace ASALI +{ + class Asali + { + public: + + Asali(); + + ~Asali(void); + + //- Return functions + std::vector speciesName(); + std::vector allSpeciesName(); + std::vector speciesMolecularWeight(); + std::vector moleFraction(); + std::vector massFraction(); + std::vector speciesViscosity(); + std::vector speciesThermalConductivity(); + std::vector speciesMolarCp(); + std::vector speciesMassCp(); + std::vector speciesMolarEnthalpy(); + std::vector speciesMassEnthalpy(); + std::vector speciesMolarEntropy(); + std::vector speciesMassEntropy(); + std::vector mixtureDiffusion(); + std::vector arithmeticMeanGasVelocity(); + std::vector meanFreePath(); + std::vector > binaryDiffusion(); + unsigned int numberOfSpecies(); + unsigned int numberOfAllSpecies(); + double mixtureMolecularWeight(); + double density(); + double mixtureThermalConductivity(); + double mixtureViscosity(); + double mixtureMolarCp(); + double mixtureMassCp(); + double mixtureMolarEnthalpy(); + double mixtureMassEnthalpy(); + double mixtureMolarEntropy(); + double mixtureMassEntropy(); + + void setTemperature(const double T); + + void setPressure(const double p); + + void setMassFraction(const std::vector y); + + void setMoleFraction(const std::vector x); + + void setSpecies(const std::vector name); + + private: + + struct transportParameters + { + std::vector name; + std::vector geometry; + std::vector LJpotential; + std::vector LJdiameter; + std::vector dipole; + std::vector polar; + std::vector collision; + std::vector MW; + } transport_; + + struct thermoParameters + { + std::vector name; + std::vector > high; + std::vector > low; + } thermo_; + + unsigned int NC_; + + double p_; + double T_; + double MWmix_; + double rho_; + double cond_mix_; + double mu_mix_; + double cpmole_mix_; + double cpmass_mix_; + double hmole_mix_; + double hmass_mix_; + double smole_mix_; + double smass_mix_; + + std::vector y_; + std::vector x_; + std::vector MW_; + std::vector mu_; + std::vector cond_; + std::vector cpmole_; + std::vector cpmass_; + std::vector hmole_; + std::vector hmass_; + std::vector smole_; + std::vector smass_; + std::vector diff_mix_; + std::vector v_; + std::vector l_; + std::vector Tsigma11_; + std::vector dsigma11_; + std::vector Tsigma22_; + std::vector dsigma22_; + + std::vector > sigmaMatrix11_; + std::vector > sigmaMatrix22_; + std::vector > diff_; + + std::vector index_; + + std::vector name_; + + void resize(); + void density_(); + void speciesViscosity_(); + void binaryDiffusion_(); + void speciesThermalConductivity_(); + void speciesCp_(); + void speciesH_(); + void speciesS_(); + + double collisionIntegrals11(const double Tr,const double dr); + double collisionIntegrals22(const double Tr,const double dr); + + double pi_; + + bool mu_update_; + bool diff_update_; + bool rho_update_; + bool cp_update_; + bool h_update_; + bool s_update_; + bool cond_update_; + bool v_update_; + bool l_update_; + bool mu_mix_update_; + bool diff_mix_update_; + bool cond_mix_update_; + bool cpmole_mix_update_; + bool cpmass_mix_update_; + bool hmole_mix_update_; + bool hmass_mix_update_; + bool smole_mix_update_; + }; + +} + +#endif diff --git a/API/Cpp/compile.sh b/API/Cpp/compile.sh new file mode 100755 index 00000000..fdad2a7e --- /dev/null +++ b/API/Cpp/compile.sh @@ -0,0 +1,5 @@ +rm -f database-generator +g++ -std=c++11 -Wall -Wextra database-generator.cpp -o database-generator + +rm -f example +g++ -std=c++11 -Wall -Wextra Asali.C example.cpp -o example diff --git a/API/Cpp/database-generator.cpp b/API/Cpp/database-generator.cpp new file mode 100644 index 00000000..1e7d98b6 --- /dev/null +++ b/API/Cpp/database-generator.cpp @@ -0,0 +1,578 @@ +/*############################################################################################## +# # +# ############# ############# ############# #### #### # +# # # # # # # # # # # # +# # ##### # # ######### # ##### # # # # # # +# # # # # # # # # # # # # # # # +# # ##### # # # # ##### # # # # # # +# # # # ######### # # # # # # # +# # # # # # # # # # # # +# # ##### # ######### # # ##### # # # # # # +# # # # # # # # # # # # # # # # +# # # # # ######### # # # # # # ######### # # # +# # # # # # # # # # # # # # # # +# #### #### ############# #### #### ############# #### # +# # +# Author: Stefano Rebughini # +# # +################################################################################################ +# # +# License # +# # +# This file is part of ASALI. # +# # +# ASALI is free software: you can redistribute it and/or modify # +# it under the terms of the GNU General Public License as published by # +# the Free Software Foundation, either version 3 of the License, or # +# (at your option) any later version. # +# # +# ASALI is distributed in the hope that it will be useful, # +# but WITHOUT ANY WARRANTY; without even the implied warranty of # +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # +# GNU General Public License for more details. # +# # +# You should have received a copy of the GNU General Public License # +# along with ASALI. If not, see . # +# # +##############################################################################################*/ + +// C++ +#include +#include +#include +#include +#include +#include +#include +#include +#include + +int main() +{ + std::vector namesFromTransport; + { + std::ifstream transport("../database/transport.asali"); + + std::string line; + std::vector all; + if (transport.is_open()) + { + while ( getline (transport,line) ) + { + if (!line.empty()) + { + std::size_t pos = line.find("#"); + if (pos != 0) + { + all.push_back(line); + } + } + } + transport.close(); + + unsigned int counter = 0; + std::vector > allv(all.size()); + + for (unsigned int i=0;i> line) + { + allv[i].push_back(line); + counter++; + } + + if ( counter == 8 ) + { + counter = 0; + } + else + { + std::cout << "\nASALI::error" << std::endl; + std::cout << "database/transport.asali missing parameter in line:\n" << std::endl; + std::cout << all[i] << "\n" << std::endl; + exit(EXIT_FAILURE); + } + } + + + for (unsigned int i=0;i 2 ) + { + std::cout << "\nASALI::error" << std::endl; + std::cout << "database/transport.asali second paramter should be || 0 || 1 || 2 || in line:\n" << std::endl; + std::cout << all[i] << "\n" << std::endl; + exit(EXIT_FAILURE); + } + } + + remove("transport.H"); + std::ofstream output; + output.open("transport.H",std::ios::out); + output << "/*##############################################################################################" << std::endl; + output << "# #" << std::endl; + output << "# ############# ############# ############# #### #### #" << std::endl; + output << "# # # # # # # # # # # #" << std::endl; + output << "# # ##### # # ######### # ##### # # # # # #" << std::endl; + output << "# # # # # # # # # # # # # # # #" << std::endl; + output << "# # ##### # # # # ##### # # # # # #" << std::endl; + output << "# # # # ######### # # # # # # #" << std::endl; + output << "# # # # # # # # # # # #" << std::endl; + output << "# # ##### # ######### # # ##### # # # # # #" << std::endl; + output << "# # # # # # # # # # # # # # # #" << std::endl; + output << "# # # # # ######### # # # # # # ######### # # #" << std::endl; + output << "# # # # # # # # # # # # # # # #" << std::endl; + output << "# #### #### ############# #### #### ############# #### #" << std::endl; + output << "# #" << std::endl; + output << "# Author: Stefano Rebughini #" << std::endl; + output << "# #" << std::endl; + output << "################################################################################################" << std::endl; + output << "# #" << std::endl; + output << "# License #" << std::endl; + output << "# #" << std::endl; + output << "# This file is part of ASALI. #" << std::endl; + output << "# #" << std::endl; + output << "# ASALI is free software: you can redistribute it and/or modify #" << std::endl; + output << "# it under the terms of the GNU General Public License as published by #" << std::endl; + output << "# the Free Software Foundation, either version 3 of the License, or #" << std::endl; + output << "# (at your option) any later version. #" << std::endl; + output << "# #" << std::endl; + output << "# ASALI is distributed in the hope that it will be useful, #" << std::endl; + output << "# but WITHOUT ANY WARRANTY; without even the implied warranty of #" << std::endl; + output << "# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the #" << std::endl; + output << "# GNU General Public License for more details. #" << std::endl; + output << "# #" << std::endl; + output << "# You should have received a copy of the GNU General Public License #" << std::endl; + output << "# along with ASALI. If not, see . #" << std::endl; + output << "# #" << std::endl; + output << "##############################################################################################*/" << std::endl; + output << " " << std::endl; + for (unsigned int i=0;i > omega22; + { + std::ifstream transport("../database/omega22.asali"); + + std::string line; + std::vector all; + if (transport.is_open()) + { + while ( getline (transport,line) ) + { + if (!line.empty()) + { + std::size_t pos = line.find("#"); + if (pos != 0) + { + all.push_back(line); + } + } + } + transport.close(); + + unsigned int counter = 0; + std::vector > allv(all.size()); + omega22.resize(all.size()); + + for (unsigned int i=0;i> line) + { + allv[i].push_back(line); + counter++; + } + omega22[i] = allv[i]; + } + + remove("omega22.H"); + std::ofstream output; + output.open("omega22.H",std::ios::out); + output << "/*##############################################################################################" << std::endl; + output << "# #" << std::endl; + output << "# ############# ############# ############# #### #### #" << std::endl; + output << "# # # # # # # # # # # #" << std::endl; + output << "# # ##### # # ######### # ##### # # # # # #" << std::endl; + output << "# # # # # # # # # # # # # # # #" << std::endl; + output << "# # ##### # # # # ##### # # # # # #" << std::endl; + output << "# # # # ######### # # # # # # #" << std::endl; + output << "# # # # # # # # # # # #" << std::endl; + output << "# # ##### # ######### # # ##### # # # # # #" << std::endl; + output << "# # # # # # # # # # # # # # # #" << std::endl; + output << "# # # # # ######### # # # # # # ######### # # #" << std::endl; + output << "# # # # # # # # # # # # # # # #" << std::endl; + output << "# #### #### ############# #### #### ############# #### #" << std::endl; + output << "# #" << std::endl; + output << "# Author: Stefano Rebughini #" << std::endl; + output << "# #" << std::endl; + output << "################################################################################################" << std::endl; + output << "# #" << std::endl; + output << "# License #" << std::endl; + output << "# #" << std::endl; + output << "# This file is part of ASALI. #" << std::endl; + output << "# #" << std::endl; + output << "# ASALI is free software: you can redistribute it and/or modify #" << std::endl; + output << "# it under the terms of the GNU General Public License as published by #" << std::endl; + output << "# the Free Software Foundation, either version 3 of the License, or #" << std::endl; + output << "# (at your option) any later version. #" << std::endl; + output << "# #" << std::endl; + output << "# ASALI is distributed in the hope that it will be useful, #" << std::endl; + output << "# but WITHOUT ANY WARRANTY; without even the implied warranty of #" << std::endl; + output << "# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the #" << std::endl; + output << "# GNU General Public License for more details. #" << std::endl; + output << "# #" << std::endl; + output << "# You should have received a copy of the GNU General Public License #" << std::endl; + output << "# along with ASALI. If not, see . #" << std::endl; + output << "# #" << std::endl; + output << "##############################################################################################*/" << std::endl; + output << " " << std::endl; + output << "{" << std::endl; + for (unsigned int j=1;j all; + if (transport.is_open()) + { + while ( getline (transport,line) ) + { + if (!line.empty()) + { + std::size_t pos = line.find("#"); + if (pos != 0) + { + all.push_back(line); + } + } + } + transport.close(); + + unsigned int counter = 0; + std::vector > allv(all.size()); + + for (unsigned int i=0;i> line) + { + allv[i].push_back(line); + counter++; + } + } + + remove("omega11.H"); + std::ofstream output; + output.open("omega11.H",std::ios::out); + output << "/*##############################################################################################" << std::endl; + output << "# #" << std::endl; + output << "# ############# ############# ############# #### #### #" << std::endl; + output << "# # # # # # # # # # # #" << std::endl; + output << "# # ##### # # ######### # ##### # # # # # #" << std::endl; + output << "# # # # # # # # # # # # # # # #" << std::endl; + output << "# # ##### # # # # ##### # # # # # #" << std::endl; + output << "# # # # ######### # # # # # # #" << std::endl; + output << "# # # # # # # # # # # #" << std::endl; + output << "# # ##### # ######### # # ##### # # # # # #" << std::endl; + output << "# # # # # # # # # # # # # # # #" << std::endl; + output << "# # # # # ######### # # # # # # ######### # # #" << std::endl; + output << "# # # # # # # # # # # # # # # #" << std::endl; + output << "# #### #### ############# #### #### ############# #### #" << std::endl; + output << "# #" << std::endl; + output << "# Author: Stefano Rebughini #" << std::endl; + output << "# #" << std::endl; + output << "################################################################################################" << std::endl; + output << "# #" << std::endl; + output << "# License #" << std::endl; + output << "# #" << std::endl; + output << "# This file is part of ASALI. #" << std::endl; + output << "# #" << std::endl; + output << "# ASALI is free software: you can redistribute it and/or modify #" << std::endl; + output << "# it under the terms of the GNU General Public License as published by #" << std::endl; + output << "# the Free Software Foundation, either version 3 of the License, or #" << std::endl; + output << "# (at your option) any later version. #" << std::endl; + output << "# #" << std::endl; + output << "# ASALI is distributed in the hope that it will be useful, #" << std::endl; + output << "# but WITHOUT ANY WARRANTY; without even the implied warranty of #" << std::endl; + output << "# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the #" << std::endl; + output << "# GNU General Public License for more details. #" << std::endl; + output << "# #" << std::endl; + output << "# You should have received a copy of the GNU General Public License #" << std::endl; + output << "# along with ASALI. If not, see . #" << std::endl; + output << "# #" << std::endl; + output << "##############################################################################################*/" << std::endl; + output << " " << std::endl; + output << "{" << std::endl; + for (unsigned int j=1;j all; + if (thermo.is_open()) + { + while ( getline (thermo,line) ) + { + if (!line.empty()) + { + std::size_t pos = line.find("#"); + if (pos != 0) + { + all.push_back(line); + } + } + } + thermo.close(); + + + if ( all.size()%4 != 0 ) + { + std::cout << "\nASALI::error" << std::endl; + std::cout << "the number of line in the database/thermo.asali is wrong\n" << std::endl; + exit(EXIT_FAILURE); + } + + unsigned int nameCounter = 0; + std::vector > > allv(int(all.size()/4)); + std::vector name(int(all.size()/4)); + + for (unsigned int i=0;i> line) + { + allv[nameCounter][k].push_back(line); + } + } + allv[nameCounter][2].push_back("none"); + nameCounter++; + } + + + { + std::vector check(namesFromTransport.size()); + + for (unsigned int i=0;i #" << std::endl; + output << "# #" << std::endl; + output << "################################################################################################" << std::endl; + output << "# #" << std::endl; + output << "# License #" << std::endl; + output << "# #" << std::endl; + output << "# This file is part of ASALI. #" << std::endl; + output << "# #" << std::endl; + output << "# ASALI is free software: you can redistribute it and/or modify #" << std::endl; + output << "# it under the terms of the GNU General Public License as published by #" << std::endl; + output << "# the Free Software Foundation, either version 3 of the License, or #" << std::endl; + output << "# (at your option) any later version. #" << std::endl; + output << "# #" << std::endl; + output << "# ASALI is distributed in the hope that it will be useful, #" << std::endl; + output << "# but WITHOUT ANY WARRANTY; without even the implied warranty of #" << std::endl; + output << "# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the #" << std::endl; + output << "# GNU General Public License for more details. #" << std::endl; + output << "# #" << std::endl; + output << "# You should have received a copy of the GNU General Public License #" << std::endl; + output << "# along with ASALI. If not, see . #" << std::endl; + output << "# #" << std::endl; + output << "##############################################################################################*/" << std::endl; + output << " " << std::endl; + + output << "{" << std::endl; + output << "\tthermo_.high.resize(" << name.size() << ");" << std::endl; + output << "\tthermo_.low.resize(" << name.size() << ");" << std::endl; + output << "\tthermo_.name.resize(" << name.size() << ");" << std::endl; + output << "}" << std::endl; + output << " " << std::endl; + for(unsigned int k=0;k # +# # +################################################################################################ +# # +# License # +# # +# This file is part of ASALI. # +# # +# ASALI is free software: you can redistribute it and/or modify # +# it under the terms of the GNU General Public License as published by # +# the Free Software Foundation, either version 3 of the License, or # +# (at your option) any later version. # +# # +# ASALI is distributed in the hope that it will be useful, # +# but WITHOUT ANY WARRANTY; without even the implied warranty of # +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # +# GNU General Public License for more details. # +# # +# You should have received a copy of the GNU General Public License # +# along with ASALI. If not, see . # +# # +##############################################################################################*/ + +#include "Asali.h" + +int main() +{ + ASALI::Asali asali; + std::vector names(3); + std::vector x(3); + + names[0] = "H2"; + names[1] = "O2"; + names[2] = "N2"; + + x[0] = 0.1; + x[1] = 0.2; + x[2] = 1. - x[0] - x[1]; + + asali.setSpecies(names); + + asali.setTemperature(393.15); //K + + asali.setPressure(4e05); //Pa + + asali.setMoleFraction(x); + + std::cout << "Mixture molecular weight: " << asali.mixtureMolecularWeight() << " [kg/kmol]" << std::endl; + std::cout << "Density: " << asali.density() << " [kg/m3]" << std::endl; + std::cout << "Mixture viscosity: " << asali.mixtureViscosity() << " [Pas]" << std::endl; + std::cout << "Mixture specific heat: " << asali.mixtureMassCp() << " [J/kg/K]" << std::endl; + std::cout << "Mixture specific heat: " << asali.mixtureMolarCp() << " [J/kmol/K]" << std::endl; + std::cout << "Mixture enthalpy: " << asali.mixtureMassEnthalpy() << " [J/kg]" << std::endl; + std::cout << "Mixture enthalpy: " << asali.mixtureMolarEnthalpy() << " [J/kmol]" << std::endl; + std::cout << "Mixture thermal conductivity: " << asali.mixtureThermalConductivity() << " [W/m/K]" << std::endl; + std::cout << "Mixture entropy: " << asali.mixtureMassEntropy() << " [J/kg/K]" << std::endl; + std::cout << "Mixture entropy: " << asali.mixtureMolarEntropy() << " [J/kmol/K]" << std::endl; + + std::cout << "\nSpecies viscosity [Pas]" << std::endl; + for (unsigned int i=0;i<3;i++) + { + std::cout << names[i] << ": " << asali.speciesViscosity()[i] << std::endl; + } + + std::cout << "\nSpecies binary diffusion coefficient [m2/s]" << std::endl; + for (unsigned int i=0;i<3;i++) + { + std::cout << names[i] << ": " << asali.binaryDiffusion()[i][0] << "," << asali.binaryDiffusion()[i][1] << "," << asali.binaryDiffusion()[i][2] << std::endl; + } + + std::cout << "\nSpecies specific heat [J/kg/K]" << std::endl; + for (unsigned int i=0;i<3;i++) + { + std::cout << names[i] << ": " << asali.speciesMassCp()[i] << std::endl; + } + + std::cout << "\nSpecies enthalpy [J/kg]" << std::endl; + for (unsigned int i=0;i<3;i++) + { + std::cout << names[i] << ": " << asali.speciesMassEnthalpy()[i] << std::endl; + } + + std::cout << "\nSpecies entropy [J/kg]" << std::endl; + for (unsigned int i=0;i<3;i++) + { + std::cout << names[i] << ": " << asali.speciesMassEntropy()[i] << std::endl; + } + + std::cout << "\nSpecies thermal conductivity [W/m/K]" << std::endl; + for (unsigned int i=0;i<3;i++) + { + std::cout << names[i] << ": " << asali.speciesThermalConductivity()[i] << std::endl; + } + + std::cout << "\nMixture diffusion coefficient [m2/s]" << std::endl; + for (unsigned int i=0;i<3;i++) + { + std::cout << names[i] << ": " << asali.mixtureDiffusion()[i] << std::endl; + } + + std::cout << "\nMean gas velocity [m/s]" << std::endl; + for (unsigned int i=0;i<3;i++) + { + std::cout << names[i] << ": " << asali.arithmeticMeanGasVelocity()[i] << std::endl; + } + + std::cout << "\nMean free path [m]" << std::endl; + for (unsigned int i=0;i<3;i++) + { + std::cout << names[i] << ": " << asali.meanFreePath()[i] << std::endl; + } + + return 0; +} diff --git a/API/Cpp/omega11.H b/API/Cpp/omega11.H new file mode 100644 index 00000000..77b7734c --- /dev/null +++ b/API/Cpp/omega11.H @@ -0,0 +1,426 @@ +/*############################################################################################## +# # +# ############# ############# ############# #### #### # +# # # # # # # # # # # # +# # ##### # # ######### # ##### # # # # # # +# # # # # # # # # # # # # # # # +# # ##### # # # # ##### # # # # # # +# # # # ######### # # # # # # # +# # # # # # # # # # # # +# # ##### # ######### # # ##### # # # # # # +# # # # # # # # # # # # # # # # +# # # # # ######### # # # # # # ######### # # # +# # # # # # # # # # # # # # # # +# #### #### ############# #### #### ############# #### # +# # +# Author: Stefano Rebughini # +# # +################################################################################################ +# # +# License # +# # +# This file is part of ASALI. # +# # +# ASALI is free software: you can redistribute it and/or modify # +# it under the terms of the GNU General Public License as published by # +# the Free Software Foundation, either version 3 of the License, or # +# (at your option) any later version. # +# # +# ASALI is distributed in the hope that it will be useful, # +# but WITHOUT ANY WARRANTY; without even the implied warranty of # +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # +# GNU General Public License for more details. # +# # +# You should have received a copy of the GNU General Public License # +# along with ASALI. If not, see . # +# # +##############################################################################################*/ + +{ + dsigma11_.push_back(0); + dsigma11_.push_back(0.25); + dsigma11_.push_back(0.5); + dsigma11_.push_back(0.75); + dsigma11_.push_back(1); + dsigma11_.push_back(1.5); + dsigma11_.push_back(2); + dsigma11_.push_back(2.5); +} + +{ + Tsigma11_.push_back(0.1); + Tsigma11_.push_back(0.2); + Tsigma11_.push_back(0.3); + Tsigma11_.push_back(0.4); + Tsigma11_.push_back(0.5); + Tsigma11_.push_back(0.6); + Tsigma11_.push_back(0.7); + Tsigma11_.push_back(0.8); + Tsigma11_.push_back(0.9); + Tsigma11_.push_back(1); + Tsigma11_.push_back(1.2); + Tsigma11_.push_back(1.4); + Tsigma11_.push_back(1.6); + Tsigma11_.push_back(1.8); + Tsigma11_.push_back(2); + Tsigma11_.push_back(2.5); + Tsigma11_.push_back(3); + Tsigma11_.push_back(3.5); + Tsigma11_.push_back(4); + Tsigma11_.push_back(5); + Tsigma11_.push_back(6); + Tsigma11_.push_back(7); + Tsigma11_.push_back(8); + Tsigma11_.push_back(9); + Tsigma11_.push_back(10); + Tsigma11_.push_back(12); + Tsigma11_.push_back(14); + Tsigma11_.push_back(16); + Tsigma11_.push_back(18); + Tsigma11_.push_back(20); + Tsigma11_.push_back(25); + Tsigma11_.push_back(30); + Tsigma11_.push_back(35); + Tsigma11_.push_back(40); + Tsigma11_.push_back(50); + Tsigma11_.push_back(75); + Tsigma11_.push_back(100); +} + +sigmaMatrix11_.resize(38); +{ + sigmaMatrix11_[0].push_back(4.1005/1.0231); + sigmaMatrix11_[0].push_back(4.266/1.066); + sigmaMatrix11_[0].push_back(4.833/1.038); + sigmaMatrix11_[0].push_back(5.742/1.04); + sigmaMatrix11_[0].push_back(6.729/1.043); + sigmaMatrix11_[0].push_back(8.624/1.05); + sigmaMatrix11_[0].push_back(10.34/1.052); + sigmaMatrix11_[0].push_back(11.89/1.051); + + sigmaMatrix11_[1].push_back(3.2626/1.0424); + sigmaMatrix11_[1].push_back(3.305/1.045); + sigmaMatrix11_[1].push_back(3.516/1.048); + sigmaMatrix11_[1].push_back(3.914/1.052); + sigmaMatrix11_[1].push_back(4.433/1.056); + sigmaMatrix11_[1].push_back(5.57/1.065); + sigmaMatrix11_[1].push_back(6.637/1.066); + sigmaMatrix11_[1].push_back(7.618/1.064); + + sigmaMatrix11_[2].push_back(2.8399/1.0719); + sigmaMatrix11_[2].push_back(2.836/1.067); + sigmaMatrix11_[2].push_back(2.936/1.06); + sigmaMatrix11_[2].push_back(3.168/1.055); + sigmaMatrix11_[2].push_back(3.511/1.058); + sigmaMatrix11_[2].push_back(4.329/1.068); + sigmaMatrix11_[2].push_back(5.126/1.071); + sigmaMatrix11_[2].push_back(5.874/1.071); + + sigmaMatrix11_[3].push_back(2.531/1.0936); + sigmaMatrix11_[3].push_back(2.522/1.087); + sigmaMatrix11_[3].push_back(2.586/1.077); + sigmaMatrix11_[3].push_back(2.749/1.069); + sigmaMatrix11_[3].push_back(3.004/1.068); + sigmaMatrix11_[3].push_back(3.64/1.075); + sigmaMatrix11_[3].push_back(4.282/1.078); + sigmaMatrix11_[3].push_back(4.895/1.078); + + sigmaMatrix11_[4].push_back(2.2837/1.1053); + sigmaMatrix11_[4].push_back(2.277/1.098); + sigmaMatrix11_[4].push_back(2.329/1.088); + sigmaMatrix11_[4].push_back(2.46/1.08); + sigmaMatrix11_[4].push_back(2.665/1.078); + sigmaMatrix11_[4].push_back(3.187/1.082); + sigmaMatrix11_[4].push_back(3.727/1.084); + sigmaMatrix11_[4].push_back(4.249/1.084); + + sigmaMatrix11_[5].push_back(2.0838/1.1104); + sigmaMatrix11_[5].push_back(2.081/1.104); + sigmaMatrix11_[5].push_back(2.13/1.096); + sigmaMatrix11_[5].push_back(2.243/1.089); + sigmaMatrix11_[5].push_back(2.417/1.086); + sigmaMatrix11_[5].push_back(2.862/1.089); + sigmaMatrix11_[5].push_back(3.329/1.09); + sigmaMatrix11_[5].push_back(3.786/1.09); + + sigmaMatrix11_[6].push_back(1.922/1.1114); + sigmaMatrix11_[6].push_back(1.924/1.107); + sigmaMatrix11_[6].push_back(1.97/1.1); + sigmaMatrix11_[6].push_back(2.072/1.095); + sigmaMatrix11_[6].push_back(2.225/1.093); + sigmaMatrix11_[6].push_back(2.614/1.095); + sigmaMatrix11_[6].push_back(3.028/1.096); + sigmaMatrix11_[6].push_back(3.435/1.095); + + sigmaMatrix11_[7].push_back(1.7902/1.1104); + sigmaMatrix11_[7].push_back(1.795/1.107); + sigmaMatrix11_[7].push_back(1.84/1.102); + sigmaMatrix11_[7].push_back(1.934/1.099); + sigmaMatrix11_[7].push_back(2.07/1.098); + sigmaMatrix11_[7].push_back(2.417/1.1); + sigmaMatrix11_[7].push_back(2.788/1.1); + sigmaMatrix11_[7].push_back(3.156/1.099); + + sigmaMatrix11_[8].push_back(1.6823/1.1086); + sigmaMatrix11_[8].push_back(1.689/1.106); + sigmaMatrix11_[8].push_back(1.733/1.102); + sigmaMatrix11_[8].push_back(1.82/1.101); + sigmaMatrix11_[8].push_back(1.944/1.101); + sigmaMatrix11_[8].push_back(2.258/1.105); + sigmaMatrix11_[8].push_back(2.596/1.105); + sigmaMatrix11_[8].push_back(2.933/1.104); + + sigmaMatrix11_[9].push_back(1.5929/1.1063); + sigmaMatrix11_[9].push_back(1.601/1.104); + sigmaMatrix11_[9].push_back(1.644/1.103); + sigmaMatrix11_[9].push_back(1.725/1.103); + sigmaMatrix11_[9].push_back(1.838/1.104); + sigmaMatrix11_[9].push_back(2.124/1.108); + sigmaMatrix11_[9].push_back(2.435/1.109); + sigmaMatrix11_[9].push_back(2.746/1.108); + + sigmaMatrix11_[10].push_back(1.4551/1.102); + sigmaMatrix11_[10].push_back(1.465/1.102); + sigmaMatrix11_[10].push_back(1.504/1.103); + sigmaMatrix11_[10].push_back(1.574/1.105); + sigmaMatrix11_[10].push_back(1.67/1.107); + sigmaMatrix11_[10].push_back(1.913/1.112); + sigmaMatrix11_[10].push_back(2.181/1.115); + sigmaMatrix11_[10].push_back(2.451/1.115); + + sigmaMatrix11_[11].push_back(1.3551/1.0985); + sigmaMatrix11_[11].push_back(1.365/1.099); + sigmaMatrix11_[11].push_back(1.4/1.101); + sigmaMatrix11_[11].push_back(1.461/1.104); + sigmaMatrix11_[11].push_back(1.544/1.108); + sigmaMatrix11_[11].push_back(1.754/1.115); + sigmaMatrix11_[11].push_back(1.989/1.119); + sigmaMatrix11_[11].push_back(2.228/1.12); + + sigmaMatrix11_[12].push_back(1.28/1.096); + sigmaMatrix11_[12].push_back(1.289/1.096); + sigmaMatrix11_[12].push_back(1.321/1.099); + sigmaMatrix11_[12].push_back(1.374/1.103); + sigmaMatrix11_[12].push_back(1.447/1.108); + sigmaMatrix11_[12].push_back(1.63/1.116); + sigmaMatrix11_[12].push_back(1.838/1.121); + sigmaMatrix11_[12].push_back(2.053/1.124); + + sigmaMatrix11_[13].push_back(1.2219/1.0943); + sigmaMatrix11_[13].push_back(1.231/1.095); + sigmaMatrix11_[13].push_back(1.259/1.099); + sigmaMatrix11_[13].push_back(1.306/1.102); + sigmaMatrix11_[13].push_back(1.37/1.108); + sigmaMatrix11_[13].push_back(1.532/1.117); + sigmaMatrix11_[13].push_back(1.718/1.123); + sigmaMatrix11_[13].push_back(1.912/1.126); + + sigmaMatrix11_[14].push_back(1.1757/1.0934); + sigmaMatrix11_[14].push_back(1.184/1.094); + sigmaMatrix11_[14].push_back(1.209/1.097); + sigmaMatrix11_[14].push_back(1.251/1.102); + sigmaMatrix11_[14].push_back(1.307/1.107); + sigmaMatrix11_[14].push_back(1.451/1.116); + sigmaMatrix11_[14].push_back(1.618/1.123); + sigmaMatrix11_[14].push_back(1.795/1.128); + + sigmaMatrix11_[15].push_back(1.0933/1.0926); + sigmaMatrix11_[15].push_back(1.1/1.094); + sigmaMatrix11_[15].push_back(1.119/1.097); + sigmaMatrix11_[15].push_back(1.15/1.099); + sigmaMatrix11_[15].push_back(1.193/1.105); + sigmaMatrix11_[15].push_back(1.304/1.115); + sigmaMatrix11_[15].push_back(1.435/1.123); + sigmaMatrix11_[15].push_back(1.578/1.13); + + sigmaMatrix11_[16].push_back(1.0388/1.0934); + sigmaMatrix11_[16].push_back(1.044/1.095); + sigmaMatrix11_[16].push_back(1.059/1.097); + sigmaMatrix11_[16].push_back(1.083/1.099); + sigmaMatrix11_[16].push_back(1.117/1.104); + sigmaMatrix11_[16].push_back(1.204/1.113); + sigmaMatrix11_[16].push_back(1.31/1.122); + sigmaMatrix11_[16].push_back(1.428/1.129); + + sigmaMatrix11_[17].push_back(0.99963/1.0948); + sigmaMatrix11_[17].push_back(1.004/1.096); + sigmaMatrix11_[17].push_back(1.016/1.098); + sigmaMatrix11_[17].push_back(1.035/1.1); + sigmaMatrix11_[17].push_back(1.062/1.103); + sigmaMatrix11_[17].push_back(1.133/1.112); + sigmaMatrix11_[17].push_back(1.22/1.119); + sigmaMatrix11_[17].push_back(1.319/1.127); + + sigmaMatrix11_[18].push_back(0.96988/1.0965); + sigmaMatrix11_[18].push_back(0.9732/1.097); + sigmaMatrix11_[18].push_back(0.983/1.099); + sigmaMatrix11_[18].push_back(0.9991/1.101); + sigmaMatrix11_[18].push_back(1.021/1.104); + sigmaMatrix11_[18].push_back(1.079/1.11); + sigmaMatrix11_[18].push_back(1.153/1.118); + sigmaMatrix11_[18].push_back(1.236/1.126); + + sigmaMatrix11_[19].push_back(0.92676/1.0997); + sigmaMatrix11_[19].push_back(0.9291/1.1); + sigmaMatrix11_[19].push_back(0.936/1.101); + sigmaMatrix11_[19].push_back(0.9473/1.102); + sigmaMatrix11_[19].push_back(0.9628/1.105); + sigmaMatrix11_[19].push_back(1.005/1.11); + sigmaMatrix11_[19].push_back(1.058/1.116); + sigmaMatrix11_[19].push_back(1.121/1.123); + + sigmaMatrix11_[20].push_back(0.89616/1.1025); + sigmaMatrix11_[20].push_back(0.8979/1.103); + sigmaMatrix11_[20].push_back(0.903/1.104); + sigmaMatrix11_[20].push_back(0.9114/1.105); + sigmaMatrix11_[20].push_back(0.923/1.106); + sigmaMatrix11_[20].push_back(0.9545/1.11); + sigmaMatrix11_[20].push_back(0.9955/1.115); + sigmaMatrix11_[20].push_back(1.044/1.121); + + sigmaMatrix11_[21].push_back(0.87272/1.105); + sigmaMatrix11_[21].push_back(0.8741/1.105); + sigmaMatrix11_[21].push_back(0.878/1.106); + sigmaMatrix11_[21].push_back(0.8845/1.107); + sigmaMatrix11_[21].push_back(0.8935/1.108); + sigmaMatrix11_[21].push_back(0.9181/1.111); + sigmaMatrix11_[21].push_back(0.9505/1.115); + sigmaMatrix11_[21].push_back(0.9893/1.12); + + sigmaMatrix11_[22].push_back(0.85379/1.1072); + sigmaMatrix11_[22].push_back(0.8549/1.107); + sigmaMatrix11_[22].push_back(0.858/1.108); + sigmaMatrix11_[22].push_back(0.8632/1.108); + sigmaMatrix11_[22].push_back(0.8703/1.109); + sigmaMatrix11_[22].push_back(0.8901/1.112); + sigmaMatrix11_[22].push_back(0.9164/1.115); + sigmaMatrix11_[22].push_back(0.9482/1.119); + + sigmaMatrix11_[23].push_back(0.83795/1.1091); + sigmaMatrix11_[23].push_back(0.8388/1.109); + sigmaMatrix11_[23].push_back(0.8414/1.109); + sigmaMatrix11_[23].push_back(0.8456/1.11); + sigmaMatrix11_[23].push_back(0.8515/1.111); + sigmaMatrix11_[23].push_back(0.8678/1.113); + sigmaMatrix11_[23].push_back(0.8895/1.115); + sigmaMatrix11_[23].push_back(0.916/1.119); + + sigmaMatrix11_[24].push_back(0.82435/1.1107); + sigmaMatrix11_[24].push_back(0.8251/1.111); + sigmaMatrix11_[24].push_back(0.8273/1.111); + sigmaMatrix11_[24].push_back(0.8308/1.111); + sigmaMatrix11_[24].push_back(0.8356/1.112); + sigmaMatrix11_[24].push_back(0.8493/1.114); + sigmaMatrix11_[24].push_back(0.8676/1.116); + sigmaMatrix11_[24].push_back(0.8901/1.119); + + sigmaMatrix11_[25].push_back(0.80184/1.1133); + sigmaMatrix11_[25].push_back(0.8024/1.114); + sigmaMatrix11_[25].push_back(0.8039/1.113); + sigmaMatrix11_[25].push_back(0.8065/1.114); + sigmaMatrix11_[25].push_back(0.8101/1.114); + sigmaMatrix11_[25].push_back(0.8201/1.115); + sigmaMatrix11_[25].push_back(0.8337/1.117); + sigmaMatrix11_[25].push_back(0.8504/1.119); + + sigmaMatrix11_[26].push_back(0.78363/1.1154); + sigmaMatrix11_[26].push_back(0.784/1.115); + sigmaMatrix11_[26].push_back(0.7852/1.116); + sigmaMatrix11_[26].push_back(0.7872/1.116); + sigmaMatrix11_[26].push_back(0.7899/1.116); + sigmaMatrix11_[26].push_back(0.7976/1.117); + sigmaMatrix11_[26].push_back(0.8081/1.118); + sigmaMatrix11_[26].push_back(0.8212/1.12); + + sigmaMatrix11_[27].push_back(0.76834/1.1172); + sigmaMatrix11_[27].push_back(0.7687/1.117); + sigmaMatrix11_[27].push_back(0.7696/1.117); + sigmaMatrix11_[27].push_back(0.7712/1.118); + sigmaMatrix11_[27].push_back(0.7733/1.118); + sigmaMatrix11_[27].push_back(0.7794/1.118); + sigmaMatrix11_[27].push_back(0.7878/1.119); + sigmaMatrix11_[27].push_back(0.7983/1.12); + + sigmaMatrix11_[28].push_back(0.75518/1.1186); + sigmaMatrix11_[28].push_back(0.7554/1.119); + sigmaMatrix11_[28].push_back(0.7562/1.119); + sigmaMatrix11_[28].push_back(0.7575/1.119); + sigmaMatrix11_[28].push_back(0.7592/1.119); + sigmaMatrix11_[28].push_back(0.7642/1.119); + sigmaMatrix11_[28].push_back(0.7711/1.12); + sigmaMatrix11_[28].push_back(0.7797/1.121); + + sigmaMatrix11_[29].push_back(0.74364/1.1199); + sigmaMatrix11_[29].push_back(0.7438/1.12); + sigmaMatrix11_[29].push_back(0.7445/1.12); + sigmaMatrix11_[29].push_back(0.7455/1.12); + sigmaMatrix11_[29].push_back(0.747/1.12); + sigmaMatrix11_[29].push_back(0.7512/1.121); + sigmaMatrix11_[29].push_back(0.7569/1.121); + sigmaMatrix11_[29].push_back(0.7642/1.122); + + sigmaMatrix11_[30].push_back(0.71982/1.1223); + sigmaMatrix11_[30].push_back(0.72/1.122); + sigmaMatrix11_[30].push_back(0.7204/1.122); + sigmaMatrix11_[30].push_back(0.1211/1.122); + sigmaMatrix11_[30].push_back(0.7221/1.122); + sigmaMatrix11_[30].push_back(0.725/1.123); + sigmaMatrix11_[30].push_back(0.7289/1.123); + sigmaMatrix11_[30].push_back(0.7339/1.124); + + sigmaMatrix11_[31].push_back(0.70097/1.1243); + sigmaMatrix11_[31].push_back(0.7011/1.124); + sigmaMatrix11_[31].push_back(0.7014/1.124); + sigmaMatrix11_[31].push_back(0.7019/1.124); + sigmaMatrix11_[31].push_back(0.7026/1.124); + sigmaMatrix11_[31].push_back(0.7047/1.124); + sigmaMatrix11_[31].push_back(0.7076/1.125); + sigmaMatrix11_[31].push_back(0.7112/1.125); + + sigmaMatrix11_[32].push_back(0.68545/1.1259); + sigmaMatrix11_[32].push_back(0.6855/1.126); + sigmaMatrix11_[32].push_back(0.6858/1.126); + sigmaMatrix11_[32].push_back(0.6861/1.126); + sigmaMatrix11_[32].push_back(0.6867/1.126); + sigmaMatrix11_[32].push_back(0.6883/1.126); + sigmaMatrix11_[32].push_back(0.6905/1.126); + sigmaMatrix11_[32].push_back(0.6932/1.126); + + sigmaMatrix11_[33].push_back(0.67232/1.1273); + sigmaMatrix11_[33].push_back(0.6724/1.127); + sigmaMatrix11_[33].push_back(0.6726/1.127); + sigmaMatrix11_[33].push_back(0.6728/1.127); + sigmaMatrix11_[33].push_back(0.6733/1.127); + sigmaMatrix11_[33].push_back(0.6745/1.127); + sigmaMatrix11_[33].push_back(0.6762/1.127); + sigmaMatrix11_[33].push_back(0.6784/1.128); + + sigmaMatrix11_[34].push_back(0.65099/1.1297); + sigmaMatrix11_[34].push_back(0.651/1.13); + sigmaMatrix11_[34].push_back(0.6512/1.13); + sigmaMatrix11_[34].push_back(0.6513/1.13); + sigmaMatrix11_[34].push_back(0.6516/1.13); + sigmaMatrix11_[34].push_back(0.6524/1.13); + sigmaMatrix11_[34].push_back(0.6534/1.13); + sigmaMatrix11_[34].push_back(0.6546/1.129); + + sigmaMatrix11_[35].push_back(0.61397/1.1339); + sigmaMatrix11_[35].push_back(0.6141/1.134); + sigmaMatrix11_[35].push_back(0.6143/1.134); + sigmaMatrix11_[35].push_back(0.6145/1.135); + sigmaMatrix11_[35].push_back(0.6147/1.135); + sigmaMatrix11_[35].push_back(0.6148/1.134); + sigmaMatrix11_[35].push_back(0.6148/1.134); + sigmaMatrix11_[35].push_back(0.6147/1.132); + + sigmaMatrix11_[36].push_back(0.5887/1.1364); + sigmaMatrix11_[36].push_back(0.5889/1.137); + sigmaMatrix11_[36].push_back(0.5894/1.137); + sigmaMatrix11_[36].push_back(0.59/1.138); + sigmaMatrix11_[36].push_back(0.5903/1.139); + sigmaMatrix11_[36].push_back(0.5901/1.138); + sigmaMatrix11_[36].push_back(0.5895/1.137); + sigmaMatrix11_[36].push_back(0.5885/1.135); + +} + diff --git a/API/Cpp/omega22.H b/API/Cpp/omega22.H new file mode 100644 index 00000000..5feaed9d --- /dev/null +++ b/API/Cpp/omega22.H @@ -0,0 +1,427 @@ +/*############################################################################################## +# # +# ############# ############# ############# #### #### # +# # # # # # # # # # # # +# # ##### # # ######### # ##### # # # # # # +# # # # # # # # # # # # # # # # +# # ##### # # # # ##### # # # # # # +# # # # ######### # # # # # # # +# # # # # # # # # # # # +# # ##### # ######### # # ##### # # # # # # +# # # # # # # # # # # # # # # # +# # # # # ######### # # # # # # ######### # # # +# # # # # # # # # # # # # # # # +# #### #### ############# #### #### ############# #### # +# # +# Author: Stefano Rebughini # +# # +################################################################################################ +# # +# License # +# # +# This file is part of ASALI. # +# # +# ASALI is free software: you can redistribute it and/or modify # +# it under the terms of the GNU General Public License as published by # +# the Free Software Foundation, either version 3 of the License, or # +# (at your option) any later version. # +# # +# ASALI is distributed in the hope that it will be useful, # +# but WITHOUT ANY WARRANTY; without even the implied warranty of # +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # +# GNU General Public License for more details. # +# # +# You should have received a copy of the GNU General Public License # +# along with ASALI. If not, see . # +# # +##############################################################################################*/ + +{ + dsigma22_.push_back(0); + dsigma22_.push_back(0.25); + dsigma22_.push_back(0.5); + dsigma22_.push_back(0.75); + dsigma22_.push_back(1); + dsigma22_.push_back(1.5); + dsigma22_.push_back(2); + dsigma22_.push_back(2.5); +} + +{ + Tsigma22_.push_back(0.1); + Tsigma22_.push_back(0.2); + Tsigma22_.push_back(0.3); + Tsigma22_.push_back(0.4); + Tsigma22_.push_back(0.5); + Tsigma22_.push_back(0.6); + Tsigma22_.push_back(0.7); + Tsigma22_.push_back(0.8); + Tsigma22_.push_back(0.9); + Tsigma22_.push_back(1); + Tsigma22_.push_back(1.2); + Tsigma22_.push_back(1.4); + Tsigma22_.push_back(1.6); + Tsigma22_.push_back(1.8); + Tsigma22_.push_back(2); + Tsigma22_.push_back(2.5); + Tsigma22_.push_back(3); + Tsigma22_.push_back(3.5); + Tsigma22_.push_back(4); + Tsigma22_.push_back(5); + Tsigma22_.push_back(6); + Tsigma22_.push_back(7); + Tsigma22_.push_back(8); + Tsigma22_.push_back(9); + Tsigma22_.push_back(10); + Tsigma22_.push_back(12); + Tsigma22_.push_back(14); + Tsigma22_.push_back(16); + Tsigma22_.push_back(18); + Tsigma22_.push_back(20); + Tsigma22_.push_back(25); + Tsigma22_.push_back(30); + Tsigma22_.push_back(35); + Tsigma22_.push_back(40); + Tsigma22_.push_back(50); + Tsigma22_.push_back(75); + Tsigma22_.push_back(100); +} + + +sigmaMatrix22_.resize(37); +{ + sigmaMatrix22_[0].push_back(4.1005); + sigmaMatrix22_[0].push_back(4.266); + sigmaMatrix22_[0].push_back(4.833); + sigmaMatrix22_[0].push_back(5.742); + sigmaMatrix22_[0].push_back(6.729); + sigmaMatrix22_[0].push_back(8.624); + sigmaMatrix22_[0].push_back(10.34); + sigmaMatrix22_[0].push_back(11.89); + + sigmaMatrix22_[1].push_back(3.2626); + sigmaMatrix22_[1].push_back(3.305); + sigmaMatrix22_[1].push_back(3.516); + sigmaMatrix22_[1].push_back(3.914); + sigmaMatrix22_[1].push_back(4.433); + sigmaMatrix22_[1].push_back(5.57); + sigmaMatrix22_[1].push_back(6.637); + sigmaMatrix22_[1].push_back(7.618); + + sigmaMatrix22_[2].push_back(2.8399); + sigmaMatrix22_[2].push_back(2.836); + sigmaMatrix22_[2].push_back(2.936); + sigmaMatrix22_[2].push_back(3.168); + sigmaMatrix22_[2].push_back(3.511); + sigmaMatrix22_[2].push_back(4.329); + sigmaMatrix22_[2].push_back(5.126); + sigmaMatrix22_[2].push_back(5.874); + + sigmaMatrix22_[3].push_back(2.531); + sigmaMatrix22_[3].push_back(2.522); + sigmaMatrix22_[3].push_back(2.586); + sigmaMatrix22_[3].push_back(2.749); + sigmaMatrix22_[3].push_back(3.004); + sigmaMatrix22_[3].push_back(3.64); + sigmaMatrix22_[3].push_back(4.282); + sigmaMatrix22_[3].push_back(4.895); + + sigmaMatrix22_[4].push_back(2.2837); + sigmaMatrix22_[4].push_back(2.277); + sigmaMatrix22_[4].push_back(2.329); + sigmaMatrix22_[4].push_back(2.46); + sigmaMatrix22_[4].push_back(2.665); + sigmaMatrix22_[4].push_back(3.187); + sigmaMatrix22_[4].push_back(3.727); + sigmaMatrix22_[4].push_back(4.249); + + sigmaMatrix22_[5].push_back(2.0838); + sigmaMatrix22_[5].push_back(2.081); + sigmaMatrix22_[5].push_back(2.13); + sigmaMatrix22_[5].push_back(2.243); + sigmaMatrix22_[5].push_back(2.417); + sigmaMatrix22_[5].push_back(2.862); + sigmaMatrix22_[5].push_back(3.329); + sigmaMatrix22_[5].push_back(3.786); + + sigmaMatrix22_[6].push_back(1.922); + sigmaMatrix22_[6].push_back(1.924); + sigmaMatrix22_[6].push_back(1.97); + sigmaMatrix22_[6].push_back(2.072); + sigmaMatrix22_[6].push_back(2.225); + sigmaMatrix22_[6].push_back(2.614); + sigmaMatrix22_[6].push_back(3.028); + sigmaMatrix22_[6].push_back(3.435); + + sigmaMatrix22_[7].push_back(1.7902); + sigmaMatrix22_[7].push_back(1.795); + sigmaMatrix22_[7].push_back(1.84); + sigmaMatrix22_[7].push_back(1.934); + sigmaMatrix22_[7].push_back(2.07); + sigmaMatrix22_[7].push_back(2.417); + sigmaMatrix22_[7].push_back(2.788); + sigmaMatrix22_[7].push_back(3.156); + + sigmaMatrix22_[8].push_back(1.6823); + sigmaMatrix22_[8].push_back(1.689); + sigmaMatrix22_[8].push_back(1.733); + sigmaMatrix22_[8].push_back(1.82); + sigmaMatrix22_[8].push_back(1.944); + sigmaMatrix22_[8].push_back(2.258); + sigmaMatrix22_[8].push_back(2.596); + sigmaMatrix22_[8].push_back(2.933); + + sigmaMatrix22_[9].push_back(1.5929); + sigmaMatrix22_[9].push_back(1.601); + sigmaMatrix22_[9].push_back(1.644); + sigmaMatrix22_[9].push_back(1.725); + sigmaMatrix22_[9].push_back(1.838); + sigmaMatrix22_[9].push_back(2.124); + sigmaMatrix22_[9].push_back(2.435); + sigmaMatrix22_[9].push_back(2.746); + + sigmaMatrix22_[10].push_back(1.4551); + sigmaMatrix22_[10].push_back(1.465); + sigmaMatrix22_[10].push_back(1.504); + sigmaMatrix22_[10].push_back(1.574); + sigmaMatrix22_[10].push_back(1.67); + sigmaMatrix22_[10].push_back(1.913); + sigmaMatrix22_[10].push_back(2.181); + sigmaMatrix22_[10].push_back(2.451); + + sigmaMatrix22_[11].push_back(1.3551); + sigmaMatrix22_[11].push_back(1.365); + sigmaMatrix22_[11].push_back(1.4); + sigmaMatrix22_[11].push_back(1.461); + sigmaMatrix22_[11].push_back(1.544); + sigmaMatrix22_[11].push_back(1.754); + sigmaMatrix22_[11].push_back(1.989); + sigmaMatrix22_[11].push_back(2.228); + + sigmaMatrix22_[12].push_back(1.28); + sigmaMatrix22_[12].push_back(1.289); + sigmaMatrix22_[12].push_back(1.321); + sigmaMatrix22_[12].push_back(1.374); + sigmaMatrix22_[12].push_back(1.447); + sigmaMatrix22_[12].push_back(1.63); + sigmaMatrix22_[12].push_back(1.838); + sigmaMatrix22_[12].push_back(2.053); + + sigmaMatrix22_[13].push_back(1.2219); + sigmaMatrix22_[13].push_back(1.231); + sigmaMatrix22_[13].push_back(1.259); + sigmaMatrix22_[13].push_back(1.306); + sigmaMatrix22_[13].push_back(1.37); + sigmaMatrix22_[13].push_back(1.532); + sigmaMatrix22_[13].push_back(1.718); + sigmaMatrix22_[13].push_back(1.912); + + sigmaMatrix22_[14].push_back(1.1757); + sigmaMatrix22_[14].push_back(1.184); + sigmaMatrix22_[14].push_back(1.209); + sigmaMatrix22_[14].push_back(1.251); + sigmaMatrix22_[14].push_back(1.307); + sigmaMatrix22_[14].push_back(1.451); + sigmaMatrix22_[14].push_back(1.618); + sigmaMatrix22_[14].push_back(1.795); + + sigmaMatrix22_[15].push_back(1.0933); + sigmaMatrix22_[15].push_back(1.1); + sigmaMatrix22_[15].push_back(1.119); + sigmaMatrix22_[15].push_back(1.15); + sigmaMatrix22_[15].push_back(1.193); + sigmaMatrix22_[15].push_back(1.304); + sigmaMatrix22_[15].push_back(1.435); + sigmaMatrix22_[15].push_back(1.578); + + sigmaMatrix22_[16].push_back(1.0388); + sigmaMatrix22_[16].push_back(1.044); + sigmaMatrix22_[16].push_back(1.059); + sigmaMatrix22_[16].push_back(1.083); + sigmaMatrix22_[16].push_back(1.117); + sigmaMatrix22_[16].push_back(1.204); + sigmaMatrix22_[16].push_back(1.31); + sigmaMatrix22_[16].push_back(1.428); + + sigmaMatrix22_[17].push_back(0.99963); + sigmaMatrix22_[17].push_back(1.004); + sigmaMatrix22_[17].push_back(1.016); + sigmaMatrix22_[17].push_back(1.035); + sigmaMatrix22_[17].push_back(1.062); + sigmaMatrix22_[17].push_back(1.133); + sigmaMatrix22_[17].push_back(1.22); + sigmaMatrix22_[17].push_back(1.319); + + sigmaMatrix22_[18].push_back(0.96988); + sigmaMatrix22_[18].push_back(0.9732); + sigmaMatrix22_[18].push_back(0.983); + sigmaMatrix22_[18].push_back(0.9991); + sigmaMatrix22_[18].push_back(1.021); + sigmaMatrix22_[18].push_back(1.079); + sigmaMatrix22_[18].push_back(1.153); + sigmaMatrix22_[18].push_back(1.236); + + sigmaMatrix22_[19].push_back(0.92676); + sigmaMatrix22_[19].push_back(0.9291); + sigmaMatrix22_[19].push_back(0.936); + sigmaMatrix22_[19].push_back(0.9473); + sigmaMatrix22_[19].push_back(0.9628); + sigmaMatrix22_[19].push_back(1.005); + sigmaMatrix22_[19].push_back(1.058); + sigmaMatrix22_[19].push_back(1.121); + + sigmaMatrix22_[20].push_back(0.89616); + sigmaMatrix22_[20].push_back(0.8979); + sigmaMatrix22_[20].push_back(0.903); + sigmaMatrix22_[20].push_back(0.9114); + sigmaMatrix22_[20].push_back(0.923); + sigmaMatrix22_[20].push_back(0.9545); + sigmaMatrix22_[20].push_back(0.9955); + sigmaMatrix22_[20].push_back(1.044); + + sigmaMatrix22_[21].push_back(0.87272); + sigmaMatrix22_[21].push_back(0.8741); + sigmaMatrix22_[21].push_back(0.878); + sigmaMatrix22_[21].push_back(0.8845); + sigmaMatrix22_[21].push_back(0.8935); + sigmaMatrix22_[21].push_back(0.9181); + sigmaMatrix22_[21].push_back(0.9505); + sigmaMatrix22_[21].push_back(0.9893); + + sigmaMatrix22_[22].push_back(0.85379); + sigmaMatrix22_[22].push_back(0.8549); + sigmaMatrix22_[22].push_back(0.858); + sigmaMatrix22_[22].push_back(0.8632); + sigmaMatrix22_[22].push_back(0.8703); + sigmaMatrix22_[22].push_back(0.8901); + sigmaMatrix22_[22].push_back(0.9164); + sigmaMatrix22_[22].push_back(0.9482); + + sigmaMatrix22_[23].push_back(0.83795); + sigmaMatrix22_[23].push_back(0.8388); + sigmaMatrix22_[23].push_back(0.8414); + sigmaMatrix22_[23].push_back(0.8456); + sigmaMatrix22_[23].push_back(0.8515); + sigmaMatrix22_[23].push_back(0.8678); + sigmaMatrix22_[23].push_back(0.8895); + sigmaMatrix22_[23].push_back(0.916); + + sigmaMatrix22_[24].push_back(0.82435); + sigmaMatrix22_[24].push_back(0.8251); + sigmaMatrix22_[24].push_back(0.8273); + sigmaMatrix22_[24].push_back(0.8308); + sigmaMatrix22_[24].push_back(0.8356); + sigmaMatrix22_[24].push_back(0.8493); + sigmaMatrix22_[24].push_back(0.8676); + sigmaMatrix22_[24].push_back(0.8901); + + sigmaMatrix22_[25].push_back(0.80184); + sigmaMatrix22_[25].push_back(0.8024); + sigmaMatrix22_[25].push_back(0.8039); + sigmaMatrix22_[25].push_back(0.8065); + sigmaMatrix22_[25].push_back(0.8101); + sigmaMatrix22_[25].push_back(0.8201); + sigmaMatrix22_[25].push_back(0.8337); + sigmaMatrix22_[25].push_back(0.8504); + + sigmaMatrix22_[26].push_back(0.78363); + sigmaMatrix22_[26].push_back(0.784); + sigmaMatrix22_[26].push_back(0.7852); + sigmaMatrix22_[26].push_back(0.7872); + sigmaMatrix22_[26].push_back(0.7899); + sigmaMatrix22_[26].push_back(0.7976); + sigmaMatrix22_[26].push_back(0.8081); + sigmaMatrix22_[26].push_back(0.8212); + + sigmaMatrix22_[27].push_back(0.76834); + sigmaMatrix22_[27].push_back(0.7687); + sigmaMatrix22_[27].push_back(0.7696); + sigmaMatrix22_[27].push_back(0.7712); + sigmaMatrix22_[27].push_back(0.7733); + sigmaMatrix22_[27].push_back(0.7794); + sigmaMatrix22_[27].push_back(0.7878); + sigmaMatrix22_[27].push_back(0.7983); + + sigmaMatrix22_[28].push_back(0.75518); + sigmaMatrix22_[28].push_back(0.7554); + sigmaMatrix22_[28].push_back(0.7562); + sigmaMatrix22_[28].push_back(0.7575); + sigmaMatrix22_[28].push_back(0.7592); + sigmaMatrix22_[28].push_back(0.7642); + sigmaMatrix22_[28].push_back(0.7711); + sigmaMatrix22_[28].push_back(0.7797); + + sigmaMatrix22_[29].push_back(0.74364); + sigmaMatrix22_[29].push_back(0.7438); + sigmaMatrix22_[29].push_back(0.7445); + sigmaMatrix22_[29].push_back(0.7455); + sigmaMatrix22_[29].push_back(0.747); + sigmaMatrix22_[29].push_back(0.7512); + sigmaMatrix22_[29].push_back(0.7569); + sigmaMatrix22_[29].push_back(0.7642); + + sigmaMatrix22_[30].push_back(0.71982); + sigmaMatrix22_[30].push_back(0.72); + sigmaMatrix22_[30].push_back(0.7204); + sigmaMatrix22_[30].push_back(0.1211); + sigmaMatrix22_[30].push_back(0.7221); + sigmaMatrix22_[30].push_back(0.725); + sigmaMatrix22_[30].push_back(0.7289); + sigmaMatrix22_[30].push_back(0.7339); + + sigmaMatrix22_[31].push_back(0.70097); + sigmaMatrix22_[31].push_back(0.7011); + sigmaMatrix22_[31].push_back(0.7014); + sigmaMatrix22_[31].push_back(0.7019); + sigmaMatrix22_[31].push_back(0.7026); + sigmaMatrix22_[31].push_back(0.7047); + sigmaMatrix22_[31].push_back(0.7076); + sigmaMatrix22_[31].push_back(0.7112); + + sigmaMatrix22_[32].push_back(0.68545); + sigmaMatrix22_[32].push_back(0.6855); + sigmaMatrix22_[32].push_back(0.6858); + sigmaMatrix22_[32].push_back(0.6861); + sigmaMatrix22_[32].push_back(0.6867); + sigmaMatrix22_[32].push_back(0.6883); + sigmaMatrix22_[32].push_back(0.6905); + sigmaMatrix22_[32].push_back(0.6932); + + sigmaMatrix22_[33].push_back(0.67232); + sigmaMatrix22_[33].push_back(0.6724); + sigmaMatrix22_[33].push_back(0.6726); + sigmaMatrix22_[33].push_back(0.6728); + sigmaMatrix22_[33].push_back(0.6733); + sigmaMatrix22_[33].push_back(0.6745); + sigmaMatrix22_[33].push_back(0.6762); + sigmaMatrix22_[33].push_back(0.6784); + + sigmaMatrix22_[34].push_back(0.65099); + sigmaMatrix22_[34].push_back(0.651); + sigmaMatrix22_[34].push_back(0.6512); + sigmaMatrix22_[34].push_back(0.6513); + sigmaMatrix22_[34].push_back(0.6516); + sigmaMatrix22_[34].push_back(0.6524); + sigmaMatrix22_[34].push_back(0.6534); + sigmaMatrix22_[34].push_back(0.6546); + + sigmaMatrix22_[35].push_back(0.61397); + sigmaMatrix22_[35].push_back(0.6141); + sigmaMatrix22_[35].push_back(0.6143); + sigmaMatrix22_[35].push_back(0.6145); + sigmaMatrix22_[35].push_back(0.6147); + sigmaMatrix22_[35].push_back(0.6148); + sigmaMatrix22_[35].push_back(0.6148); + sigmaMatrix22_[35].push_back(0.6147); + + sigmaMatrix22_[36].push_back(0.5887); + sigmaMatrix22_[36].push_back(0.5889); + sigmaMatrix22_[36].push_back(0.5894); + sigmaMatrix22_[36].push_back(0.59); + sigmaMatrix22_[36].push_back(0.5903); + sigmaMatrix22_[36].push_back(0.5901); + sigmaMatrix22_[36].push_back(0.5895); + sigmaMatrix22_[36].push_back(0.5885); + +} + diff --git a/API/Cpp/thermo.H b/API/Cpp/thermo.H new file mode 100644 index 00000000..812f30c9 --- /dev/null +++ b/API/Cpp/thermo.H @@ -0,0 +1,8739 @@ +/*############################################################################################## +# # +# ############# ############# ############# #### #### # +# # # # # # # # # # # # +# # ##### # # ######### # ##### # # # # # # +# # # # # # # # # # # # # # # # +# # ##### # # # # ##### # # # # # # +# # # # ######### # # # # # # # +# # # # # # # # # # # # +# # ##### # ######### # # ##### # # # # # # +# # # # # # # # # # # # # # # # +# # # # # ######### # # # # # # ######### # # # +# # # # # # # # # # # # # # # # +# #### #### ############# #### #### ############# #### # +# # +# Author: Stefano Rebughini # +# # +################################################################################################ +# # +# License # +# # +# This file is part of ASALI. # +# # +# ASALI is free software: you can redistribute it and/or modify # +# it under the terms of the GNU General Public License as published by # +# the Free Software Foundation, either version 3 of the License, or # +# (at your option) any later version. # +# # +# ASALI is distributed in the hope that it will be useful, # +# but WITHOUT ANY WARRANTY; without even the implied warranty of # +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # +# GNU General Public License for more details. # +# # +# You should have received a copy of the GNU General Public License # +# along with ASALI. If not, see . # +# # +##############################################################################################*/ + +{ + thermo_.high.resize(483); + thermo_.low.resize(483); + thermo_.name.resize(483); +} + +{ + thermo_.name[0] = "AC3H4"; + thermo_.high[0].push_back(6.64430238e+00); + thermo_.high[0].push_back(1.14987825e-02); + thermo_.high[0].push_back(-4.68099585e-06); + thermo_.high[0].push_back(9.62334222e-10); + thermo_.high[0].push_back(-8.24360065e-14); + thermo_.high[0].push_back(2.07131189e+04); + thermo_.high[0].push_back(-1.35744541e+01); + thermo_.low[0].push_back(1.21562918e+00); + thermo_.low[0].push_back(2.35625008e-02); + thermo_.low[0].push_back(-1.47340944e-05); + thermo_.low[0].push_back(4.68570404e-09); + thermo_.low[0].push_back(-5.99570704e-13); + thermo_.low[0].push_back(2.26674413e+04); + thermo_.low[0].push_back(1.58066578e+01); +} + +{ + thermo_.name[1] = "CH3COOH"; + thermo_.high[1].push_back(7.83491620e+00); + thermo_.high[1].push_back(1.12357063e-02); + thermo_.high[1].push_back(-3.13558070e-06); + thermo_.high[1].push_back(1.59502818e-10); + thermo_.high[1].push_back(3.01357560e-14); + thermo_.high[1].push_back(-5.57414981e+04); + thermo_.high[1].push_back(-1.53809923e+01); + thermo_.low[1].push_back(3.13168541e-01); + thermo_.low[1].push_back(3.25739975e-02); + thermo_.low[1].push_back(-2.58358905e-05); + thermo_.low[1].push_back(1.08925098e-08); + thermo_.low[1].push_back(-1.87287967e-12); + thermo_.low[1].push_back(-5.36203653e+04); + thermo_.low[1].push_back(2.34914872e+01); +} + +{ + thermo_.name[2] = "CH3COCH3"; + thermo_.high[2].push_back(8.22157368e-01); + thermo_.high[2].push_back(3.18964631e-02); + thermo_.high[2].push_back(-1.68324056e-05); + thermo_.high[2].push_back(4.20706053e-09); + thermo_.high[2].push_back(-4.04124926e-13); + thermo_.high[2].push_back(-2.74737271e+04); + thermo_.high[2].push_back(2.17873546e+01); + thermo_.low[2].push_back(1.03654018e+00); + thermo_.low[2].push_back(3.06714184e-02); + thermo_.low[2].push_back(-1.42073099e-05); + thermo_.low[2].push_back(1.70696939e-09); + thermo_.low[2].push_back(4.88764769e-13); + thermo_.low[2].push_back(-2.75037407e+04); + thermo_.low[2].push_back(2.08295464e+01); +} + +{ + thermo_.name[3] = "C2H3CHO"; + thermo_.high[3].push_back(6.70517760e+00); + thermo_.high[3].push_back(1.61222451e-02); + thermo_.high[3].push_back(-7.57298869e-06); + thermo_.high[3].push_back(1.70307233e-09); + thermo_.high[3].push_back(-1.49924851e-13); + thermo_.high[3].push_back(-1.33618589e+04); + thermo_.high[3].push_back(-9.88613663e+00); + thermo_.low[3].push_back(3.40917666e-01); + thermo_.low[3].push_back(3.51200360e-02); + thermo_.low[3].push_back(-2.88391725e-05); + thermo_.low[3].push_back(1.22832633e-08); + thermo_.low[3].push_back(-2.12384107e-12); + thermo_.low[3].push_back(-1.16562372e+04); + thermo_.low[3].push_back(2.26803642e+01); +} + +{ + thermo_.name[4] = "C2H5CHO"; + thermo_.high[4].push_back(-3.19796156e+00); + thermo_.high[4].push_back(4.17401347e-02); + thermo_.high[4].push_back(-2.22156952e-05); + thermo_.high[4].push_back(5.37596466e-09); + thermo_.high[4].push_back(-4.95601240e-13); + thermo_.high[4].push_back(-2.31457657e+04); + thermo_.high[4].push_back(4.43385409e+01); + thermo_.low[4].push_back(4.65967589e+00); + thermo_.low[4].push_back(1.41694770e-02); + thermo_.low[4].push_back(1.40614860e-05); + thermo_.low[4].push_back(-1.58387612e-08); + thermo_.low[4].push_back(4.15675092e-12); + thermo_.low[4].push_back(-2.49373071e+04); + thermo_.low[4].push_back(5.40040975e+00); +} + +{ + thermo_.name[5] = "C4H9CHO"; + thermo_.high[5].push_back(-1.78433179e+00); + thermo_.high[5].push_back(6.31204386e-02); + thermo_.high[5].push_back(-3.60836198e-05); + thermo_.high[5].push_back(9.48321920e-09); + thermo_.high[5].push_back(-9.39522544e-13); + thermo_.high[5].push_back(-2.97113508e+04); + thermo_.high[5].push_back(3.92478712e+01); + thermo_.low[5].push_back(5.53299014e+00); + thermo_.low[5].push_back(2.46082180e-02); + thermo_.low[5].push_back(3.99273421e-05); + thermo_.low[5].push_back(-5.71930632e-08); + thermo_.low[5].push_back(2.09934651e-11); + thermo_.low[5].push_back(-3.08235837e+04); + thermo_.low[5].push_back(5.95416540e+00); +} + +{ + thermo_.name[6] = "CH2CHCH2"; + thermo_.high[6].push_back(1.31270112e+01); + thermo_.high[6].push_back(3.37812631e-03); + thermo_.high[6].push_back(1.30787951e-06); + thermo_.high[6].push_back(-8.72502093e-10); + thermo_.high[6].push_back(1.13779857e-13); + thermo_.high[6].push_back(1.38569110e+04); + thermo_.high[6].push_back(-4.71985703e+01); + thermo_.low[6].push_back(1.45788193e-01); + thermo_.low[6].push_back(3.22252886e-02); + thermo_.low[6].push_back(-2.27314224e-05); + thermo_.low[6].push_back(8.03094306e-09); + thermo_.low[6].push_back(-1.12280975e-12); + thermo_.low[6].push_back(1.85301513e+04); + thermo_.low[6].push_back(2.30585168e+01); +} + +{ + thermo_.name[7] = "CHCHCH3"; + thermo_.high[7].push_back(1.00124373e+01); + thermo_.high[7].push_back(7.55815802e-03); + thermo_.high[7].push_back(-1.17096962e-06); + thermo_.high[7].push_back(-2.01794819e-10); + thermo_.high[7].push_back(4.72987983e-14); + thermo_.high[7].push_back(2.78641947e+04); + thermo_.high[7].push_back(-2.75169832e+01); + thermo_.low[7].push_back(6.10512020e-01); + thermo_.low[7].push_back(2.84513252e-02); + thermo_.low[7].push_back(-1.85819423e-05); + thermo_.low[7].push_back(6.24671358e-09); + thermo_.low[7].push_back(-8.48327368e-13); + thermo_.low[7].push_back(3.12488878e+04); + thermo_.low[7].push_back(2.33681976e+01); +} + +{ + thermo_.name[8] = "CH2CCH3"; + thermo_.high[8].push_back(1.00124373e+01); + thermo_.high[8].push_back(7.55815802e-03); + thermo_.high[8].push_back(-1.17096962e-06); + thermo_.high[8].push_back(-2.01794819e-10); + thermo_.high[8].push_back(4.72987983e-14); + thermo_.high[8].push_back(2.78641947e+04); + thermo_.high[8].push_back(-2.75169832e+01); + thermo_.low[8].push_back(6.10512020e-01); + thermo_.low[8].push_back(2.84513252e-02); + thermo_.low[8].push_back(-1.85819423e-05); + thermo_.low[8].push_back(6.24671358e-09); + thermo_.low[8].push_back(-8.48327368e-13); + thermo_.low[8].push_back(3.12488878e+04); + thermo_.low[8].push_back(2.33681976e+01); +} + +{ + thermo_.name[9] = "AR"; + thermo_.high[9].push_back(2.50000000e+00); + thermo_.high[9].push_back(7.40336223e-15); + thermo_.high[9].push_back(-5.56967416e-18); + thermo_.high[9].push_back(1.73924876e-21); + thermo_.high[9].push_back(-1.92673709e-25); + thermo_.high[9].push_back(-7.45375000e+02); + thermo_.high[9].push_back(4.36600000e+00); + thermo_.low[9].push_back(2.50000000e+00); + thermo_.low[9].push_back(-4.07455160e-15); + thermo_.low[9].push_back(5.98527266e-18); + thermo_.low[9].push_back(-3.43074982e-21); + thermo_.low[9].push_back(6.74775716e-25); + thermo_.low[9].push_back(-7.45375000e+02); + thermo_.low[9].push_back(4.36600000e+00); +} + +{ + thermo_.name[10] = "C6H5CH2OH"; + thermo_.high[10].push_back(1.25818443e+01); + thermo_.high[10].push_back(2.64134519e-02); + thermo_.high[10].push_back(-7.93799879e-06); + thermo_.high[10].push_back(4.38368241e-10); + thermo_.high[10].push_back(8.64078959e-14); + thermo_.high[10].push_back(-1.87828963e+04); + thermo_.high[10].push_back(-3.81332333e+01); + thermo_.low[10].push_back(-6.02884975e+00); + thermo_.low[10].push_back(7.77532977e-02); + thermo_.low[10].push_back(-6.10481840e-05); + thermo_.low[10].push_back(2.48568442e-08); + thermo_.low[10].push_back(-4.12367417e-12); + thermo_.low[10].push_back(-1.33857950e+04); + thermo_.low[10].push_back(5.85676633e+01); +} + +{ + thermo_.name[11] = "C6H4O2"; + thermo_.high[11].push_back(1.74929577e+01); + thermo_.high[11].push_back(1.29021286e-02); + thermo_.high[11].push_back(-2.02976642e-06); + thermo_.high[11].push_back(-3.72417846e-10); + thermo_.high[11].push_back(8.59745727e-14); + thermo_.high[11].push_back(-2.22100459e+04); + thermo_.high[11].push_back(-6.49015838e+01); + thermo_.low[11].push_back(-5.23446578e+00); + thermo_.low[11].push_back(7.73770890e-02); + thermo_.low[11].push_back(-7.06201498e-05); + thermo_.low[11].push_back(3.20580235e-08); + thermo_.low[11].push_back(-5.66410367e-12); + thermo_.low[11].push_back(-1.58009124e+04); + thermo_.low[11].push_back(5.25540058e+01); +} + +{ + thermo_.name[12] = "C6H6"; + thermo_.high[12].push_back(1.57365829e+01); + thermo_.high[12].push_back(1.24444139e-02); + thermo_.high[12].push_back(-2.08242468e-06); + thermo_.high[12].push_back(-1.90555168e-10); + thermo_.high[12].push_back(5.60938650e-14); + thermo_.high[12].push_back(2.37538837e+03); + thermo_.high[12].push_back(-6.60380946e+01); + thermo_.low[12].push_back(-6.33361145e+00); + thermo_.low[12].push_back(6.93997541e-02); + thermo_.low[12].push_back(-5.72004958e-05); + thermo_.low[12].push_back(2.35161421e-08); + thermo_.low[12].push_back(-3.76756698e-12); + thermo_.low[12].push_back(9.21714860e+03); + thermo_.low[12].push_back(5.01102066e+01); +} + +{ + thermo_.name[13] = "C6H5CHO"; + thermo_.high[13].push_back(2.73588480e+01); + thermo_.high[13].push_back(2.45725463e-03); + thermo_.high[13].push_back(5.41130341e-06); + thermo_.high[13].push_back(-2.58531717e-09); + thermo_.high[13].push_back(3.21649872e-13); + thermo_.high[13].push_back(-1.76429542e+04); + thermo_.high[13].push_back(-1.23608292e+02); + thermo_.low[13].push_back(-6.55705980e+00); + thermo_.low[13].push_back(7.91033740e-02); + thermo_.low[13].push_back(-5.95430351e-05); + thermo_.low[13].push_back(2.18795937e-08); + thermo_.low[13].push_back(-3.13384602e-12); + thermo_.low[13].push_back(-5.63672287e+03); + thermo_.low[13].push_back(5.93816475e+01); +} + +{ + thermo_.name[14] = "C6H5C2H4C6H5"; + thermo_.high[14].push_back(2.29999925e+01); + thermo_.high[14].push_back(5.23551496e-02); + thermo_.high[14].push_back(-1.62023052e-05); + thermo_.high[14].push_back(1.06346924e-09); + thermo_.high[14].push_back(1.48747565e-13); + thermo_.high[14].push_back(3.20131872e+03); + thermo_.high[14].push_back(-9.18704227e+01); + thermo_.low[14].push_back(-1.05589612e+01); + thermo_.low[14].push_back(1.45574466e-01); + thermo_.low[14].push_back(-1.13305759e-04); + thermo_.low[14].push_back(4.60187721e-08); + thermo_.low[14].push_back(-7.65599251e-12); + thermo_.low[14].push_back(1.28662974e+04); + thermo_.low[14].push_back(8.22691715e+01); +} + +{ + thermo_.name[15] = "NC4H8"; + thermo_.high[15].push_back(2.98709814e+00); + thermo_.high[15].push_back(3.25282541e-02); + thermo_.high[15].push_back(-1.46250479e-05); + thermo_.high[15].push_back(2.94136385e-09); + thermo_.high[15].push_back(-2.14960813e-13); + thermo_.high[15].push_back(-2.50111901e+03); + thermo_.high[15].push_back(1.03971909e+01); + thermo_.low[15].push_back(-1.05707773e+00); + thermo_.low[15].push_back(4.63544964e-02); + thermo_.low[15].push_back(-3.23509995e-05); + thermo_.low[15].push_back(1.30416212e-08); + thermo_.low[15].push_back(-2.37313546e-12); + thermo_.low[15].push_back(-1.55478186e+03); + thermo_.low[15].push_back(3.05429525e+01); +} + +{ + thermo_.name[16] = "C4H6"; + thermo_.high[16].push_back(9.55395345e+00); + thermo_.high[16].push_back(1.51364811e-02); + thermo_.high[16].push_back(-4.78509457e-06); + thermo_.high[16].push_back(6.14955374e-10); + thermo_.high[16].push_back(-2.23809938e-14); + thermo_.high[16].push_back(8.63284693e+03); + thermo_.high[16].push_back(-2.77966685e+01); + thermo_.low[16].push_back(-1.04533857e+00); + thermo_.low[16].push_back(4.24894928e-02); + thermo_.low[16].push_back(-3.12557510e-05); + thermo_.low[16].push_back(1.20001840e-08); + thermo_.low[16].push_back(-1.85870818e-12); + thermo_.low[16].push_back(1.19186275e+04); + thermo_.low[16].push_back(2.79839806e+01); +} + +{ + thermo_.name[17] = "C"; + thermo_.high[17].push_back(2.48989675e+00); + thermo_.high[17].push_back(5.14965671e-05); + thermo_.high[17].push_back(-7.37912415e-08); + thermo_.high[17].push_back(3.75721674e-11); + thermo_.high[17].push_back(-4.86583734e-15); + thermo_.high[17].push_back(8.54527782e+04); + thermo_.high[17].push_back(4.81783270e+00); + thermo_.low[17].push_back(2.55088394e+00); + thermo_.low[17].push_back(-2.97001640e-04); + thermo_.low[17].push_back(6.72990632e-07); + thermo_.low[17].push_back(-6.73648664e-10); + thermo_.low[17].push_back(2.49141603e-13); + thermo_.low[17].push_back(8.54442400e+04); + thermo_.low[17].push_back(4.54535738e+00); +} + +{ + thermo_.name[18] = "C12H8"; + thermo_.high[18].push_back(2.59652189e+01); + thermo_.high[18].push_back(2.42501190e-02); + thermo_.high[18].push_back(-4.81412894e-06); + thermo_.high[18].push_back(-4.21078741e-10); + thermo_.high[18].push_back(1.47447105e-13); + thermo_.high[18].push_back(1.90778575e+04); + thermo_.high[18].push_back(-1.18254954e+02); + thermo_.low[18].push_back(-9.28199067e+00); + thermo_.low[18].push_back(1.22843712e-01); + thermo_.low[18].push_back(-1.08233982e-04); + thermo_.low[18].push_back(4.77933050e-08); + thermo_.low[18].push_back(-8.28164096e-12); + thermo_.low[18].push_back(2.91585594e+04); + thermo_.low[18].push_back(6.43994840e+01); +} + +{ + thermo_.name[19] = "C2H"; + thermo_.high[19].push_back(2.62706056e+00); + thermo_.high[19].push_back(5.61439161e-03); + thermo_.high[19].push_back(-2.33738366e-06); + thermo_.high[19].push_back(4.29433761e-10); + thermo_.high[19].push_back(-2.92352464e-14); + thermo_.high[19].push_back(6.73836200e+04); + thermo_.high[19].push_back(9.73315238e+00); + thermo_.low[19].push_back(4.71151838e+00); + thermo_.low[19].push_back(9.03752455e-04); + thermo_.low[19].push_back(1.65468342e-06); + thermo_.low[19].push_back(-1.07416966e-09); + thermo_.low[19].push_back(1.83138118e-13); + thermo_.low[19].push_back(6.66457220e+04); + thermo_.low[19].push_back(-1.51333448e+00); +} + +{ + thermo_.name[20] = "C2H2"; + thermo_.high[20].push_back(4.61193612e+00); + thermo_.high[20].push_back(5.01498204e-03); + thermo_.high[20].push_back(-1.65253694e-06); + thermo_.high[20].push_back(2.49922532e-10); + thermo_.high[20].push_back(-1.30568636e-14); + thermo_.high[20].push_back(2.56043843e+04); + thermo_.high[20].push_back(-3.75517096e+00); + thermo_.low[20].push_back(1.83812159e+00); + thermo_.low[20].push_back(1.64533925e-02); + thermo_.low[20].push_back(-1.93408005e-05); + thermo_.low[20].push_back(1.24068047e-08); + thermo_.low[20].push_back(-3.14627391e-12); + thermo_.low[20].push_back(2.61425043e+04); + thermo_.low[20].push_back(9.54239252e+00); +} + +{ + thermo_.name[21] = "C2H4"; + thermo_.high[21].push_back(4.49333672e+00); + thermo_.high[21].push_back(1.00335105e-02); + thermo_.high[21].push_back(-3.62601388e-06); + thermo_.high[21].push_back(5.97613541e-10); + thermo_.high[21].push_back(-3.65481279e-14); + thermo_.high[21].push_back(3.93220822e+03); + thermo_.high[21].push_back(-3.35192020e+00); + thermo_.low[21].push_back(2.66161697e-01); + thermo_.low[21].push_back(1.94272328e-02); + thermo_.low[21].push_back(-1.14541158e-05); + thermo_.low[21].push_back(3.49691054e-09); + thermo_.low[21].push_back(-4.39228267e-13); + thermo_.low[21].push_back(5.45399123e+03); + thermo_.low[21].push_back(1.95264329e+01); +} + +{ + thermo_.name[22] = "C2H5"; + thermo_.high[22].push_back(-1.10489358e+00); + thermo_.high[22].push_back(2.43511913e-02); + thermo_.high[22].push_back(-1.39613152e-05); + thermo_.high[22].push_back(3.89870297e-09); + thermo_.high[22].push_back(-4.17285120e-13); + thermo_.high[22].push_back(1.35030749e+04); + thermo_.high[22].push_back(3.00146907e+01); + thermo_.low[22].push_back(4.99501831e+00); + thermo_.low[22].push_back(-1.05054480e-02); + thermo_.low[22].push_back(6.07314834e-05); + thermo_.low[22].push_back(-6.72372957e-08); + thermo_.low[22].push_back(2.49884287e-11); + thermo_.low[22].push_back(1.26490872e+04); + thermo_.low[22].push_back(2.76182763e+00); +} + +{ + thermo_.name[23] = "C2H6"; + thermo_.high[23].push_back(4.39373503e+00); + thermo_.high[23].push_back(1.52684734e-02); + thermo_.high[23].push_back(-5.82725051e-06); + thermo_.high[23].push_back(1.10377088e-09); + thermo_.high[23].push_back(-8.60486537e-14); + thermo_.high[23].push_back(-1.27269866e+04); + thermo_.high[23].push_back(-3.21997495e+00); + thermo_.low[23].push_back(-2.74461309e-01); + thermo_.low[23].push_back(2.56422430e-02); + thermo_.low[23].push_back(-1.44720586e-05); + thermo_.low[23].push_back(4.30555164e-09); + thermo_.low[23].push_back(-5.30740425e-13); + thermo_.low[23].push_back(-1.10464360e+04); + thermo_.low[23].push_back(2.20452775e+01); +} + +{ + thermo_.name[24] = "C3H2"; + thermo_.high[24].push_back(6.27665898e+00); + thermo_.high[24].push_back(5.58433105e-03); + thermo_.high[24].push_back(-2.45857473e-06); + thermo_.high[24].push_back(5.41223006e-10); + thermo_.high[24].push_back(-4.83608105e-14); + thermo_.high[24].push_back(6.31055207e+04); + thermo_.high[24].push_back(-4.75111128e+00); + thermo_.low[24].push_back(4.26055345e+00); + thermo_.low[24].push_back(1.71049341e-02); + thermo_.low[24].push_back(-2.71455812e-05); + thermo_.low[24].push_back(2.40526578e-08); + thermo_.low[24].push_back(-8.44530180e-12); + thermo_.low[24].push_back(6.33877755e+04); + thermo_.low[24].push_back(4.25633816e+00); +} + +{ + thermo_.name[25] = "C3H3"; + thermo_.high[25].push_back(1.09930471e+01); + thermo_.high[25].push_back(7.79714852e-04); + thermo_.high[25].push_back(1.73957383e-06); + thermo_.high[25].push_back(-7.95864951e-10); + thermo_.high[25].push_back(9.69732207e-14); + thermo_.high[25].push_back(3.74627231e+04); + thermo_.high[25].push_back(-3.40822737e+01); + thermo_.low[25].push_back(3.56039712e+00); + thermo_.low[25].push_back(1.80649474e-02); + thermo_.low[25].push_back(-1.33347569e-05); + thermo_.low[25].push_back(5.04689889e-09); + thermo_.low[25].push_back(-7.52265710e-13); + thermo_.low[25].push_back(4.00195547e+04); + thermo_.low[25].push_back(5.80687271e+00); +} + +{ + thermo_.name[26] = "C3H6"; + thermo_.high[26].push_back(9.21549195e+00); + thermo_.high[26].push_back(1.10096151e-02); + thermo_.high[26].push_back(-2.72165887e-06); + thermo_.high[26].push_back(1.69301120e-10); + thermo_.high[26].push_back(1.25058839e-14); + thermo_.high[26].push_back(-2.15028535e+03); + thermo_.high[26].push_back(-2.75773224e+01); + thermo_.low[26].push_back(-2.61886761e-01); + thermo_.low[26].push_back(3.20704567e-02); + thermo_.low[26].push_back(-2.02723602e-05); + thermo_.low[26].push_back(6.66956086e-09); + thermo_.low[26].push_back(-8.90307969e-13); + thermo_.low[26].push_back(1.26157099e+03); + thermo_.low[26].push_back(2.37162283e+01); +} + +{ + thermo_.name[27] = "C3H8"; + thermo_.high[27].push_back(1.08596364e+01); + thermo_.high[27].push_back(1.35766563e-02); + thermo_.high[27].push_back(-3.19926248e-06); + thermo_.high[27].push_back(1.41615801e-10); + thermo_.high[27].push_back(2.35898562e-14); + thermo_.high[27].push_back(-1.80884704e+04); + thermo_.high[27].push_back(-3.69486914e+01); + thermo_.low[27].push_back(-1.25512725e+00); + thermo_.low[27].push_back(4.04983533e-02); + thermo_.low[27].push_back(-2.56340099e-05); + thermo_.low[27].push_back(8.45078153e-09); + thermo_.low[27].push_back(-1.13046094e-12); + thermo_.low[27].push_back(-1.37271555e+04); + thermo_.low[27].push_back(2.86189366e+01); +} + +{ + thermo_.name[28] = "NC3H7O"; + thermo_.high[28].push_back(9.66226461e+00); + thermo_.high[28].push_back(1.80582994e-02); + thermo_.high[28].push_back(-6.80752580e-06); + thermo_.high[28].push_back(1.22634214e-09); + thermo_.high[28].push_back(-8.79552073e-14); + thermo_.high[28].push_back(-9.72942766e+03); + thermo_.high[28].push_back(-2.55365895e+01); + thermo_.low[28].push_back(-5.52121379e-01); + thermo_.low[28].push_back(4.07569349e-02); + thermo_.low[28].push_back(-2.57230554e-05); + thermo_.low[28].push_back(8.23209384e-09); + thermo_.low[28].push_back(-1.06097628e-12); + thermo_.low[28].push_back(-6.05224870e+03); + thermo_.low[28].push_back(2.97457983e+01); +} + +{ + thermo_.name[29] = "C3H7OOH"; + thermo_.high[29].push_back(1.20273024e+01); + thermo_.high[29].push_back(2.23669330e-02); + thermo_.high[29].push_back(-9.25510611e-06); + thermo_.high[29].push_back(1.83134653e-09); + thermo_.high[29].push_back(-1.43510571e-13); + thermo_.high[29].push_back(-2.87878078e+04); + thermo_.high[29].push_back(-3.43698022e+01); + thermo_.low[29].push_back(1.14029559e+00); + thermo_.low[29].push_back(4.84435961e-02); + thermo_.low[29].push_back(-3.26772586e-05); + thermo_.low[29].push_back(1.11815072e-08); + thermo_.low[29].push_back(-1.54323522e-12); + thermo_.low[29].push_back(-2.51515476e+04); + thermo_.low[29].push_back(2.37368269e+01); +} + +{ + thermo_.name[30] = "C4H2"; + thermo_.high[30].push_back(8.50275797e+00); + thermo_.high[30].push_back(6.97445022e-03); + thermo_.high[30].push_back(-2.53297106e-06); + thermo_.high[30].push_back(4.33287765e-10); + thermo_.high[30].push_back(-2.93611469e-14); + thermo_.high[30].push_back(5.31727553e+04); + thermo_.high[30].push_back(-2.08807943e+01); + thermo_.low[30].push_back(2.90907865e+00); + thermo_.low[30].push_back(2.82837048e-02); + thermo_.low[30].push_back(-3.29747633e-05); + thermo_.low[30].push_back(1.97614098e-08); + thermo_.low[30].push_back(-4.63129497e-12); + thermo_.low[30].push_back(5.43474279e+04); + thermo_.low[30].push_back(6.37839155e+00); +} + +{ + thermo_.name[31] = "C4H3"; + thermo_.high[31].push_back(1.30208969e+01); + thermo_.high[31].push_back(1.53590365e-03); + thermo_.high[31].push_back(1.80568199e-06); + thermo_.high[31].push_back(-9.30237202e-10); + thermo_.high[31].push_back(1.18077197e-13); + thermo_.high[31].push_back(6.01811751e+04); + thermo_.high[31].push_back(-4.25791500e+01); + thermo_.low[31].push_back(2.34662667e+00); + thermo_.low[31].push_back(2.83894138e-02); + thermo_.low[31].push_back(-2.35278181e-05); + thermo_.low[31].push_back(9.69177542e-09); + thermo_.low[31].push_back(-1.55205057e-12); + thermo_.low[31].push_back(6.35755930e+04); + thermo_.low[31].push_back(1.38680560e+01); +} + +{ + thermo_.name[32] = "C4H4"; + thermo_.high[32].push_back(6.36293592e+00); + thermo_.high[32].push_back(1.66610000e-02); + thermo_.high[32].push_back(-7.54220850e-06); + thermo_.high[32].push_back(1.59521425e-09); + thermo_.high[32].push_back(-1.28415834e-13); + thermo_.high[32].push_back(3.13137240e+04); + thermo_.high[32].push_back(-8.19255288e+00); + thermo_.low[32].push_back(4.03184847e-01); + thermo_.low[32].push_back(3.66937767e-02); + thermo_.low[32].push_back(-3.27936077e-05); + thermo_.low[32].push_back(1.57416564e-08); + thermo_.low[32].push_back(-3.10035746e-12); + thermo_.low[32].push_back(3.27321448e+04); + thermo_.low[32].push_back(2.15965194e+01); +} + +{ + thermo_.name[33] = "C4H5"; + thermo_.high[33].push_back(1.90192654e+01); + thermo_.high[33].push_back(-1.91794385e-03); + thermo_.high[33].push_back(4.88814513e-06); + thermo_.high[33].push_back(-1.91833948e-09); + thermo_.high[33].push_back(2.24139237e-13); + thermo_.high[33].push_back(3.48592740e+04); + thermo_.high[33].push_back(-7.70423351e+01); + thermo_.low[33].push_back(-2.01742307e-01); + thermo_.low[33].push_back(4.07954066e-02); + thermo_.low[33].push_back(-3.07063136e-05); + thermo_.low[33].push_back(1.12647934e-08); + thermo_.low[33].push_back(-1.60685144e-12); + thermo_.low[33].push_back(4.17788367e+04); + thermo_.low[33].push_back(2.69857683e+01); +} + +{ + thermo_.name[34] = "CH2C3H5"; + thermo_.high[34].push_back(8.45916998e+00); + thermo_.high[34].push_back(1.93968541e-02); + thermo_.high[34].push_back(-5.99075606e-06); + thermo_.high[34].push_back(3.82147973e-10); + thermo_.high[34].push_back(5.73994806e-14); + thermo_.high[34].push_back(1.98988324e+04); + thermo_.high[34].push_back(-1.80212793e+01); + thermo_.low[34].push_back(-3.29329051e-01); + thermo_.low[34].push_back(4.23733221e-02); + thermo_.low[34].push_back(-2.85167051e-05); + thermo_.low[34].push_back(1.01973763e-08); + thermo_.low[34].push_back(-1.54639600e-12); + thermo_.low[34].push_back(2.25881131e+04); + thermo_.low[34].push_back(2.81156134e+01); +} + +{ + thermo_.name[35] = "SC4H7"; + thermo_.high[35].push_back(8.33017753e+00); + thermo_.high[35].push_back(1.98466503e-02); + thermo_.high[35].push_back(-6.37614062e-06); + thermo_.high[35].push_back(5.28652771e-10); + thermo_.high[35].push_back(3.81103730e-14); + thermo_.high[35].push_back(1.19533850e+04); + thermo_.high[35].push_back(-1.83767118e+01); + thermo_.low[35].push_back(-1.12550124e+00); + thermo_.low[35].push_back(4.64823652e-02); + thermo_.low[35].push_back(-3.45124591e-05); + thermo_.low[35].push_back(1.37381920e-08); + thermo_.low[35].push_back(-2.28751273e-12); + thermo_.low[35].push_back(1.46387978e+04); + thermo_.low[35].push_back(3.05571711e+01); +} + +{ + thermo_.name[36] = "C4H9OOH"; + thermo_.high[36].push_back(1.73966948e+01); + thermo_.high[36].push_back(2.30088698e-02); + thermo_.high[36].push_back(-8.34646932e-06); + thermo_.high[36].push_back(1.39883190e-09); + thermo_.high[36].push_back(-9.01677555e-14); + thermo_.high[36].push_back(-3.38614042e+04); + thermo_.high[36].push_back(-6.23628946e+01); + thermo_.low[36].push_back(1.12895120e+00); + thermo_.low[36].push_back(5.95655969e-02); + thermo_.low[36].push_back(-3.91527000e-05); + thermo_.low[36].push_back(1.29367460e-08); + thermo_.low[36].push_back(-1.71066131e-12); + thermo_.low[36].push_back(-2.80700874e+04); + thermo_.low[36].push_back(2.54997628e+01); +} + +{ + thermo_.name[37] = "CYC5H4O"; + thermo_.high[37].push_back(6.34459579e+00); + thermo_.high[37].push_back(2.39841575e-02); + thermo_.high[37].push_back(-8.32755388e-06); + thermo_.high[37].push_back(8.47127653e-10); + thermo_.high[37].push_back(2.86249484e-14); + thermo_.high[37].push_back(3.08659308e+03); + thermo_.high[37].push_back(-9.73181554e+00); + thermo_.low[37].push_back(-5.14379339e+00); + thermo_.low[37].push_back(6.04552342e-02); + thermo_.low[37].push_back(-5.17455024e-05); + thermo_.low[37].push_back(2.38195872e-08); + thermo_.low[37].push_back(-4.52940274e-12); + thermo_.low[37].push_back(5.98166715e+03); + thermo_.low[37].push_back(4.83481227e+01); +} + +{ + thermo_.name[38] = "C5H7"; + thermo_.high[38].push_back(7.72404525e+00); + thermo_.high[38].push_back(2.56072196e-02); + thermo_.high[38].push_back(-8.76350316e-06); + thermo_.high[38].push_back(8.66193959e-10); + thermo_.high[38].push_back(3.30416650e-14); + thermo_.high[38].push_back(2.30808142e+04); + thermo_.high[38].push_back(-1.69352935e+01); + thermo_.low[38].push_back(2.31765047e-01); + thermo_.low[38].push_back(4.65646468e-02); + thermo_.low[38].push_back(-3.07468184e-05); + thermo_.low[38].push_back(1.11148258e-08); + thermo_.low[38].push_back(-1.75867718e-12); + thermo_.low[38].push_back(2.52236063e+04); + thermo_.low[38].push_back(2.18904247e+01); +} + +{ + thermo_.name[39] = "NC5H11OOH"; + thermo_.high[39].push_back(1.66988185e+01); + thermo_.high[39].push_back(3.44172712e-02); + thermo_.high[39].push_back(-1.43139761e-05); + thermo_.high[39].push_back(2.85300849e-09); + thermo_.high[39].push_back(-2.25350876e-13); + thermo_.high[39].push_back(-3.73755763e+04); + thermo_.high[39].push_back(-5.75775303e+01); + thermo_.low[39].push_back(6.24289371e-02); + thermo_.low[39].push_back(7.52427671e-02); + thermo_.low[39].push_back(-5.18834508e-05); + thermo_.low[39].push_back(1.82188468e-08); + thermo_.low[39].push_back(-2.58207455e-12); + thermo_.low[39].push_back(-3.19521133e+04); + thermo_.low[39].push_back(3.08116402e+01); +} + +{ + thermo_.name[40] = "C6H5"; + thermo_.high[40].push_back(2.37494889e+01); + thermo_.high[40].push_back(-3.74826288e-03); + thermo_.high[40].push_back(7.22829016e-06); + thermo_.high[40].push_back(-2.69927706e-09); + thermo_.high[40].push_back(3.10032681e-13); + thermo_.high[40].push_back(2.93571719e+04); + thermo_.high[40].push_back(-1.07010346e+02); + thermo_.low[40].push_back(-4.30972117e+00); + thermo_.low[40].push_back(6.26640688e-02); + thermo_.low[40].push_back(-5.17175663e-05); + thermo_.low[40].push_back(2.05535263e-08); + thermo_.low[40].push_back(-3.12973113e-12); + thermo_.low[40].push_back(3.88411849e+04); + thermo_.low[40].push_back(4.30825907e+01); +} + +{ + thermo_.name[41] = "C6H5O"; + thermo_.high[41].push_back(1.34428169e+01); + thermo_.high[41].push_back(1.79658729e-02); + thermo_.high[41].push_back(-6.67332779e-06); + thermo_.high[41].push_back(1.12237517e-09); + thermo_.high[41].push_back(-7.10809502e-14); + thermo_.high[41].push_back(4.07683820e+02); + thermo_.high[41].push_back(-4.72500520e+01); + thermo_.low[41].push_back(-4.80707078e+00); + thermo_.low[41].push_back(7.32685627e-02); + thermo_.low[41].push_back(-6.95172935e-05); + thermo_.low[41].push_back(3.28617518e-08); + thermo_.low[41].push_back(-6.08232652e-12); + thermo_.low[41].push_back(5.22565416e+03); + thermo_.low[41].push_back(4.58618544e+01); +} + +{ + thermo_.name[42] = "LC6H6"; + thermo_.high[42].push_back(1.28863876e+01); + thermo_.high[42].push_back(1.90072461e-02); + thermo_.high[42].push_back(-7.30992558e-06); + thermo_.high[42].push_back(1.31482495e-09); + thermo_.high[42].push_back(-9.21385789e-14); + thermo_.high[42].push_back(3.55364843e+04); + thermo_.high[42].push_back(-4.09021933e+01); + thermo_.low[42].push_back(-1.05889383e+00); + thermo_.low[42].push_back(6.36321466e-02); + thermo_.low[42].push_back(-6.08598062e-05); + thermo_.low[42].push_back(2.98747613e-08); + thermo_.low[42].push_back(-5.80412585e-12); + thermo_.low[42].push_back(3.90228046e+04); + thermo_.low[42].push_back(2.94875281e+01); +} + +{ + thermo_.name[43] = "CYC6H10ONE"; + thermo_.high[43].push_back(1.15965428e+01); + thermo_.high[43].push_back(4.02887933e-02); + thermo_.high[43].push_back(-1.86685839e-05); + thermo_.high[43].push_back(4.15568433e-09); + thermo_.high[43].push_back(-3.64030709e-13); + thermo_.high[43].push_back(-3.62221493e+04); + thermo_.high[43].push_back(-4.27468434e+01); + thermo_.low[43].push_back(-6.46490379e+00); + thermo_.low[43].push_back(8.04253413e-02); + thermo_.low[43].push_back(-5.21157073e-05); + thermo_.low[43].push_back(1.65435078e-08); + thermo_.low[43].push_back(-2.08456175e-12); + thermo_.low[43].push_back(-2.97200285e+04); + thermo_.low[43].push_back(5.50054734e+01); +} + +{ + thermo_.name[44] = "C7H7"; + thermo_.high[44].push_back(1.55564029e+01); + thermo_.high[44].push_back(1.97467971e-02); + thermo_.high[44].push_back(-4.90102499e-06); + thermo_.high[44].push_back(-1.06746050e-11); + thermo_.high[44].push_back(9.16513058e-14); + thermo_.high[44].push_back(1.67098727e+04); + thermo_.high[44].push_back(-6.15086686e+01); + thermo_.low[44].push_back(-4.40172355e+00); + thermo_.low[44].push_back(7.48036976e-02); + thermo_.low[44].push_back(-6.18564392e-05); + thermo_.low[44].push_back(2.61757227e-08); + thermo_.low[44].push_back(-4.42324479e-12); + thermo_.low[44].push_back(2.24977294e+04); + thermo_.low[44].push_back(4.21934668e+01); +} + +{ + thermo_.name[45] = "NC7H15OOH"; + thermo_.high[45].push_back(2.73219585e+01); + thermo_.high[45].push_back(3.55870996e-02); + thermo_.high[45].push_back(-1.24650774e-05); + thermo_.high[45].push_back(2.00089265e-09); + thermo_.high[45].push_back(-1.21997682e-13); + thermo_.high[45].push_back(-4.84634178e+04); + thermo_.high[45].push_back(-1.12262056e+02); + thermo_.low[45].push_back(1.16215154e+00); + thermo_.low[45].push_back(9.40447688e-02); + thermo_.low[45].push_back(-6.14519510e-05); + thermo_.low[45].push_back(2.02455383e-08); + thermo_.low[45].push_back(-2.67013255e-12); + thermo_.low[45].push_back(-3.90982069e+04); + thermo_.low[45].push_back(2.91745387e+01); +} + +{ + thermo_.name[46] = "CYC5H8"; + thermo_.high[46].push_back(8.43099915e+00); + thermo_.high[46].push_back(2.71082714e-02); + thermo_.high[46].push_back(-1.07932862e-05); + thermo_.high[46].push_back(1.95387666e-09); + thermo_.high[46].push_back(-1.31111174e-13); + thermo_.high[46].push_back(-1.09862538e+03); + thermo_.high[46].push_back(-2.37608447e+01); + thermo_.low[46].push_back(-6.56863980e+00); + thermo_.low[46].push_back(6.82031726e-02); + thermo_.low[46].push_back(-5.30140751e-05); + thermo_.low[46].push_back(2.12327757e-08); + thermo_.low[46].push_back(-3.43229252e-12); + thermo_.low[46].push_back(3.28126920e+03); + thermo_.low[46].push_back(5.42801525e+01); +} + +{ + thermo_.name[47] = "CYC6H8"; + thermo_.high[47].push_back(8.66772260e+00); + thermo_.high[47].push_back(3.45074855e-02); + thermo_.high[47].push_back(-1.63846780e-05); + thermo_.high[47].push_back(3.69260975e-09); + thermo_.high[47].push_back(-3.24421026e-13); + thermo_.high[47].push_back(5.74022139e+03); + thermo_.high[47].push_back(-2.73566208e+01); + thermo_.low[47].push_back(-6.91358136e+00); + thermo_.low[47].push_back(7.63364895e-02); + thermo_.low[47].push_back(-5.84944135e-05); + thermo_.low[47].push_back(2.25336547e-08); + thermo_.low[47].push_back(-3.48567018e-12); + thermo_.low[47].push_back(1.03834500e+04); + thermo_.low[47].push_back(5.40276160e+01); +} + +{ + thermo_.name[48] = "CYC6H12"; + thermo_.high[48].push_back(1.12578097e+01); + thermo_.high[48].push_back(4.34354098e-02); + thermo_.high[48].push_back(-2.02455774e-05); + thermo_.high[48].push_back(4.54245292e-09); + thermo_.high[48].push_back(-4.01195170e-13); + thermo_.high[48].push_back(-2.30439963e+04); + thermo_.high[48].push_back(-4.47863376e+01); + thermo_.low[48].push_back(-9.43363126e+00); + thermo_.low[48].push_back(8.94163897e-02); + thermo_.low[48].push_back(-5.85630607e-05); + thermo_.low[48].push_back(1.87341134e-08); + thermo_.low[48].push_back(-2.37225913e-12); + thermo_.low[48].push_back(-1.55950776e+04); + thermo_.low[48].push_back(6.72000574e+01); +} + +{ + thermo_.name[49] = "CYC6H10"; + thermo_.high[49].push_back(1.51624858e+01); + thermo_.high[49].push_back(2.76360017e-02); + thermo_.high[49].push_back(-1.05259858e-05); + thermo_.high[49].push_back(1.89586361e-09); + thermo_.high[49].push_back(-1.35054773e-13); + thermo_.high[49].push_back(-9.29985245e+03); + thermo_.high[49].push_back(-6.25064559e+01); + thermo_.low[49].push_back(-6.01517655e+00); + thermo_.low[49].push_back(7.46974737e-02); + thermo_.low[49].push_back(-4.97438791e-05); + thermo_.low[49].push_back(1.64210093e-08); + thermo_.low[49].push_back(-2.15243611e-12); + thermo_.low[49].push_back(-1.67589399e+03); + thermo_.low[49].push_back(5.21114707e+01); +} + +{ + thermo_.name[50] = "CH"; + thermo_.high[50].push_back(1.56762354e+00); + thermo_.high[50].push_back(3.35441204e-03); + thermo_.high[50].push_back(-1.29971595e-06); + thermo_.high[50].push_back(2.40500907e-10); + thermo_.high[50].push_back(-1.78141164e-14); + thermo_.high[50].push_back(7.11686733e+04); + thermo_.high[50].push_back(1.27712404e+01); + thermo_.low[50].push_back(3.85901271e+00); + thermo_.low[50].push_back(-1.97439999e-03); + thermo_.low[50].push_back(3.34750385e-06); + thermo_.low[50].push_back(-1.56074708e-09); + thermo_.low[50].push_back(2.43995183e-13); + thermo_.low[50].push_back(7.03804355e+04); + thermo_.low[50].push_back(4.73936215e-01); +} + +{ + thermo_.name[51] = "CH2"; + thermo_.high[51].push_back(3.24505871e+00); + thermo_.high[51].push_back(2.75395076e-03); + thermo_.high[51].push_back(-7.68471343e-07); + thermo_.high[51].push_back(8.23040037e-11); + thermo_.high[51].push_back(-1.89900250e-15); + thermo_.high[51].push_back(4.54794580e+04); + thermo_.high[51].push_back(4.28187007e+00); + thermo_.low[51].push_back(3.99717917e+00); + thermo_.low[51].push_back(-5.88806826e-04); + thermo_.low[51].push_back(4.80279129e-06); + thermo_.low[51].push_back(-4.04455721e-09); + thermo_.low[51].push_back(1.14445133e-12); + thermo_.low[51].push_back(4.53440763e+04); + thermo_.low[51].push_back(7.32567433e-01); +} + +{ + thermo_.name[52] = "CH2CO"; + thermo_.high[52].push_back(6.03578795e+00); + thermo_.high[52].push_back(5.81722422e-03); + thermo_.high[52].push_back(-1.93206512e-06); + thermo_.high[52].push_back(2.83140054e-10); + thermo_.high[52].push_back(-1.50051612e-14); + thermo_.high[52].push_back(-8.58422380e+03); + thermo_.high[52].push_back(-7.64505060e+00); + thermo_.low[52].push_back(2.49197065e+00); + thermo_.low[52].push_back(1.58706066e-02); + thermo_.low[52].push_back(-1.26271528e-05); + thermo_.low[52].push_back(5.33991909e-09); + thermo_.low[52].push_back(-9.11597189e-13); + thermo_.low[52].push_back(-7.58486732e+03); + thermo_.low[52].push_back(1.06694385e+01); +} + +{ + thermo_.name[53] = "CH2O"; + thermo_.high[53].push_back(1.06639253e+00); + thermo_.high[53].push_back(1.06960337e-02); + thermo_.high[53].push_back(-5.54447373e-06); + thermo_.high[53].push_back(1.36053696e-09); + thermo_.high[53].push_back(-1.28442554e-13); + thermo_.high[53].push_back(-1.46324373e+04); + thermo_.high[53].push_back(1.74071779e+01); + thermo_.low[53].push_back(3.13463322e+00); + thermo_.low[53].push_back(1.80037482e-03); + thermo_.low[53].push_back(8.80336316e-06); + thermo_.low[53].push_back(-8.92465077e-09); + thermo_.low[53].push_back(2.63639286e-12); + thermo_.low[53].push_back(-1.50171301e+04); + thermo_.low[53].push_back(7.57920580e+00); +} + +{ + thermo_.name[54] = "CH2OH"; + thermo_.high[54].push_back(7.61004151e+00); + thermo_.high[54].push_back(1.40239019e-03); + thermo_.high[54].push_back(1.05265418e-06); + thermo_.high[54].push_back(-5.61972284e-10); + thermo_.high[54].push_back(7.11209072e-14); + thermo_.high[54].push_back(-5.04985629e+03); + thermo_.high[54].push_back(-1.55757586e+01); + thermo_.low[54].push_back(1.95857131e+00); + thermo_.low[54].push_back(1.56199253e-02); + thermo_.low[54].push_back(-1.23601148e-05); + thermo_.low[54].push_back(5.06183022e-09); + thermo_.low[54].push_back(-8.13124769e-13); + thermo_.low[54].push_back(-3.25268877e+03); + thermo_.low[54].push_back(1.43100973e+01); +} + +{ + thermo_.name[55] = "CH2S"; + thermo_.high[55].push_back(2.57518275e+00); + thermo_.high[55].push_back(4.11179659e-03); + thermo_.high[55].push_back(-1.68232435e-06); + thermo_.high[55].push_back(3.44404948e-10); + thermo_.high[55].push_back(-2.93085968e-14); + thermo_.high[55].push_back(5.01958500e+04); + thermo_.high[55].push_back(6.99914504e+00); + thermo_.low[55].push_back(4.62572654e+00); + thermo_.low[55].push_back(-5.00173140e-03); + thermo_.low[55].push_back(1.35068890e-05); + thermo_.low[55].push_back(-1.09068642e-08); + thermo_.low[55].push_back(3.09604394e-12); + thermo_.low[55].push_back(4.98267521e+04); + thermo_.low[55].push_back(-2.67749711e+00); +} + +{ + thermo_.name[56] = "CH3"; + thermo_.high[56].push_back(2.57723974e+00); + thermo_.high[56].push_back(6.62601164e-03); + thermo_.high[56].push_back(-2.54906392e-06); + thermo_.high[56].push_back(4.67320141e-10); + thermo_.high[56].push_back(-3.34867663e-14); + thermo_.high[56].push_back(1.65488693e+04); + thermo_.high[56].push_back(6.94195966e+00); + thermo_.low[56].push_back(3.53327401e+00); + thermo_.low[56].push_back(3.61488008e-03); + thermo_.low[56].push_back(1.00739068e-06); + thermo_.low[56].push_back(-1.39958516e-09); + thermo_.low[56].push_back(3.34014277e-13); + thermo_.low[56].push_back(1.63060366e+04); + thermo_.low[56].push_back(2.10113860e+00); +} + +{ + thermo_.name[57] = "CH3CO"; + thermo_.high[57].push_back(5.59449005e+00); + thermo_.high[57].push_back(8.95063669e-03); + thermo_.high[57].push_back(-3.42706569e-06); + thermo_.high[57].push_back(6.39554414e-10); + thermo_.high[57].push_back(-4.91680987e-14); + thermo_.high[57].push_back(-5.31931220e+03); + thermo_.high[57].push_back(-3.46466160e+00); + thermo_.low[57].push_back(1.83189171e+00); + thermo_.low[57].push_back(1.73119663e-02); + thermo_.low[57].push_back(-1.03948404e-05); + thermo_.low[57].push_back(3.22021171e-09); + thermo_.low[57].push_back(-4.07592723e-13); + thermo_.low[57].push_back(-3.96477680e+03); + thermo_.low[57].push_back(1.68993055e+01); +} + +{ + thermo_.name[58] = "CH3O"; + thermo_.high[58].push_back(6.88420582e-01); + thermo_.high[58].push_back(1.44971301e-02); + thermo_.high[58].push_back(-7.59068052e-06); + thermo_.high[58].push_back(1.92522389e-09); + thermo_.high[58].push_back(-1.90011116e-13); + thermo_.high[58].push_back(1.18330404e+03); + thermo_.high[58].push_back(1.95838279e+01); + thermo_.low[58].push_back(2.13962537e+00); + thermo_.low[58].push_back(6.20453130e-03); + thermo_.low[58].push_back(1.01791740e-05); + thermo_.low[58].push_back(-1.49984471e-08); + thermo_.low[58].push_back(5.85415708e-12); + thermo_.low[58].push_back(9.80135371e+02); + thermo_.low[58].push_back(1.31002120e+01); +} + +{ + thermo_.name[59] = "CH3OH"; + thermo_.high[59].push_back(9.34193000e-01); + thermo_.high[59].push_back(1.60266556e-02); + thermo_.high[59].push_back(-8.00101466e-06); + thermo_.high[59].push_back(1.97129714e-09); + thermo_.high[59].push_back(-1.91599484e-13); + thermo_.high[59].push_back(-2.50979789e+04); + thermo_.high[59].push_back(1.91008457e+01); + thermo_.low[59].push_back(2.88895785e+00); + thermo_.low[59].push_back(4.85657077e-03); + thermo_.low[59].push_back(1.59348814e-05); + thermo_.low[59].push_back(-2.08247943e-08); + thermo_.low[59].push_back(7.94986176e-12); + thermo_.low[59].push_back(-2.53716460e+04); + thermo_.low[59].push_back(1.03674509e+01); +} + +{ + thermo_.name[60] = "CH4"; + thermo_.high[60].push_back(-2.82321416e-01); + thermo_.high[60].push_back(1.42739336e-02); + thermo_.high[60].push_back(-6.77628877e-06); + thermo_.high[60].push_back(1.55380951e-09); + thermo_.high[60].push_back(-1.39473841e-13); + thermo_.high[60].push_back(-9.36383584e+03); + thermo_.high[60].push_back(2.03507024e+01); + thermo_.low[60].push_back(2.85765313e+00); + thermo_.low[60].push_back(2.53571100e-03); + thermo_.low[60].push_back(9.67916346e-06); + thermo_.low[60].push_back(-8.69880870e-09); + thermo_.low[60].push_back(2.25599770e-12); + thermo_.low[60].push_back(-1.00357904e+04); + thermo_.low[60].push_back(4.98969392e+00); +} + +{ + thermo_.name[61] = "CO"; + thermo_.high[61].push_back(2.68595014e+00); + thermo_.high[61].push_back(2.12486373e-03); + thermo_.high[61].push_back(-1.04548608e-06); + thermo_.high[61].push_back(2.45538864e-10); + thermo_.high[61].push_back(-2.22550981e-14); + thermo_.high[61].push_back(-1.41423615e+04); + thermo_.high[61].push_back(7.96579426e+00); + thermo_.low[61].push_back(3.81890943e+00); + thermo_.low[61].push_back(-2.40697343e-03); + thermo_.low[61].push_back(5.75226966e-06); + thermo_.low[61].push_back(-4.28629830e-09); + thermo_.low[61].push_back(1.11070419e-12); + thermo_.low[61].push_back(-1.43689533e+04); + thermo_.low[61].push_back(2.49992060e+00); +} + +{ + thermo_.name[62] = "CO2"; + thermo_.high[62].push_back(5.07830985e+00); + thermo_.high[62].push_back(2.05366041e-03); + thermo_.high[62].push_back(-5.94311265e-07); + thermo_.high[62].push_back(5.38675131e-11); + thermo_.high[62].push_back(1.66346855e-15); + thermo_.high[62].push_back(-4.92442103e+04); + thermo_.high[62].push_back(-4.47815290e+00); + thermo_.low[62].push_back(2.44892797e+00); + thermo_.low[62].push_back(8.54596135e-03); + thermo_.low[62].push_back(-6.60570102e-06); + thermo_.low[62].push_back(2.52769046e-09); + thermo_.low[62].push_back(-3.80099332e-13); + thermo_.low[62].push_back(-4.83922906e+04); + thermo_.low[62].push_back(9.47557732e+00); +} + +{ + thermo_.name[63] = "CYC5H6"; + thermo_.high[63].push_back(1.70141558e+00); + thermo_.high[63].push_back(3.79065957e-02); + thermo_.high[63].push_back(-2.19495256e-05); + thermo_.high[63].push_back(6.12706526e-09); + thermo_.high[63].push_back(-6.63672518e-13); + thermo_.high[63].push_back(1.38484401e+04); + thermo_.high[63].push_back(1.22453451e+01); + thermo_.low[63].push_back(-6.32922867e+00); + thermo_.low[63].push_back(6.93993183e-02); + thermo_.low[63].push_back(-6.82623529e-05); + thermo_.low[63].push_back(3.63968870e-08); + thermo_.low[63].push_back(-8.08274648e-12); + thermo_.low[63].push_back(1.54866915e+04); + thermo_.low[63].push_back(5.11475893e+01); +} + +{ + thermo_.name[64] = "MCPTD"; + thermo_.high[64].push_back(1.14154101e+01); + thermo_.high[64].push_back(2.70830264e-02); + thermo_.high[64].push_back(-1.13419491e-05); + thermo_.high[64].push_back(2.30157826e-09); + thermo_.high[64].push_back(-1.86056675e-13); + thermo_.high[64].push_back(6.23040748e+03); + thermo_.high[64].push_back(-4.10347479e+01); + thermo_.low[64].push_back(-6.52219774e+00); + thermo_.low[64].push_back(7.36742157e-02); + thermo_.low[64].push_back(-5.67229776e-05); + thermo_.low[64].push_back(2.19470452e-08); + thermo_.low[64].push_back(-3.37525585e-12); + thermo_.low[64].push_back(1.17551907e+04); + thermo_.low[64].push_back(5.32489849e+01); +} + +{ + thermo_.name[65] = "CRESOL"; + thermo_.high[65].push_back(1.22673687e+01); + thermo_.high[65].push_back(3.34155283e-02); + thermo_.high[65].push_back(-1.38949871e-05); + thermo_.high[65].push_back(2.56768166e-09); + thermo_.high[65].push_back(-1.71519559e-13); + thermo_.high[65].push_back(-2.17187243e+04); + thermo_.high[65].push_back(-3.95715124e+01); + thermo_.low[65].push_back(-4.41843936e+00); + thermo_.low[65].push_back(8.43645604e-02); + thermo_.low[65].push_back(-7.22335735e-05); + thermo_.low[65].push_back(3.22565297e-08); + thermo_.low[65].push_back(-5.83733025e-12); + thermo_.low[65].push_back(-1.73470426e+04); + thermo_.low[65].push_back(4.54334869e+01); +} + +{ + thermo_.name[66] = "NC10H20"; + thermo_.high[66].push_back(2.82971791e+01); + thermo_.high[66].push_back(4.89478938e-02); + thermo_.high[66].push_back(-1.82737062e-05); + thermo_.high[66].push_back(3.23575201e-09); + thermo_.high[66].push_back(-2.26811843e-13); + thermo_.high[66].push_back(-3.12534582e+04); + thermo_.high[66].push_back(-1.16784058e+02); + thermo_.low[66].push_back(-2.31417710e+00); + thermo_.low[66].push_back(1.16973130e-01); + thermo_.low[66].push_back(-7.49614029e-05); + thermo_.low[66].push_back(2.42311952e-08); + thermo_.low[66].push_back(-3.14284562e-12); + thermo_.low[66].push_back(-2.02333700e+04); + thermo_.low[66].push_back(4.88909878e+01); +} + +{ + thermo_.name[67] = "C6H5CH2C6H5"; + thermo_.high[67].push_back(2.36600260e+01); + thermo_.high[67].push_back(4.20961068e-02); + thermo_.high[67].push_back(-1.18756749e-05); + thermo_.high[67].push_back(4.02369975e-10); + thermo_.high[67].push_back(1.68531444e-13); + thermo_.high[67].push_back(4.50897730e+03); + thermo_.high[67].push_back(-9.76688099e+01); + thermo_.low[67].push_back(-1.18613481e+01); + thermo_.low[67].push_back(1.40766591e-01); + thermo_.low[67].push_back(-1.14657429e-04); + thermo_.low[67].push_back(4.79865153e-08); + thermo_.low[67].push_back(-8.09260490e-12); + thermo_.low[67].push_back(1.47391331e+04); + thermo_.low[67].push_back(8.66539117e+01); +} + +{ + thermo_.name[68] = "DIPE"; + thermo_.high[68].push_back(1.11573928e+01); + thermo_.high[68].push_back(4.99175659e-02); + thermo_.high[68].push_back(-2.25561386e-05); + thermo_.high[68].push_back(4.38444843e-09); + thermo_.high[68].push_back(-3.06549364e-13); + thermo_.high[68].push_back(-4.59357929e+04); + thermo_.high[68].push_back(-3.06117763e+01); + thermo_.low[68].push_back(-2.50745274e+00); + thermo_.low[68].push_back(8.95258138e-02); + thermo_.low[68].push_back(-6.56085820e-05); + thermo_.low[68].push_back(2.51827303e-08); + thermo_.low[68].push_back(-4.07435404e-12); + thermo_.low[68].push_back(-4.21642955e+04); + thermo_.low[68].push_back(3.97144256e+01); +} + +{ + thermo_.name[69] = "MTBEO"; + thermo_.high[69].push_back(1.51388759e+01); + thermo_.high[69].push_back(2.99979380e-02); + thermo_.high[69].push_back(-1.22799224e-05); + thermo_.high[69].push_back(2.46100800e-09); + thermo_.high[69].push_back(-1.97690794e-13); + thermo_.high[69].push_back(-5.39879921e+04); + thermo_.high[69].push_back(-5.57113238e+01); + thermo_.low[69].push_back(-5.03717524e+00); + thermo_.low[69].push_back(8.30928094e-02); + thermo_.low[69].push_back(-6.46761770e-05); + thermo_.low[69].push_back(2.54418214e-08); + thermo_.low[69].push_back(-3.97742985e-12); + thermo_.low[69].push_back(-4.78544725e+04); + thermo_.low[69].push_back(5.00743811e+01); +} + +{ + thermo_.name[70] = "CH3OCH3"; + thermo_.high[70].push_back(8.15389478e-01); + thermo_.high[70].push_back(2.72675400e-02); + thermo_.high[70].push_back(-1.40181429e-05); + thermo_.high[70].push_back(3.43685384e-09); + thermo_.high[70].push_back(-3.25542356e-13); + thermo_.high[70].push_back(-2.31745898e+04); + thermo_.high[70].push_back(1.99239256e+01); + thermo_.low[70].push_back(1.74097325e+00); + thermo_.low[70].push_back(2.19784899e-02); + thermo_.low[70].push_back(-2.68446400e-06); + thermo_.low[70].push_back(-7.35712603e-09); + thermo_.low[70].push_back(3.52945045e-12); + thermo_.low[70].push_back(-2.33041715e+04); + thermo_.low[70].push_back(1.57886515e+01); +} + +{ + thermo_.name[71] = "CH3CH3C5H6"; + thermo_.high[71].push_back(1.53755546e+01); + thermo_.high[71].push_back(3.27318283e-02); + thermo_.high[71].push_back(-1.05955708e-05); + thermo_.high[71].push_back(1.52102630e-09); + thermo_.high[71].push_back(-7.69415914e-14); + thermo_.high[71].push_back(-6.19682930e+03); + thermo_.high[71].push_back(-5.37226046e+01); + thermo_.low[71].push_back(-1.29247813e+00); + thermo_.low[71].push_back(8.36265847e-02); + thermo_.low[71].push_back(-6.88720094e-05); + thermo_.low[71].push_back(3.11782470e-08); + thermo_.low[71].push_back(-5.73671653e-12); + thermo_.low[71].push_back(-1.82980473e+03); + thermo_.low[71].push_back(3.11918393e+01); +} + +{ + thermo_.name[72] = "C6H5C2H5"; + thermo_.high[72].push_back(1.53992430e+01); + thermo_.high[72].push_back(3.11284429e-02); + thermo_.high[72].push_back(-9.32920034e-06); + thermo_.high[72].push_back(5.29654938e-10); + thermo_.high[72].push_back(9.71609974e-14); + thermo_.high[72].push_back(-4.32725762e+03); + thermo_.high[72].push_back(-5.77491740e+01); + thermo_.low[72].push_back(-6.11786341e+00); + thermo_.low[72].push_back(9.08981829e-02); + thermo_.low[72].push_back(-7.15893461e-05); + thermo_.low[72].push_back(2.93537965e-08); + thermo_.low[72].push_back(-4.90703025e-12); + thermo_.low[72].push_back(1.86966902e+03); + thermo_.low[72].push_back(5.39044909e+01); +} + +{ + thermo_.name[73] = "NC7H14"; + thermo_.high[73].push_back(1.82668105e+01); + thermo_.high[73].push_back(3.59607890e-02); + thermo_.high[73].push_back(-1.37346402e-05); + thermo_.high[73].push_back(2.52229050e-09); + thermo_.high[73].push_back(-1.85248240e-13); + thermo_.high[73].push_back(-1.87497345e+04); + thermo_.high[73].push_back(-6.92309265e+01); + thermo_.low[73].push_back(-1.22797309e+00); + thermo_.low[73].push_back(7.92825302e-02); + thermo_.low[73].push_back(-4.98360912e-05); + thermo_.low[73].push_back(1.58931983e-08); + thermo_.low[73].push_back(-2.04231877e-12); + thermo_.low[73].push_back(-1.17316124e+04); + thermo_.low[73].push_back(3.62789089e+01); +} + +{ + thermo_.name[74] = "NC6H12"; + thermo_.high[74].push_back(2.80951654e+01); + thermo_.high[74].push_back(5.24635942e-03); + thermo_.high[74].push_back(6.43208138e-06); + thermo_.high[74].push_back(-3.19131389e-09); + thermo_.high[74].push_back(4.01093698e-13); + thermo_.high[74].push_back(-1.79767847e+04); + thermo_.high[74].push_back(-1.24497292e+02); + thermo_.low[74].push_back(-1.85358315e+00); + thermo_.low[74].push_back(7.25469181e-02); + thermo_.low[74].push_back(-5.02818725e-05); + thermo_.low[74].push_back(1.80498673e-08); + thermo_.low[74].push_back(-2.58221827e-12); + thermo_.low[74].push_back(-7.31503024e+03); + thermo_.low[74].push_back(3.72569567e+01); +} + +{ + thermo_.name[75] = "C5H9CHO"; + thermo_.high[75].push_back(1.08416239e+01); + thermo_.high[75].push_back(4.20296686e-02); + thermo_.high[75].push_back(-2.00742994e-05); + thermo_.high[75].push_back(4.57927363e-09); + thermo_.high[75].push_back(-4.08519043e-13); + thermo_.high[75].push_back(-3.59631714e+04); + thermo_.high[75].push_back(-3.80017802e+01); + thermo_.low[75].push_back(-6.51363638e+00); + thermo_.low[75].push_back(8.05969136e-02); + thermo_.low[75].push_back(-5.22136702e-05); + thermo_.low[75].push_back(1.64827443e-08); + thermo_.low[75].push_back(-2.06177886e-12); + thermo_.low[75].push_back(-2.97152777e+04); + thermo_.low[75].push_back(5.59285088e+01); +} + +{ + thermo_.name[76] = "ETBE"; + thermo_.high[76].push_back(1.16559136e+01); + thermo_.high[76].push_back(4.67933987e-02); + thermo_.high[76].push_back(-1.93342014e-05); + thermo_.high[76].push_back(3.59185140e-09); + thermo_.high[76].push_back(-2.45564975e-13); + thermo_.high[76].push_back(-4.60322114e+04); + thermo_.high[76].push_back(-3.38084939e+01); + thermo_.low[76].push_back(-3.48005604e+00); + thermo_.low[76].push_back(9.40933039e-02); + thermo_.low[76].push_back(-7.47637778e-05); + thermo_.low[76].push_back(3.24614225e-08); + thermo_.low[76].push_back(-5.88415307e-12); + thermo_.low[76].push_back(-4.21574031e+04); + thermo_.low[76].push_back(4.29502770e+01); +} + +{ + thermo_.name[77] = "NEOC5H10O"; + thermo_.high[77].push_back(1.29296103e+01); + thermo_.high[77].push_back(3.16150611e-02); + thermo_.high[77].push_back(-1.35584975e-05); + thermo_.high[77].push_back(2.81753187e-09); + thermo_.high[77].push_back(-2.32686285e-13); + thermo_.high[77].push_back(-2.37933924e+04); + thermo_.high[77].push_back(-4.88968548e+01); + thermo_.low[77].push_back(-6.91462638e+00); + thermo_.low[77].push_back(8.56129839e-02); + thermo_.low[77].push_back(-6.86584188e-05); + thermo_.low[77].push_back(2.78061583e-08); + thermo_.low[77].push_back(-4.48245268e-12); + thermo_.low[77].push_back(-1.79591868e+04); + thermo_.low[77].push_back(5.44853542e+01); +} + +{ + thermo_.name[78] = "C4H8O"; + thermo_.high[78].push_back(1.12815996e+01); + thermo_.high[78].push_back(2.48463701e-02); + thermo_.high[78].push_back(-1.13234700e-05); + thermo_.high[78].push_back(2.47069946e-09); + thermo_.high[78].push_back(-2.12413507e-13); + thermo_.high[78].push_back(-2.03756688e+04); + thermo_.high[78].push_back(-3.84267373e+01); + thermo_.low[78].push_back(-2.94845122e+00); + thermo_.low[78].push_back(5.64687053e-02); + thermo_.low[78].push_back(-3.76754160e-05); + thermo_.low[78].push_back(1.22306795e-08); + thermo_.low[78].push_back(-1.56796629e-12); + thermo_.low[78].push_back(-1.52528505e+04); + thermo_.low[78].push_back(3.85892666e+01); +} + +{ + thermo_.name[79] = "NC5H10O"; + thermo_.high[79].push_back(1.40073101e+01); + thermo_.high[79].push_back(3.04405284e-02); + thermo_.high[79].push_back(-1.35854526e-05); + thermo_.high[79].push_back(2.90305354e-09); + thermo_.high[79].push_back(-2.44985844e-13); + thermo_.high[79].push_back(-2.55455866e+04); + thermo_.high[79].push_back(-5.25239383e+01); + thermo_.low[79].push_back(-3.79263098e+00); + thermo_.low[79].push_back(6.99959530e-02); + thermo_.low[79].push_back(-4.65483064e-05); + thermo_.low[79].push_back(1.51115179e-08); + thermo_.low[79].push_back(-1.94060590e-12); + thermo_.low[79].push_back(-1.91376078e+04); + thermo_.low[79].push_back(4.38130562e+01); +} + +{ + thermo_.name[80] = "NC7H14O"; + thermo_.high[80].push_back(1.37609323e+01); + thermo_.high[80].push_back(4.99379374e-02); + thermo_.high[80].push_back(-2.21152348e-05); + thermo_.high[80].push_back(4.72010363e-09); + thermo_.high[80].push_back(-3.98160014e-13); + thermo_.high[80].push_back(-3.97917916e+04); + thermo_.high[80].push_back(-4.67908592e+01); + thermo_.low[80].push_back(-7.39181743e+00); + thermo_.low[80].push_back(1.06723843e-01); + thermo_.low[80].push_back(-7.92822536e-05); + thermo_.low[80].push_back(3.02981881e-08); + thermo_.low[80].push_back(-4.68978493e-12); + thermo_.low[80].push_back(-3.34882722e+04); + thermo_.low[80].push_back(6.36941424e+01); +} + +{ + thermo_.name[81] = "IC8H16O"; + thermo_.high[81].push_back(2.92525449e+01); + thermo_.high[81].push_back(3.42835226e-02); + thermo_.high[81].push_back(-1.16024061e-05); + thermo_.high[81].push_back(1.77291874e-09); + thermo_.high[81].push_back(-1.00401812e-13); + thermo_.high[81].push_back(-4.92824114e+04); + thermo_.high[81].push_back(-1.33818841e+02); + thermo_.low[81].push_back(-8.05235857e+00); + thermo_.low[81].push_back(1.20537635e-01); + thermo_.low[81].push_back(-8.63892084e-05); + thermo_.low[81].push_back(3.05924957e-08); + thermo_.low[81].push_back(-4.26508057e-12); + thermo_.low[81].push_back(-3.63749148e+04); + thermo_.low[81].push_back(6.66033697e+01); +} + +{ + thermo_.name[82] = "C2H5OH"; + thermo_.high[82].push_back(4.82959470e+00); + thermo_.high[82].push_back(1.77552121e-02); + thermo_.high[82].push_back(-6.21112100e-06); + thermo_.high[82].push_back(6.58265206e-10); + thermo_.high[82].push_back(1.60136692e-14); + thermo_.high[82].push_back(-3.08658494e+04); + thermo_.high[82].push_back(5.43180378e-01); + thermo_.low[82].push_back(2.48921589e-01); + thermo_.low[82].push_back(3.10325255e-02); + thermo_.low[82].push_back(-2.06429833e-05); + thermo_.low[82].push_back(7.63017938e-09); + thermo_.low[82].push_back(-1.24701426e-12); + thermo_.low[82].push_back(-2.96015836e+04); + thermo_.low[82].push_back(2.41176395e+01); +} + +{ + thermo_.name[83] = "C2H5OO"; + thermo_.high[83].push_back(4.82335647e+00); + thermo_.high[83].push_back(2.06819188e-02); + thermo_.high[83].push_back(-9.67611879e-06); + thermo_.high[83].push_back(2.17589519e-09); + thermo_.high[83].push_back(-1.91914821e-13); + thermo_.high[83].push_back(-4.75156327e+03); + thermo_.high[83].push_back(3.93765088e+00); + thermo_.low[83].push_back(1.82119985e+00); + thermo_.low[83].push_back(3.02125747e-02); + thermo_.low[83].push_back(-2.10221378e-05); + thermo_.low[83].push_back(8.17907984e-09); + thermo_.low[83].push_back(-1.38302289e-12); + thermo_.low[83].push_back(-3.99501980e+03); + thermo_.low[83].push_back(1.91151548e+01); +} + +{ + thermo_.name[84] = "C2H5OOH"; + thermo_.high[84].push_back(1.15652199e+01); + thermo_.high[84].push_back(1.02216474e-02); + thermo_.high[84].push_back(-1.86630047e-06); + thermo_.high[84].push_back(-2.55692055e-10); + thermo_.high[84].push_back(7.26211298e-14); + thermo_.high[84].push_back(-2.47328137e+04); + thermo_.high[84].push_back(-3.42112965e+01); + thermo_.low[84].push_back(1.46294225e+00); + thermo_.low[84].push_back(3.56361824e-02); + thermo_.low[84].push_back(-2.58422768e-05); + thermo_.low[84].push_back(9.79712822e-09); + thermo_.low[84].push_back(-1.50801099e-12); + thermo_.low[84].push_back(-2.15202894e+04); + thermo_.low[84].push_back(1.92111233e+01); +} + +{ + thermo_.name[85] = "C2H4O"; + thermo_.high[85].push_back(4.77217531e+00); + thermo_.high[85].push_back(1.29608883e-02); + thermo_.high[85].push_back(-4.19608017e-06); + thermo_.high[85].push_back(3.32859470e-10); + thermo_.high[85].push_back(2.97428516e-14); + thermo_.high[85].push_back(-8.91054882e+03); + thermo_.high[85].push_back(-2.99568268e+00); + thermo_.low[85].push_back(-1.76683146e+00); + thermo_.low[85].push_back(3.11247960e-02); + thermo_.low[85].push_back(-2.31168173e-05); + thermo_.low[85].push_back(9.09246001e-09); + thermo_.low[85].push_back(-1.49102113e-12); + thermo_.low[85].push_back(-7.02731487e+03); + thermo_.low[85].push_back(3.09356489e+01); +} + +{ + thermo_.name[86] = "C6H5C2H"; + thermo_.high[86].push_back(1.36301627e+01); + thermo_.high[86].push_back(2.67826138e-02); + thermo_.high[86].push_back(-1.18276978e-05); + thermo_.high[86].push_back(2.56807250e-09); + thermo_.high[86].push_back(-2.21616638e-13); + thermo_.high[86].push_back(3.04381476e+04); + thermo_.high[86].push_back(-4.83434869e+01); + thermo_.low[86].push_back(-3.73085925e+00); + thermo_.low[86].push_back(7.89962135e-02); + thermo_.low[86].push_back(-7.07152163e-05); + thermo_.low[86].push_back(3.20856256e-08); + thermo_.low[86].push_back(-5.77002888e-12); + thermo_.low[86].push_back(3.50561794e+04); + thermo_.low[86].push_back(4.03644060e+01); +} + +{ + thermo_.name[87] = "BIPHENYL"; + thermo_.high[87].push_back(2.67692078e+01); + thermo_.high[87].push_back(2.81611415e-02); + thermo_.high[87].push_back(-6.05667723e-06); + thermo_.high[87].push_back(-3.69378426e-10); + thermo_.high[87].push_back(1.67249382e-13); + thermo_.high[87].push_back(9.26692468e+03); + thermo_.high[87].push_back(-1.21306413e+02); + thermo_.low[87].push_back(-1.05625108e+01); + thermo_.low[87].push_back(1.31145193e-01); + thermo_.low[87].push_back(-1.12591903e-04); + thermo_.low[87].push_back(4.86123345e-08); + thermo_.low[87].push_back(-8.27787353e-12); + thermo_.low[87].push_back(2.00931231e+04); + thermo_.low[87].push_back(7.26686556e+01); +} + +{ + thermo_.name[88] = "C14H10"; + thermo_.high[88].push_back(3.13141255e+01); + thermo_.high[88].push_back(2.89528714e-02); + thermo_.high[88].push_back(-5.57670990e-06); + thermo_.high[88].push_back(-5.89662906e-10); + thermo_.high[88].push_back(1.88202945e-13); + thermo_.high[88].push_back(1.06460191e+04); + thermo_.high[88].push_back(-1.48101025e+02); + thermo_.low[88].push_back(-1.21905872e+01); + thermo_.low[88].push_back(1.50644375e-01); + thermo_.low[88].push_back(-1.33225141e-04); + thermo_.low[88].push_back(5.89200950e-08); + thermo_.low[88].push_back(-1.02156009e-11); + thermo_.low[88].push_back(2.30883669e+04); + thermo_.low[88].push_back(7.73445897e+01); +} + +{ + thermo_.name[89] = "C6H5OH"; + thermo_.high[89].push_back(1.39867712e+01); + thermo_.high[89].push_back(2.02277643e-02); + thermo_.high[89].push_back(-7.36599500e-06); + thermo_.high[89].push_back(1.21196288e-09); + thermo_.high[89].push_back(-7.46105018e-14); + thermo_.high[89].push_back(-1.80542263e+04); + thermo_.high[89].push_back(-5.08485811e+01); + thermo_.low[89].push_back(-5.47325435e+00); + thermo_.low[89].push_back(7.87541571e-02); + thermo_.low[89].push_back(-7.33732049e-05); + thermo_.low[89].push_back(3.42982836e-08); + thermo_.low[89].push_back(-6.29384372e-12); + thermo_.low[89].push_back(-1.28778595e+04); + thermo_.low[89].push_back(4.85843830e+01); +} + +{ + thermo_.name[90] = "FLUORENE"; + thermo_.high[90].push_back(2.91248872e+01); + thermo_.high[90].push_back(2.85362024e-02); + thermo_.high[90].push_back(-5.66199729e-06); + thermo_.high[90].push_back(-5.67026725e-10); + thermo_.high[90].push_back(1.91134972e-13); + thermo_.high[90].push_back(9.75119358e+03); + thermo_.high[90].push_back(-1.37159218e+02); + thermo_.low[90].push_back(-1.43465120e+01); + thermo_.low[90].push_back(1.49290089e-01); + thermo_.low[90].push_back(-1.31447296e-04); + thermo_.low[90].push_back(5.76669078e-08); + thermo_.low[90].push_back(-9.91892310e-12); + thermo_.low[90].push_back(2.22709565e+04); + thermo_.low[90].push_back(8.84167006e+01); +} + +{ + thermo_.name[91] = "C10H8"; + thermo_.high[91].push_back(1.51184828e+01); + thermo_.high[91].push_back(3.89675576e-02); + thermo_.high[91].push_back(-1.78248659e-05); + thermo_.high[91].push_back(3.92092279e-09); + thermo_.high[91].push_back(-3.39215689e-13); + thermo_.high[91].push_back(1.01121562e+04); + thermo_.high[91].push_back(-6.09041102e+01); + thermo_.low[91].push_back(-8.71832426e+00); + thermo_.low[91].push_back(1.08564074e-01); + thermo_.low[91].push_back(-9.40254318e-05); + thermo_.low[91].push_back(4.10014902e-08); + thermo_.low[91].push_back(-7.10574258e-12); + thermo_.low[91].push_back(1.66434413e+04); + thermo_.low[91].push_back(6.15987876e+01); +} + +{ + thermo_.name[92] = "H"; + thermo_.high[92].push_back(2.50000000e+00); + thermo_.high[92].push_back(7.40336223e-15); + thermo_.high[92].push_back(-5.56967416e-18); + thermo_.high[92].push_back(1.73924876e-21); + thermo_.high[92].push_back(-1.92673709e-25); + thermo_.high[92].push_back(2.54716200e+04); + thermo_.high[92].push_back(-4.60117600e-01); + thermo_.low[92].push_back(2.50000000e+00); + thermo_.low[92].push_back(-4.07455160e-15); + thermo_.low[92].push_back(5.98527266e-18); + thermo_.low[92].push_back(-3.43074982e-21); + thermo_.low[92].push_back(6.74775716e-25); + thermo_.low[92].push_back(2.54716200e+04); + thermo_.low[92].push_back(-4.60117600e-01); +} + +{ + thermo_.name[93] = "H2"; + thermo_.high[93].push_back(3.73110902e+00); + thermo_.high[93].push_back(-8.86706214e-04); + thermo_.high[93].push_back(1.12286897e-06); + thermo_.high[93].push_back(-3.74349782e-10); + thermo_.high[93].push_back(4.17963674e-14); + thermo_.high[93].push_back(-1.08851547e+03); + thermo_.high[93].push_back(-5.35285855e+00); + thermo_.low[93].push_back(3.08866003e+00); + thermo_.low[93].push_back(2.53968841e-03); + thermo_.low[93].push_back(-5.72992027e-06); + thermo_.low[93].push_back(5.71701843e-09); + thermo_.low[93].push_back(-1.98865970e-12); + thermo_.low[93].push_back(-9.92148124e+02); + thermo_.low[93].push_back(-2.43823459e+00); +} + +{ + thermo_.name[94] = "H2O"; + thermo_.high[94].push_back(2.30940463e+00); + thermo_.high[94].push_back(3.65433887e-03); + thermo_.high[94].push_back(-1.22983871e-06); + thermo_.high[94].push_back(2.11931683e-10); + thermo_.high[94].push_back(-1.50333493e-14); + thermo_.high[94].push_back(-2.97294901e+04); + thermo_.high[94].push_back(8.92765177e+00); + thermo_.low[94].push_back(4.03530937e+00); + thermo_.low[94].push_back(-6.87559833e-04); + thermo_.low[94].push_back(2.86629214e-06); + thermo_.low[94].push_back(-1.50552360e-09); + thermo_.low[94].push_back(2.55006790e-13); + thermo_.low[94].push_back(-3.02783278e+04); + thermo_.low[94].push_back(-1.99201641e-01); +} + +{ + thermo_.name[95] = "H2O2"; + thermo_.high[95].push_back(4.56163072e+00); + thermo_.high[95].push_back(4.35560969e-03); + thermo_.high[95].push_back(-1.48694629e-06); + thermo_.high[95].push_back(2.38275424e-10); + thermo_.high[95].push_back(-1.46610352e-14); + thermo_.high[95].push_back(-1.80016693e+04); + thermo_.high[95].push_back(5.66597119e-01); + thermo_.low[95].push_back(2.91896355e+00); + thermo_.low[95].push_back(9.92397296e-03); + thermo_.low[95].push_back(-8.56537418e-06); + thermo_.low[95].push_back(4.23738723e-09); + thermo_.low[95].push_back(-8.61930485e-13); + thermo_.low[95].push_back(-1.76139998e+04); + thermo_.low[95].push_back(8.76340177e+00); +} + +{ + thermo_.name[96] = "HCCO"; + thermo_.high[96].push_back(7.44900312e+00); + thermo_.high[96].push_back(1.01177830e-03); + thermo_.high[96].push_back(3.02918165e-07); + thermo_.high[96].push_back(-2.13909391e-10); + thermo_.high[96].push_back(2.81815208e-14); + thermo_.high[96].push_back(1.86458955e+04); + thermo_.high[96].push_back(-1.30987733e+01); + thermo_.low[96].push_back(4.44514163e+00); + thermo_.low[96].push_back(7.68702606e-03); + thermo_.low[96].push_back(-5.25978830e-06); + thermo_.low[96].push_back(1.84635226e-09); + thermo_.low[96].push_back(-2.57965931e-13); + thermo_.low[96].push_back(1.97272856e+04); + thermo_.low[96].push_back(3.15875175e+00); +} + +{ + thermo_.name[97] = "HCO"; + thermo_.high[97].push_back(2.44772078e+00); + thermo_.high[97].push_back(5.65570555e-03); + thermo_.high[97].push_back(-3.01329556e-06); + thermo_.high[97].push_back(7.57702524e-10); + thermo_.high[97].push_back(-7.26129631e-14); + thermo_.high[97].push_back(4.31149160e+03); + thermo_.high[97].push_back(1.15871953e+01); + thermo_.low[97].push_back(3.74218864e+00); + thermo_.low[97].push_back(2.75844059e-05); + thermo_.low[97].push_back(6.16298892e-06); + thermo_.low[97].push_back(-5.89177898e-09); + thermo_.low[97].push_back(1.73431136e-12); + thermo_.low[97].push_back(4.07330951e+03); + thermo_.low[97].push_back(5.45007090e+00); +} + +{ + thermo_.name[98] = "HCO3"; + thermo_.high[98].push_back(5.04067718e+00); + thermo_.high[98].push_back(8.66656109e-03); + thermo_.high[98].push_back(-4.28958277e-06); + thermo_.high[98].push_back(1.00563376e-09); + thermo_.high[98].push_back(-9.13599886e-14); + thermo_.high[98].push_back(-1.77902136e+04); + thermo_.high[98].push_back(5.78191516e+00); + thermo_.low[98].push_back(3.79300672e+00); + thermo_.low[98].push_back(1.14391621e-02); + thermo_.low[98].push_back(-6.60008362e-06); + thermo_.low[98].push_back(1.86137482e-09); + thermo_.low[98].push_back(-2.10212913e-13); + thermo_.low[98].push_back(-1.73410522e+04); + thermo_.low[98].push_back(1.25345680e+01); +} + +{ + thermo_.name[99] = "HE"; + thermo_.high[99].push_back(2.50000000e+00); + thermo_.high[99].push_back(7.40336223e-15); + thermo_.high[99].push_back(-5.56967416e-18); + thermo_.high[99].push_back(1.73924876e-21); + thermo_.high[99].push_back(-1.92673709e-25); + thermo_.high[99].push_back(-7.45375000e+02); + thermo_.high[99].push_back(9.28723974e-01); + thermo_.low[99].push_back(2.50000000e+00); + thermo_.low[99].push_back(-4.07455160e-15); + thermo_.low[99].push_back(5.98527266e-18); + thermo_.low[99].push_back(-3.43074982e-21); + thermo_.low[99].push_back(6.74775716e-25); + thermo_.low[99].push_back(-7.45375000e+02); + thermo_.low[99].push_back(9.28723974e-01); +} + +{ + thermo_.name[100] = "HO2"; + thermo_.high[100].push_back(4.16318067e+00); + thermo_.high[100].push_back(1.99798265e-03); + thermo_.high[100].push_back(-4.89192086e-07); + thermo_.high[100].push_back(7.71153172e-11); + thermo_.high[100].push_back(-7.30772104e-15); + thermo_.high[100].push_back(4.41348948e+01); + thermo_.high[100].push_back(2.95517985e+00); + thermo_.low[100].push_back(2.85241381e+00); + thermo_.low[100].push_back(5.40257188e-03); + thermo_.low[100].push_back(-3.80535043e-06); + thermo_.low[100].push_back(1.51268170e-09); + thermo_.low[100].push_back(-2.40354212e-13); + thermo_.low[100].push_back(4.47851086e+02); + thermo_.low[100].push_back(9.84483831e+00); +} + +{ + thermo_.name[101] = "IC4H8"; + thermo_.high[101].push_back(7.63433967e+00); + thermo_.high[101].push_back(2.47722696e-02); + thermo_.high[101].push_back(-1.05415828e-05); + thermo_.high[101].push_back(2.18152373e-09); + thermo_.high[101].push_back(-1.80119594e-13); + thermo_.high[101].push_back(-6.21385768e+03); + thermo_.high[101].push_back(-1.72949366e+01); + thermo_.low[101].push_back(7.17301598e-01); + thermo_.low[101].push_back(4.01434653e-02); + thermo_.low[101].push_back(-2.33509125e-05); + thermo_.low[101].push_back(6.92571993e-09); + thermo_.low[101].push_back(-8.39035734e-13); + thermo_.low[101].push_back(-3.72372397e+03); + thermo_.low[101].push_back(2.01415164e+01); +} + +{ + thermo_.name[102] = "IC3H7CHO"; + thermo_.high[102].push_back(1.25375038e+01); + thermo_.high[102].push_back(2.06759832e-02); + thermo_.high[102].push_back(-7.90606663e-06); + thermo_.high[102].push_back(1.44761601e-09); + thermo_.high[102].push_back(-1.05776578e-13); + thermo_.high[102].push_back(-3.22363635e+04); + thermo_.high[102].push_back(-4.10505202e+01); + thermo_.low[102].push_back(-3.44732114e-01); + thermo_.low[102].push_back(4.93031741e-02); + thermo_.low[102].push_back(-3.17620591e-05); + thermo_.low[102].push_back(1.02831688e-08); + thermo_.low[102].push_back(-1.33293668e-12); + thermo_.low[102].push_back(-2.75987585e+04); + thermo_.low[102].push_back(2.86708279e+01); +} + +{ + thermo_.name[103] = "IC4H9P"; + thermo_.high[103].push_back(7.95880517e+00); + thermo_.high[103].push_back(2.55088283e-02); + thermo_.high[103].push_back(-8.62221491e-06); + thermo_.high[103].push_back(8.09648923e-10); + thermo_.high[103].push_back(4.02033219e-14); + thermo_.high[103].push_back(3.37759298e+03); + thermo_.high[103].push_back(-1.61084037e+01); + thermo_.low[103].push_back(-1.15582376e+00); + thermo_.low[103].push_back(5.10042938e-02); + thermo_.low[103].push_back(-3.53657102e-05); + thermo_.low[103].push_back(1.32774789e-08); + thermo_.low[103].push_back(-2.13948724e-12); + thermo_.low[103].push_back(5.98437685e+03); + thermo_.low[103].push_back(3.11244820e+01); +} + +{ + thermo_.name[104] = "IC4H9POO"; + thermo_.high[104].push_back(8.54295826e+00); + thermo_.high[104].push_back(3.45220773e-02); + thermo_.high[104].push_back(-1.59311943e-05); + thermo_.high[104].push_back(3.53852672e-09); + thermo_.high[104].push_back(-3.08950056e-13); + thermo_.high[104].push_back(-1.29532173e+04); + thermo_.high[104].push_back(-1.39825068e+01); + thermo_.low[104].push_back(7.00555201e-01); + thermo_.low[104].push_back(5.72536803e-02); + thermo_.low[104].push_back(-4.06394585e-05); + thermo_.low[104].push_back(1.54748862e-08); + thermo_.low[104].push_back(-2.47133403e-12); + thermo_.low[104].push_back(-1.07887140e+04); + thermo_.low[104].push_back(2.63784632e+01); +} + +{ + thermo_.name[105] = "IC4H9T"; + thermo_.high[105].push_back(7.90871688e+00); + thermo_.high[105].push_back(2.55264450e-02); + thermo_.high[105].push_back(-8.65284050e-06); + thermo_.high[105].push_back(8.24419704e-10); + thermo_.high[105].push_back(3.80550653e-14); + thermo_.high[105].push_back(8.35470581e+02); + thermo_.high[105].push_back(-1.73299272e+01); + thermo_.low[105].push_back(-1.29900233e+00); + thermo_.low[105].push_back(5.18342142e-02); + thermo_.low[105].push_back(-3.68397360e-05); + thermo_.low[105].push_back(1.42467509e-08); + thermo_.low[105].push_back(-2.35878979e-12); + thermo_.low[105].push_back(3.41363196e+03); + thermo_.low[105].push_back(3.01901373e+01); +} + +{ + thermo_.name[106] = "IC4H9TOO"; + thermo_.high[106].push_back(9.11667611e+00); + thermo_.high[106].push_back(3.41757258e-02); + thermo_.high[106].push_back(-1.58797345e-05); + thermo_.high[106].push_back(3.54686464e-09); + thermo_.high[106].push_back(-3.10976548e-13); + thermo_.high[106].push_back(-1.64591648e+04); + thermo_.high[106].push_back(-1.96564028e+01); + thermo_.low[106].push_back(4.84069009e-01); + thermo_.low[106].push_back(6.15808277e-02); + thermo_.low[106].push_back(-4.85048558e-05); + thermo_.low[106].push_back(2.08088336e-08); + thermo_.low[106].push_back(-3.73597039e-12); + thermo_.low[106].push_back(-1.42837478e+04); + thermo_.low[106].push_back(2.39860330e+01); +} + +{ + thermo_.name[107] = "IC4H10"; + thermo_.high[107].push_back(5.51955794e+00); + thermo_.high[107].push_back(3.23747266e-02); + thermo_.high[107].push_back(-1.18655436e-05); + thermo_.high[107].push_back(1.37455178e-09); + thermo_.high[107].push_back(1.57073476e-14); + thermo_.high[107].push_back(-1.97025810e+04); + thermo_.high[107].push_back(-6.34483422e+00); + thermo_.low[107].push_back(-1.85965328e+00); + thermo_.low[107].push_back(5.58007940e-02); + thermo_.low[107].push_back(-3.97537190e-05); + thermo_.low[107].push_back(1.61302002e-08); + thermo_.low[107].push_back(-2.91200067e-12); + thermo_.low[107].push_back(-1.78430198e+04); + thermo_.low[107].push_back(3.09610166e+01); +} + +{ + thermo_.name[108] = "IC16H34"; + thermo_.high[108].push_back(4.72524600e+01); + thermo_.high[108].push_back(8.54680758e-02); + thermo_.high[108].push_back(-3.36612723e-05); + thermo_.high[108].push_back(6.38202029e-09); + thermo_.high[108].push_back(-4.82094887e-13); + thermo_.high[108].push_back(-7.78744143e+04); + thermo_.high[108].push_back(-2.24182950e+02); + thermo_.low[108].push_back(-9.93612250e+00); + thermo_.low[108].push_back(2.29338723e-01); + thermo_.low[108].push_back(-1.69388298e-04); + thermo_.low[108].push_back(6.32906266e-08); + thermo_.low[108].push_back(-9.42998897e-12); + thermo_.low[108].push_back(-5.96884450e+04); + thermo_.low[108].push_back(7.82391931e+01); +} + +{ + thermo_.name[109] = "IC4H7"; + thermo_.high[109].push_back(1.18177121e+00); + thermo_.high[109].push_back(3.67769036e-02); + thermo_.high[109].push_back(-1.77031336e-05); + thermo_.high[109].push_back(3.74786262e-09); + thermo_.high[109].push_back(-2.92191280e-13); + thermo_.high[109].push_back(1.31214242e+04); + thermo_.high[109].push_back(2.00120538e+01); + thermo_.low[109].push_back(3.86129991e+00); + thermo_.low[109].push_back(2.14653110e-02); + thermo_.low[109].push_back(1.51074220e-05); + thermo_.low[109].push_back(-2.75002856e-08); + thermo_.low[109].push_back(1.08678616e-11); + thermo_.low[109].push_back(1.27462902e+04); + thermo_.low[109].push_back(8.04059744e+00); +} + +{ + thermo_.name[110] = "IC8H18"; + thermo_.high[110].push_back(2.06155885e+01); + thermo_.high[110].push_back(4.43694094e-02); + thermo_.high[110].push_back(-1.35968858e-05); + thermo_.high[110].push_back(1.75327622e-09); + thermo_.high[110].push_back(-6.83090880e-14); + thermo_.high[110].push_back(-3.76580614e+04); + thermo_.high[110].push_back(-8.42148793e+01); + thermo_.low[110].push_back(-5.96912081e+00); + thermo_.low[110].push_back(1.20872170e-01); + thermo_.low[110].push_back(-9.61538217e-05); + thermo_.low[110].push_back(4.13489289e-08); + thermo_.low[110].push_back(-7.18982936e-12); + thermo_.low[110].push_back(-3.02675122e+04); + thermo_.low[110].push_back(5.27954202e+01); +} + +{ + thermo_.name[111] = "INDENE"; + thermo_.high[111].push_back(1.65348693e+01); + thermo_.high[111].push_back(2.81361431e-02); + thermo_.high[111].push_back(-7.82674558e-06); + thermo_.high[111].push_back(2.33936401e-10); + thermo_.high[111].push_back(1.15234436e-13); + thermo_.high[111].push_back(1.13278665e+04); + thermo_.high[111].push_back(-6.66478053e+01); + thermo_.low[111].push_back(-7.32592199e+00); + thermo_.low[111].push_back(9.39590155e-02); + thermo_.low[111].push_back(-7.59193723e-05); + thermo_.low[111].push_back(3.15408912e-08); + thermo_.low[111].push_back(-5.28251639e-12); + thermo_.low[111].push_back(1.82474960e+04); + thermo_.low[111].push_back(5.73325203e+01); +} + +{ + thermo_.name[112] = "IC3H7"; + thermo_.high[112].push_back(8.48779790e+00); + thermo_.high[112].push_back(1.53259253e-02); + thermo_.high[112].push_back(-4.76474417e-06); + thermo_.high[112].push_back(3.92065263e-10); + thermo_.high[112].push_back(2.47111520e-14); + thermo_.high[112].push_back(5.50507422e+03); + thermo_.high[112].push_back(-2.12719618e+01); + thermo_.low[112].push_back(2.73725246e-01); + thermo_.low[112].push_back(3.54831588e-02); + thermo_.low[112].push_back(-2.33143455e-05); + thermo_.low[112].push_back(7.97881429e-09); + thermo_.low[112].push_back(-1.13890066e-12); + thermo_.low[112].push_back(8.18286190e+03); + thermo_.low[112].push_back(2.23694223e+01); +} + +{ + thermo_.name[113] = "IC3H7OH"; + thermo_.high[113].push_back(6.28069615e+00); + thermo_.high[113].push_back(2.59370043e-02); + thermo_.high[113].push_back(-1.05350747e-05); + thermo_.high[113].push_back(1.92921360e-09); + thermo_.high[113].push_back(-1.30183993e-13); + thermo_.high[113].push_back(-3.63768639e+04); + thermo_.high[113].push_back(-6.66341882e+00); + thermo_.low[113].push_back(-3.00574060e-01); + thermo_.low[113].push_back(4.60324859e-02); + thermo_.low[113].push_back(-3.35451681e-05); + thermo_.low[113].push_back(1.36391848e-08); + thermo_.low[113].push_back(-2.36491132e-12); + thermo_.low[113].push_back(-3.46525711e+04); + thermo_.low[113].push_back(2.68645272e+01); +} + +{ + thermo_.name[114] = "IC3H7OO"; + thermo_.high[114].push_back(7.34738699e+00); + thermo_.high[114].push_back(2.68252330e-02); + thermo_.high[114].push_back(-1.24179691e-05); + thermo_.high[114].push_back(2.76645854e-09); + thermo_.high[114].push_back(-2.42147350e-13); + thermo_.high[114].push_back(-1.06484855e+04); + thermo_.high[114].push_back(-8.92587196e+00); + thermo_.low[114].push_back(1.07341266e+00); + thermo_.low[114].push_back(4.67426118e-02); + thermo_.low[114].push_back(-3.61291344e-05); + thermo_.low[114].push_back(1.53120486e-08); + thermo_.low[114].push_back(-2.73135173e-12); + thermo_.low[114].push_back(-9.06744395e+03); + thermo_.low[114].push_back(2.27924165e+01); +} + +{ + thermo_.name[115] = "IC3QOOH"; + thermo_.high[115].push_back(1.04498043e+01); + thermo_.high[115].push_back(2.29490980e-02); + thermo_.high[115].push_back(-1.05757759e-05); + thermo_.high[115].push_back(2.34172678e-09); + thermo_.high[115].push_back(-2.03669153e-13); + thermo_.high[115].push_back(-5.22299426e+03); + thermo_.high[115].push_back(-2.40008692e+01); + thermo_.low[115].push_back(-1.71110880e-01); + thermo_.low[115].push_back(5.64007993e-02); + thermo_.low[115].push_back(-5.00856593e-05); + thermo_.low[115].push_back(2.30818231e-08); + thermo_.low[115].push_back(-4.28636527e-12); + thermo_.low[115].push_back(-2.52528181e+03); + thermo_.low[115].push_back(2.97774852e+01); +} + +{ + thermo_.name[116] = "IC3OOQOOH"; + thermo_.high[116].push_back(1.23035624e+01); + thermo_.high[116].push_back(2.79964883e-02); + thermo_.high[116].push_back(-1.33482910e-05); + thermo_.high[116].push_back(3.03524083e-09); + thermo_.high[116].push_back(-2.69271163e-13); + thermo_.high[116].push_back(-2.25784829e+04); + thermo_.high[116].push_back(-2.78550798e+01); + thermo_.low[116].push_back(1.73143843e+00); + thermo_.low[116].push_back(6.26591900e-02); + thermo_.low[116].push_back(-5.59663668e-05); + thermo_.low[116].push_back(2.63238068e-08); + thermo_.low[116].push_back(-5.04151829e-12); + thermo_.low[116].push_back(-1.99988847e+04); + thermo_.low[116].push_back(2.52515831e+01); +} + +{ + thermo_.name[117] = "IC5H10"; + thermo_.high[117].push_back(2.13459841e+01); + thermo_.high[117].push_back(8.88367161e-03); + thermo_.high[117].push_back(1.59648418e-06); + thermo_.high[117].push_back(-1.31808203e-09); + thermo_.high[117].push_back(1.74600856e-13); + thermo_.high[117].push_back(-1.26620076e+04); + thermo_.high[117].push_back(-8.94699897e+01); + thermo_.low[117].push_back(-1.59634535e+00); + thermo_.low[117].push_back(5.98666259e-02); + thermo_.low[117].push_back(-4.08893110e-05); + thermo_.low[117].push_back(1.44173977e-08); + thermo_.low[117].push_back(-2.01088244e-12); + thermo_.low[117].push_back(-4.40276906e+03); + thermo_.low[117].push_back(3.46986831e+01); +} + +{ + thermo_.name[118] = "NEOC5OQOOH"; + thermo_.high[118].push_back(2.24459936e+01); + thermo_.high[118].push_back(2.37621277e-02); + thermo_.high[118].push_back(-8.83881473e-06); + thermo_.high[118].push_back(1.53830075e-09); + thermo_.high[118].push_back(-1.04514815e-13); + thermo_.high[118].push_back(-5.03880249e+04); + thermo_.high[118].push_back(-8.77405631e+01); + thermo_.low[118].push_back(1.27283562e+00); + thermo_.low[118].push_back(7.38761111e-02); + thermo_.low[118].push_back(-5.33186817e-05); + thermo_.low[118].push_back(1.90845993e-08); + thermo_.low[118].push_back(-2.70012112e-12); + thermo_.low[118].push_back(-4.32314975e+04); + thermo_.low[118].push_back(2.55178450e+01); +} + +{ + thermo_.name[119] = "IC4OQOOH"; + thermo_.high[119].push_back(1.51567879e+01); + thermo_.high[119].push_back(2.57227734e-02); + thermo_.high[119].push_back(-1.11020451e-05); + thermo_.high[119].push_back(2.28943519e-09); + thermo_.high[119].push_back(-1.86269530e-13); + thermo_.high[119].push_back(-4.30658407e+04); + thermo_.high[119].push_back(-4.59845002e+01); + thermo_.low[119].push_back(9.69279340e-01); + thermo_.low[119].push_back(6.18692920e-02); + thermo_.low[119].push_back(-4.56369355e-05); + thermo_.low[119].push_back(1.69539322e-08); + thermo_.low[119].push_back(-2.52138051e-12); + thermo_.low[119].push_back(-3.86109630e+04); + thermo_.low[119].push_back(2.88616666e+01); +} + +{ + thermo_.name[120] = "C3OQOOH"; + thermo_.high[120].push_back(1.12132537e+01); + thermo_.high[120].push_back(2.34709018e-02); + thermo_.high[120].push_back(-1.13098317e-05); + thermo_.high[120].push_back(2.59008079e-09); + thermo_.high[120].push_back(-2.30885268e-13); + thermo_.high[120].push_back(-3.91289882e+04); + thermo_.high[120].push_back(-2.66260028e+01); + thermo_.low[120].push_back(8.46220448e-01); + thermo_.low[120].push_back(5.41880374e-02); + thermo_.low[120].push_back(-4.54399824e-05); + thermo_.low[120].push_back(1.94444762e-08); + thermo_.low[120].push_back(-3.35206960e-12); + thermo_.low[120].push_back(-3.63298893e+04); + thermo_.low[120].push_back(2.65001343e+01); +} + +{ + thermo_.name[121] = "NC4OQOOH"; + thermo_.high[121].push_back(1.18153445e+01); + thermo_.high[121].push_back(3.20093755e-02); + thermo_.high[121].push_back(-1.53334981e-05); + thermo_.high[121].push_back(3.50316407e-09); + thermo_.high[121].push_back(-3.12136547e-13); + thermo_.high[121].push_back(-4.27660549e+04); + thermo_.high[121].push_back(-2.73083214e+01); + thermo_.low[121].push_back(2.51946600e+00); + thermo_.low[121].push_back(5.99669047e-02); + thermo_.low[121].push_back(-4.68645461e-05); + thermo_.low[121].push_back(1.93082006e-08); + thermo_.low[121].push_back(-3.28300808e-12); + thermo_.low[121].push_back(-4.02933512e+04); + thermo_.low[121].push_back(2.01899074e+01); +} + +{ + thermo_.name[122] = "NC5OQOOH"; + thermo_.high[122].push_back(1.42172630e+01); + thermo_.high[122].push_back(3.77707683e-02); + thermo_.high[122].push_back(-1.76257936e-05); + thermo_.high[122].push_back(3.93443034e-09); + thermo_.high[122].push_back(-3.43954252e-13); + thermo_.high[122].push_back(-4.65061050e+04); + thermo_.high[122].push_back(-3.85369191e+01); + thermo_.low[122].push_back(2.52749929e+00); + thermo_.low[122].push_back(7.09332187e-02); + thermo_.low[122].push_back(-5.29049961e-05); + thermo_.low[122].push_back(2.06149043e-08); + thermo_.low[122].push_back(-3.30148510e-12); + thermo_.low[122].push_back(-4.32095916e+04); + thermo_.low[122].push_back(2.18759162e+01); +} + +{ + thermo_.name[123] = "NC7OQOOH"; + thermo_.high[123].push_back(2.27584121e+01); + thermo_.high[123].push_back(4.25741258e-02); + thermo_.high[123].push_back(-1.77950010e-05); + thermo_.high[123].push_back(3.55398722e-09); + thermo_.high[123].push_back(-2.80791799e-13); + thermo_.high[123].push_back(-5.95329656e+04); + thermo_.high[123].push_back(-8.19251639e+01); + thermo_.low[123].push_back(2.24997334e+00); + thermo_.low[123].push_back(9.16961348e-02); + thermo_.low[123].push_back(-6.19165660e-05); + thermo_.low[123].push_back(2.11673864e-08); + thermo_.low[123].push_back(-2.91752820e-12); + thermo_.low[123].push_back(-5.26831470e+04); + thermo_.low[123].push_back(2.75334100e+01); +} + +{ + thermo_.name[124] = "IC8OQOOH"; + thermo_.high[124].push_back(3.33140926e+01); + thermo_.high[124].push_back(3.48304479e-02); + thermo_.high[124].push_back(-1.19632189e-05); + thermo_.high[124].push_back(1.85711682e-09); + thermo_.high[124].push_back(-1.07309433e-13); + thermo_.high[124].push_back(-6.88276671e+04); + thermo_.high[124].push_back(-1.40834098e+02); + thermo_.low[124].push_back(5.55148980e-01); + thermo_.low[124].push_back(1.08861959e-01); + thermo_.low[124].push_back(-7.47017874e-05); + thermo_.low[124].push_back(2.54874628e-08); + thermo_.low[124].push_back(-3.44492892e-12); + thermo_.low[124].push_back(-5.72310011e+04); + thermo_.low[124].push_back(3.59135548e+01); +} + +{ + thermo_.name[125] = "DMEOQOOH"; + thermo_.high[125].push_back(1.54960865e+01); + thermo_.high[125].push_back(1.58758106e-03); + thermo_.high[125].push_back(2.24425901e-06); + thermo_.high[125].push_back(-9.74237206e-10); + thermo_.high[125].push_back(1.03773065e-13); + thermo_.high[125].push_back(-4.69655432e+04); + thermo_.high[125].push_back(-5.18401164e+01); + thermo_.low[125].push_back(3.62388957e+00); + thermo_.low[125].push_back(2.85698467e-02); + thermo_.low[125].push_back(-2.07519902e-05); + thermo_.low[125].push_back(7.73646324e-09); + thermo_.low[125].push_back(-1.13354234e-12); + thermo_.low[125].push_back(-4.27865299e+04); + thermo_.low[125].push_back(1.21478877e+01); +} + +{ + thermo_.name[126] = "NC10OQOOH"; + thermo_.high[126].push_back(2.99089271e+01); + thermo_.high[126].push_back(5.87016386e-02); + thermo_.high[126].push_back(-2.37959516e-05); + thermo_.high[126].push_back(4.63914804e-09); + thermo_.high[126].push_back(-3.59659107e-13); + thermo_.high[126].push_back(-7.07246459e+04); + thermo_.high[126].push_back(-1.14602343e+02); + thermo_.low[126].push_back(2.87865509e+00); + thermo_.low[126].push_back(1.24229571e-01); + thermo_.low[126].push_back(-8.33667990e-05); + thermo_.low[126].push_back(2.87081773e-08); + thermo_.low[126].push_back(-4.00648172e-12); + thermo_.low[126].push_back(-6.18046561e+04); + thermo_.low[126].push_back(2.93391873e+01); +} + +{ + thermo_.name[127] = "NC12OQOOH"; + thermo_.high[127].push_back(2.89762540e+01); + thermo_.high[127].push_back(8.51935060e-02); + thermo_.high[127].push_back(-4.32222039e-05); + thermo_.high[127].push_back(1.03184896e-08); + thermo_.high[127].push_back(-9.52873634e-13); + thermo_.high[127].push_back(-7.66784457e+04); + thermo_.high[127].push_back(-1.07151303e+02); + thermo_.low[127].push_back(4.95723376e+00); + thermo_.low[127].push_back(1.38569107e-01); + thermo_.low[127].push_back(-8.77018710e-05); + thermo_.low[127].push_back(2.67924404e-08); + thermo_.low[127].push_back(-3.24092235e-12); + thermo_.low[127].push_back(-6.80315984e+04); + thermo_.low[127].push_back(2.28446447e+01); +} + +{ + thermo_.name[128] = "IC16OQOOH"; + thermo_.high[128].push_back(5.03105902e+01); + thermo_.high[128].push_back(8.85535013e-02); + thermo_.high[128].push_back(-3.63077668e-05); + thermo_.high[128].push_back(7.13747183e-09); + thermo_.high[128].push_back(-5.56692148e-13); + thermo_.high[128].push_back(-1.01978074e+05); + thermo_.high[128].push_back(-2.30341253e+02); + thermo_.low[128].push_back(-5.93668664e+00); + thermo_.low[128].push_back(2.30056085e-01); + thermo_.low[128].push_back(-1.69800770e-04); + thermo_.low[128].push_back(6.31093809e-08); + thermo_.low[128].push_back(-9.35730677e-12); + thermo_.low[128].push_back(-8.40914402e+04); + thermo_.low[128].push_back(6.71031189e+01); +} + +{ + thermo_.name[129] = "MCYC6OQOOH"; + thermo_.high[129].push_back(2.89245833e+01); + thermo_.high[129].push_back(2.89702632e-02); + thermo_.high[129].push_back(-1.00807411e-05); + thermo_.high[129].push_back(1.60861341e-09); + thermo_.high[129].push_back(-9.81376976e-14); + thermo_.high[129].push_back(-5.92858085e+04); + thermo_.high[129].push_back(-1.29605491e+02); + thermo_.low[129].push_back(-5.14358533e+00); + thermo_.low[129].push_back(1.04677305e-01); + thermo_.low[129].push_back(-7.31699422e-05); + thermo_.low[129].push_back(2.49749842e-08); + thermo_.low[129].push_back(-3.34346697e-12); + thermo_.low[129].push_back(-4.70212678e+04); + thermo_.low[129].push_back(5.47785441e+01); +} + +{ + thermo_.name[130] = "MTBEOQOOH"; + thermo_.high[130].push_back(2.60727575e+01); + thermo_.high[130].push_back(2.16561735e-02); + thermo_.high[130].push_back(-7.50837024e-06); + thermo_.high[130].push_back(1.18094191e-09); + thermo_.high[130].push_back(-6.95946679e-14); + thermo_.high[130].push_back(-6.60762157e+04); + thermo_.high[130].push_back(-1.03020582e+02); + thermo_.low[130].push_back(2.39248713e+00); + thermo_.low[130].push_back(7.57825058e-02); + thermo_.low[130].push_back(-5.39023694e-05); + thermo_.low[130].push_back(1.88548464e-08); + thermo_.low[130].push_back(-2.59443816e-12); + thermo_.low[130].push_back(-5.77881211e+04); + thermo_.low[130].push_back(2.44748876e+01); +} + +{ + thermo_.name[131] = "IC3H5CHO"; + thermo_.high[131].push_back(8.96605760e+00); + thermo_.high[131].push_back(2.20962385e-02); + thermo_.high[131].push_back(-1.00901145e-05); + thermo_.high[131].push_back(2.22139279e-09); + thermo_.high[131].push_back(-1.91792264e-13); + thermo_.high[131].push_back(-1.79920102e+04); + thermo_.high[131].push_back(-2.11939239e+01); + thermo_.low[131].push_back(6.92941977e-01); + thermo_.low[131].push_back(4.62513206e-02); + thermo_.low[131].push_back(-3.65372847e-05); + thermo_.low[131].push_back(1.50910620e-08); + thermo_.low[131].push_back(-2.54027204e-12); + thermo_.low[131].push_back(-1.57251765e+04); + thermo_.low[131].push_back(2.13235423e+01); +} + +{ + thermo_.name[132] = "MCYC6"; + thermo_.high[132].push_back(1.67194568e+01); + thermo_.high[132].push_back(4.36180644e-02); + thermo_.high[132].push_back(-1.87773363e-05); + thermo_.high[132].push_back(3.92059023e-09); + thermo_.high[132].push_back(-3.26702984e-13); + thermo_.high[132].push_back(-2.91866300e+04); + thermo_.high[132].push_back(-7.40611877e+01); + thermo_.low[132].push_back(-1.01006358e+01); + thermo_.low[132].push_back(1.03218270e-01); + thermo_.low[132].push_back(-6.84441744e-05); + thermo_.low[132].push_back(2.23157154e-08); + thermo_.low[132].push_back(-2.88158149e-12); + thermo_.low[132].push_back(-1.95313967e+04); + thermo_.low[132].push_back(7.10947481e+01); +} + +{ + thermo_.name[133] = "CH3CHO"; + thermo_.high[133].push_back(6.27018126e+00); + thermo_.high[133].push_back(1.06201871e-02); + thermo_.high[133].push_back(-3.82264672e-06); + thermo_.high[133].push_back(6.56340789e-10); + thermo_.high[133].push_back(-4.60549581e-14); + thermo_.high[133].push_back(-2.29794782e+04); + thermo_.high[133].push_back(-8.60119259e+00); + thermo_.low[133].push_back(9.91751377e-01); + thermo_.low[133].push_back(2.23500313e-02); + thermo_.low[133].push_back(-1.35975169e-05); + thermo_.low[133].push_back(4.27666307e-09); + thermo_.low[133].push_back(-5.48877497e-13); + thermo_.low[133].push_back(-2.10792434e+04); + thermo_.low[133].push_back(1.99667711e+01); +} + +{ + thermo_.name[134] = "CH3CO3"; + thermo_.high[134].push_back(1.40469381e+01); + thermo_.high[134].push_back(2.48483421e-03); + thermo_.high[134].push_back(1.65900438e-06); + thermo_.high[134].push_back(-8.55133987e-10); + thermo_.high[134].push_back(9.82287242e-14); + thermo_.high[134].push_back(-2.73756816e+04); + thermo_.high[134].push_back(-4.36816972e+01); + thermo_.low[134].push_back(2.64892548e+00); + thermo_.low[134].push_back(2.83894083e-02); + thermo_.low[134].push_back(-2.04187576e-05); + thermo_.low[134].push_back(7.50765465e-09); + thermo_.low[134].push_back(-1.08966739e-12); + thermo_.low[134].push_back(-2.33635811e+04); + thermo_.low[134].push_back(1.77505788e+01); +} + +{ + thermo_.name[135] = "C10H7CH3"; + thermo_.high[135].push_back(1.59718633e+01); + thermo_.high[135].push_back(4.84656090e-02); + thermo_.high[135].push_back(-2.27123224e-05); + thermo_.high[135].push_back(5.09437338e-09); + thermo_.high[135].push_back(-4.47432797e-13); + thermo_.high[135].push_back(5.32412011e+03); + thermo_.high[135].push_back(-6.35417268e+01); + thermo_.low[135].push_back(-7.85505905e+00); + thermo_.low[135].push_back(1.16542530e-01); + thermo_.low[135].push_back(-9.56518805e-05); + thermo_.low[135].push_back(3.98274963e-08); + thermo_.low[135].push_back(-6.64977617e-12); + thermo_.low[135].push_back(1.19956584e+04); + thermo_.low[135].push_back(5.94264980e+01); +} + +{ + thermo_.name[136] = "CH3OO"; + thermo_.high[136].push_back(3.46521970e+00); + thermo_.high[136].push_back(1.23938518e-02); + thermo_.high[136].push_back(-5.59614682e-06); + thermo_.high[136].push_back(1.22616716e-09); + thermo_.high[136].push_back(-1.06238815e-13); + thermo_.high[136].push_back(6.86982281e+02); + thermo_.high[136].push_back(1.04298931e+01); + thermo_.low[136].push_back(4.30117244e+00); + thermo_.low[136].push_back(9.82168948e-03); + thermo_.low[136].push_back(-2.62826727e-06); + thermo_.low[136].push_back(-2.95822349e-10); + thermo_.low[136].push_back(1.86451475e-13); + thermo_.low[136].push_back(4.69634569e+02); + thermo_.low[136].push_back(6.17758023e+00); +} + +{ + thermo_.name[137] = "CH3OOH"; + thermo_.high[137].push_back(5.50146514e+00); + thermo_.high[137].push_back(1.13975421e-02); + thermo_.high[137].push_back(-3.82130848e-06); + thermo_.high[137].push_back(4.38704910e-10); + thermo_.high[137].push_back(-2.90617476e-15); + thermo_.high[137].push_back(-1.79784234e+04); + thermo_.high[137].push_back(-4.65581411e-01); + thermo_.low[137].push_back(5.93430876e+00); + thermo_.low[137].push_back(1.04356674e-02); + thermo_.low[137].push_back(-3.01974623e-06); + thermo_.low[137].push_back(1.41830001e-10); + thermo_.low[137].push_back(3.83264515e-14); + thermo_.low[137].push_back(-1.81342471e+04); + thermo_.low[137].push_back(-2.80822136e+00); +} + +{ + thermo_.name[138] = "MTBE"; + thermo_.high[138].push_back(9.85250854e+00); + thermo_.high[138].push_back(4.01896195e-02); + thermo_.high[138].push_back(-1.66704212e-05); + thermo_.high[138].push_back(3.10158953e-09); + thermo_.high[138].push_back(-2.11537799e-13); + thermo_.high[138].push_back(-4.09274217e+04); + thermo_.high[138].push_back(-2.61941109e+01); + thermo_.low[138].push_back(-1.85856423e+00); + thermo_.low[138].push_back(7.56777188e-02); + thermo_.low[138].push_back(-5.69978068e-05); + thermo_.low[138].push_back(2.34689560e-08); + thermo_.low[138].push_back(-4.06899357e-12); + thermo_.low[138].push_back(-3.78356985e+04); + thermo_.low[138].push_back(3.35564110e+01); +} + +{ + thermo_.name[139] = "N2"; + thermo_.high[139].push_back(2.71287897e+00); + thermo_.high[139].push_back(1.90359754e-03); + thermo_.high[139].push_back(-8.54297556e-07); + thermo_.high[139].push_back(1.84170938e-10); + thermo_.high[139].push_back(-1.54715988e-14); + thermo_.high[139].push_back(-8.40225273e+02); + thermo_.high[139].push_back(7.15926558e+00); + thermo_.low[139].push_back(3.85321336e+00); + thermo_.low[139].push_back(-2.44053349e-03); + thermo_.low[139].push_back(5.35160392e-06); + thermo_.low[139].push_back(-3.75608397e-09); + thermo_.low[139].push_back(9.22684330e-13); + thermo_.low[139].push_back(-1.07969550e+03); + thermo_.low[139].push_back(1.60217419e+00); +} + +{ + thermo_.name[140] = "C10H7OH"; + thermo_.high[140].push_back(2.61818224e+01); + thermo_.high[140].push_back(2.47079229e-02); + thermo_.high[140].push_back(-8.75472975e-06); + thermo_.high[140].push_back(1.41213209e-09); + thermo_.high[140].push_back(-8.61580367e-14); + thermo_.high[140].push_back(-1.58338687e+04); + thermo_.high[140].push_back(-1.19314317e+02); + thermo_.low[140].push_back(-3.09194614e+00); + thermo_.low[140].push_back(9.23929369e-02); + thermo_.low[140].push_back(-6.74411581e-05); + thermo_.low[140].push_back(2.40273261e-08); + thermo_.low[140].push_back(-3.35424965e-12); + thermo_.low[140].push_back(-5.70514482e+03); + thermo_.low[140].push_back(3.79602738e+01); +} + +{ + thermo_.name[141] = "C10H7CHO"; + thermo_.high[141].push_back(2.76873866e+01); + thermo_.high[141].push_back(2.65153545e-02); + thermo_.high[141].push_back(-9.85230690e-06); + thermo_.high[141].push_back(1.73492056e-09); + thermo_.high[141].push_back(-1.21699947e-13); + thermo_.high[141].push_back(-1.08926269e+04); + thermo_.high[141].push_back(-1.25645702e+02); + thermo_.low[141].push_back(-1.80645208e+00); + thermo_.low[141].push_back(9.20572182e-02); + thermo_.low[141].push_back(-6.44705267e-05); + thermo_.low[141].push_back(2.19638908e-08); + thermo_.low[141].push_back(-2.93127915e-12); + thermo_.low[141].push_back(-2.74844971e+02); + thermo_.low[141].push_back(3.39811053e+01); +} + +{ + thermo_.name[142] = "CH3C10H6OH"; + thermo_.high[142].push_back(2.91191869e+01); + thermo_.high[142].push_back(2.86451308e-02); + thermo_.high[142].push_back(-9.80098219e-06); + thermo_.high[142].push_back(1.51374083e-09); + thermo_.high[142].push_back(-8.72237944e-14); + thermo_.high[142].push_back(-2.13626711e+04); + thermo_.high[142].push_back(-1.32660114e+02); + thermo_.low[142].push_back(-1.76841814e+00); + thermo_.low[142].push_back(9.72842531e-02); + thermo_.low[142].push_back(-6.70002508e-05); + thermo_.low[142].push_back(2.26986551e-08); + thermo_.low[142].push_back(-3.02957300e-12); + thermo_.low[142].push_back(-1.02431333e+04); + thermo_.low[142].push_back(3.45100483e+01); +} + +{ + thermo_.name[143] = "CH3C10H6O"; + thermo_.high[143].push_back(2.60936624e+01); + thermo_.high[143].push_back(3.24954978e-02); + thermo_.high[143].push_back(-1.30480618e-05); + thermo_.high[143].push_back(2.52260906e-09); + thermo_.high[143].push_back(-1.95492396e-13); + thermo_.high[143].push_back(-2.87396993e+03); + thermo_.high[143].push_back(-1.14905139e+02); + thermo_.low[143].push_back(-1.85059487e+00); + thermo_.low[143].push_back(9.45938472e-02); + thermo_.low[143].push_back(-6.47966864e-05); + thermo_.low[143].push_back(2.16887663e-08); + thermo_.low[143].push_back(-2.85745868e-12); + thermo_.low[143].push_back(7.18596268e+03); + thermo_.low[143].push_back(3.63350107e+01); +} + +{ + thermo_.name[144] = "NC4H9P"; + thermo_.high[144].push_back(3.94763005e+00); + thermo_.high[144].push_back(3.16286394e-02); + thermo_.high[144].push_back(-1.12984867e-05); + thermo_.high[144].push_back(1.11637452e-09); + thermo_.high[144].push_back(5.54031592e-14); + thermo_.high[144].push_back(6.05554723e+03); + thermo_.high[144].push_back(7.76350069e+00); + thermo_.low[144].push_back(-2.76188363e-01); + thermo_.low[144].push_back(4.94131380e-02); + thermo_.low[144].push_back(-3.93792739e-05); + thermo_.low[144].push_back(2.08221901e-08); + thermo_.low[144].push_back(-5.13033778e-12); + thermo_.low[144].push_back(6.85807273e+03); + thermo_.low[144].push_back(2.79243294e+01); +} + +{ + thermo_.name[145] = "NC4H9S"; + thermo_.high[145].push_back(3.40122925e+00); + thermo_.high[145].push_back(3.20901864e-02); + thermo_.high[145].push_back(-1.12255471e-05); + thermo_.high[145].push_back(9.71712129e-10); + thermo_.high[145].push_back(8.30726251e-14); + thermo_.high[145].push_back(4.66283102e+03); + thermo_.high[145].push_back(1.05291640e+01); + thermo_.low[145].push_back(2.36336476e-01); + thermo_.low[145].push_back(4.69837994e-02); + thermo_.low[145].push_back(-3.75083937e-05); + thermo_.low[145].push_back(2.15857094e-08); + thermo_.low[145].push_back(-5.97986776e-12); + thermo_.low[145].push_back(5.20086279e+03); + thermo_.low[145].push_back(2.52835872e+01); +} + +{ + thermo_.name[146] = "NC4H10"; + thermo_.high[146].push_back(1.54355362e+01); + thermo_.high[146].push_back(1.56272553e-02); + thermo_.high[146].push_back(-3.14852000e-06); + thermo_.high[146].push_back(-5.94424182e-11); + thermo_.high[146].push_back(5.32964635e-14); + thermo_.high[146].push_back(-2.28455262e+04); + thermo_.high[146].push_back(-6.02417835e+01); + thermo_.low[146].push_back(-1.20836758e+00); + thermo_.low[146].push_back(5.26137081e-02); + thermo_.low[146].push_back(-3.39705640e-05); + thermo_.low[146].push_back(1.13561294e-08); + thermo_.low[146].push_back(-1.53219963e-12); + thermo_.low[146].push_back(-1.68537208e+04); + thermo_.low[146].push_back(2.98384958e+01); +} + +{ + thermo_.name[147] = "NC10H22"; + thermo_.high[147].push_back(2.92878918e+01); + thermo_.high[147].push_back(5.29920990e-02); + thermo_.high[147].push_back(-1.98404553e-05); + thermo_.high[147].push_back(3.55616370e-09); + thermo_.high[147].push_back(-2.54281184e-13); + thermo_.high[147].push_back(-4.56232379e+04); + thermo_.high[147].push_back(-1.22752047e+02); + thermo_.low[147].push_back(-2.17870143e+00); + thermo_.low[147].push_back(1.22917862e-01); + thermo_.low[147].push_back(-7.81119243e-05); + thermo_.low[147].push_back(2.51381893e-08); + thermo_.low[147].push_back(-3.25178473e-12); + thermo_.low[147].push_back(-3.42952643e+04); + thermo_.low[147].push_back(4.75517200e+01); +} + +{ + thermo_.name[148] = "NC12H26"; + thermo_.high[148].push_back(3.61414095e+01); + thermo_.high[148].push_back(6.11045883e-02); + thermo_.high[148].push_back(-2.24641073e-05); + thermo_.high[148].push_back(3.93182440e-09); + thermo_.high[148].push_back(-2.73349362e-13); + thermo_.high[148].push_back(-5.40359186e+04); + thermo_.high[148].push_back(-1.56831960e+02); + thermo_.low[148].push_back(-2.66627705e+00); + thermo_.low[148].push_back(1.47343892e-01); + thermo_.low[148].push_back(-9.43301934e-05); + thermo_.low[148].push_back(3.05488933e-08); + thermo_.low[148].push_back(-3.97016449e-12); + thermo_.low[148].push_back(-4.00651514e+04); + thermo_.low[148].push_back(5.32033350e+01); +} + +{ + thermo_.name[149] = "NC5H12"; + thermo_.high[149].push_back(2.12559082e+01); + thermo_.high[149].push_back(1.49866375e-02); + thermo_.high[149].push_back(-1.56738312e-06); + thermo_.high[149].push_back(-4.84518435e-10); + thermo_.high[149].push_back(9.00436509e-14); + thermo_.high[149].push_back(-2.80668702e+04); + thermo_.high[149].push_back(-9.05497671e+01); + thermo_.low[149].push_back(-1.97000865e+00); + thermo_.low[149].push_back(6.65997861e-02); + thermo_.low[149].push_back(-4.45783403e-05); + thermo_.low[149].push_back(1.54454657e-08); + thermo_.low[149].push_back(-2.12245414e-12); + thermo_.low[149].push_back(-1.97055401e+04); + thermo_.low[149].push_back(3.51537401e+01); +} + +{ + thermo_.name[150] = "NC7H16"; + thermo_.high[150].push_back(3.10696120e+01); + thermo_.high[150].push_back(1.73458864e-02); + thermo_.high[150].push_back(-4.57663884e-07); + thermo_.high[150].push_back(-1.06280964e-09); + thermo_.high[150].push_back(1.59098857e-13); + thermo_.high[150].push_back(-3.76541592e+04); + thermo_.high[150].push_back(-1.40920497e+02); + thermo_.low[150].push_back(-2.76912812e+00); + thermo_.low[150].push_back(9.25430866e-02); + thermo_.low[150].push_back(-6.31219974e-05); + thermo_.low[150].push_back(2.21462028e-08); + thermo_.low[150].push_back(-3.06437509e-12); + thermo_.low[150].push_back(-2.54722127e+04); + thermo_.low[150].push_back(4.22218230e+01); +} + +{ + thermo_.name[151] = "NEOC5H12"; + thermo_.high[151].push_back(1.58220811e+01); + thermo_.high[151].push_back(2.73824077e-02); + thermo_.high[151].push_back(-1.01392581e-05); + thermo_.high[151].push_back(1.77707009e-09); + thermo_.high[151].push_back(-1.22756971e-13); + thermo_.high[151].push_back(-2.85197010e+04); + thermo_.high[151].push_back(-6.62488521e+01); + thermo_.low[151].push_back(-2.62463460e+00); + thermo_.low[151].push_back(7.07864446e-02); + thermo_.low[151].push_back(-4.84369376e-05); + thermo_.low[151].push_back(1.67957680e-08); + thermo_.low[151].push_back(-2.33138901e-12); + thermo_.low[151].push_back(-2.22478177e+04); + thermo_.low[151].push_back(3.25342362e+01); +} + +{ + thermo_.name[152] = "NC3H7"; + thermo_.high[152].push_back(8.44692954e+00); + thermo_.high[152].push_back(1.52881013e-02); + thermo_.high[152].push_back(-4.72394213e-06); + thermo_.high[152].push_back(3.72053769e-10); + thermo_.high[152].push_back(2.77825399e-14); + thermo_.high[152].push_back(7.24499466e+03); + thermo_.high[152].push_back(-1.97652064e+01); + thermo_.low[152].push_back(5.40130268e-01); + thermo_.low[152].push_back(3.44560996e-02); + thermo_.low[152].push_back(-2.21493951e-05); + thermo_.low[152].push_back(7.41264082e-09); + thermo_.low[152].push_back(-1.03897307e-12); + thermo_.low[152].push_back(9.85423842e+03); + thermo_.low[152].push_back(2.23400592e+01); +} + +{ + thermo_.name[153] = "NC3H7OO"; + thermo_.high[153].push_back(9.25591855e+00); + thermo_.high[153].push_back(2.27563801e-02); + thermo_.high[153].push_back(-9.54934453e-06); + thermo_.high[153].push_back(1.92559464e-09); + thermo_.high[153].push_back(-1.53946670e-13); + thermo_.high[153].push_back(-9.34005086e+03); + thermo_.high[153].push_back(-1.86388081e+01); + thermo_.low[153].push_back(1.92964396e+00); + thermo_.low[153].push_back(4.05170458e-02); + thermo_.low[153].push_back(-2.56954042e-05); + thermo_.low[153].push_back(8.44925513e-09); + thermo_.low[153].push_back(-1.14238008e-12); + thermo_.low[153].push_back(-6.92238025e+03); + thermo_.low[153].push_back(2.03750491e+01); +} + +{ + thermo_.name[154] = "NC3QOOH"; + thermo_.high[154].push_back(1.29748618e+01); + thermo_.high[154].push_back(1.76433870e-02); + thermo_.high[154].push_back(-7.16935406e-06); + thermo_.high[154].push_back(1.42696153e-09); + thermo_.high[154].push_back(-1.14477043e-13); + thermo_.high[154].push_back(-5.86411825e+03); + thermo_.high[154].push_back(-3.67690498e+01); + thermo_.low[154].push_back(1.55643299e+00); + thermo_.low[154].push_back(4.30176732e-02); + thermo_.low[154].push_back(-2.83145926e-05); + thermo_.low[154].push_back(9.25853134e-09); + thermo_.low[154].push_back(-1.20219507e-12); + thermo_.low[154].push_back(-1.75348388e+03); + thermo_.low[154].push_back(2.50298688e+01); +} + +{ + thermo_.name[155] = "NC3OOQOOH"; + thermo_.high[155].push_back(1.11683562e+01); + thermo_.high[155].push_back(2.95822139e-02); + thermo_.high[155].push_back(-1.42526305e-05); + thermo_.high[155].push_back(3.27126849e-09); + thermo_.high[155].push_back(-2.92476812e-13); + thermo_.high[155].push_back(-2.00281219e+04); + thermo_.high[155].push_back(-2.06289848e+01); + thermo_.low[155].push_back(2.57588692e+00); + thermo_.low[155].push_back(5.68598942e-02); + thermo_.low[155].push_back(-4.67260594e-05); + thermo_.low[155].push_back(2.04529769e-08); + thermo_.low[155].push_back(-3.70154594e-12); + thermo_.low[155].push_back(-1.78628196e+04); + thermo_.low[155].push_back(2.28105329e+01); +} + +{ + thermo_.name[156] = "O"; + thermo_.high[156].push_back(2.57318360e+00); + thermo_.high[156].push_back(-8.95609984e-05); + thermo_.high[156].push_back(4.05096303e-08); + thermo_.high[156].push_back(-8.39812674e-12); + thermo_.high[156].push_back(9.43621991e-16); + thermo_.high[156].push_back(2.92191409e+04); + thermo_.high[156].push_back(4.74952023e+00); + thermo_.low[156].push_back(2.95200330e+00); + thermo_.low[156].push_back(-1.68459131e-03); + thermo_.low[156].push_back(2.55897854e-06); + thermo_.low[156].push_back(-1.77574473e-09); + thermo_.low[156].push_back(4.66034833e-13); + thermo_.low[156].push_back(2.91471652e+04); + thermo_.low[156].push_back(2.94136507e+00); +} + +{ + thermo_.name[157] = "O2"; + thermo_.high[157].push_back(2.81750648e+00); + thermo_.high[157].push_back(2.49838007e-03); + thermo_.high[157].push_back(-1.52493521e-06); + thermo_.high[157].push_back(4.50547608e-10); + thermo_.high[157].push_back(-4.87702792e-14); + thermo_.high[157].push_back(-9.31713392e+02); + thermo_.high[157].push_back(7.94729337e+00); + thermo_.low[157].push_back(3.46035080e+00); + thermo_.low[157].push_back(-8.85011121e-04); + thermo_.low[157].push_back(5.15281056e-06); + thermo_.low[157].push_back(-5.40712413e-09); + thermo_.low[157].push_back(1.87809542e-12); + thermo_.low[157].push_back(-1.02942573e+03); + thermo_.low[157].push_back(5.02236126e+00); +} + +{ + thermo_.name[158] = "OH"; + thermo_.high[158].push_back(3.62538436e+00); + thermo_.high[158].push_back(-5.02165281e-04); + thermo_.high[158].push_back(8.36958463e-07); + thermo_.high[158].push_back(-2.95714531e-10); + thermo_.high[158].push_back(3.30350486e-14); + thermo_.high[158].push_back(3.41380110e+03); + thermo_.high[158].push_back(1.55419440e+00); + thermo_.low[158].push_back(3.37995109e+00); + thermo_.low[158].push_back(6.13440526e-04); + thermo_.low[158].push_back(-1.06464235e-06); + thermo_.low[158].push_back(1.14489214e-09); + thermo_.low[158].push_back(-3.76228211e-13); + thermo_.low[158].push_back(3.45699735e+03); + thermo_.low[158].push_back(2.70689352e+00); +} + +{ + thermo_.name[159] = "IC8H16"; + thermo_.high[159].push_back(1.88616063e+01); + thermo_.high[159].push_back(4.14292819e-02); + thermo_.high[159].push_back(-1.28170544e-05); + thermo_.high[159].push_back(1.66806736e-09); + thermo_.high[159].push_back(-6.58961711e-14); + thermo_.high[159].push_back(-2.24684067e+04); + thermo_.high[159].push_back(-7.38514296e+01); + thermo_.low[159].push_back(-5.35586581e+00); + thermo_.low[159].push_back(1.10622059e-01); + thermo_.low[159].push_back(-8.69521729e-05); + thermo_.low[159].push_back(3.69705048e-08); + thermo_.low[159].push_back(-6.36990285e-12); + thermo_.low[159].push_back(-1.56875145e+04); + thermo_.low[159].push_back(5.11323811e+01); +} + +{ + thermo_.name[160] = "NC5H10"; + thermo_.high[160].push_back(1.11929736e+01); + thermo_.high[160].push_back(2.82582223e-02); + thermo_.high[160].push_back(-1.13863841e-05); + thermo_.high[160].push_back(2.22526491e-09); + thermo_.high[160].push_back(-1.74280993e-13); + thermo_.high[160].push_back(-1.02483443e+04); + thermo_.high[160].push_back(-3.39253533e+01); + thermo_.low[160].push_back(-6.89551964e-01); + thermo_.low[160].push_back(5.46638348e-02); + thermo_.low[160].push_back(-3.33910611e-05); + thermo_.low[160].push_back(1.03751453e-08); + thermo_.low[160].push_back(-1.30620882e-12); + thermo_.low[160].push_back(-5.97063504e+03); + thermo_.low[160].push_back(3.03853541e+01); +} + +{ + thermo_.name[161] = "PC3H4"; + thermo_.high[161].push_back(3.04156590e+00); + thermo_.high[161].push_back(1.80732925e-02); + thermo_.high[161].push_back(-9.19849468e-06); + thermo_.high[161].push_back(2.29161583e-09); + thermo_.high[161].push_back(-2.25689445e-13); + thermo_.high[161].push_back(2.06214251e+04); + thermo_.high[161].push_back(7.37493873e+00); + thermo_.low[161].push_back(1.35943188e+00); + thermo_.low[161].push_back(2.53869187e-02); + thermo_.low[161].push_back(-2.11228852e-05); + thermo_.low[161].push_back(1.09324785e-08); + thermo_.low[161].push_back(-2.57374996e-12); + thermo_.low[161].push_back(2.09309378e+04); + thermo_.low[161].push_back(1.53500040e+01); +} + +{ + thermo_.name[162] = "CH3CO3H"; + thermo_.high[162].push_back(1.54960865e+01); + thermo_.high[162].push_back(1.58758106e-03); + thermo_.high[162].push_back(2.24425901e-06); + thermo_.high[162].push_back(-9.74237206e-10); + thermo_.high[162].push_back(1.03773065e-13); + thermo_.high[162].push_back(-4.69655432e+04); + thermo_.high[162].push_back(-5.18401164e+01); + thermo_.low[162].push_back(3.62388957e+00); + thermo_.low[162].push_back(2.85698467e-02); + thermo_.low[162].push_back(-2.07519902e-05); + thermo_.low[162].push_back(7.73646324e-09); + thermo_.low[162].push_back(-1.13354234e-12); + thermo_.low[162].push_back(-4.27865299e+04); + thermo_.low[162].push_back(1.21478877e+01); +} + +{ + thermo_.name[163] = "HCO3H"; + thermo_.high[163].push_back(1.00230668e+01); + thermo_.high[163].push_back(4.43563253e-03); + thermo_.high[163].push_back(-1.56188514e-06); + thermo_.high[163].push_back(2.43424395e-10); + thermo_.high[163].push_back(-1.38391379e-14); + thermo_.high[163].push_back(-3.81313332e+04); + thermo_.high[163].push_back(-2.33590722e+01); + thermo_.low[163].push_back(2.47434199e+00); + thermo_.low[163].push_back(2.16898607e-02); + thermo_.low[163].push_back(-1.63512235e-05); + thermo_.low[163].push_back(5.87745807e-09); + thermo_.low[163].push_back(-8.18701091e-13); + thermo_.low[163].push_back(-3.54892796e+04); + thermo_.low[163].push_back(1.72835470e+01); +} + +{ + thermo_.name[164] = "C3H6O"; + thermo_.high[164].push_back(6.42754902e+00); + thermo_.high[164].push_back(2.00818525e-02); + thermo_.high[164].push_back(-6.55464685e-06); + thermo_.high[164].push_back(4.84306793e-10); + thermo_.high[164].push_back(5.68893699e-14); + thermo_.high[164].push_back(-1.48035725e+04); + thermo_.high[164].push_back(-9.71995026e+00); + thermo_.low[164].push_back(-9.99780843e-02); + thermo_.low[164].push_back(3.52621481e-02); + thermo_.low[164].push_back(-1.97932767e-05); + thermo_.low[164].push_back(5.61555868e-09); + thermo_.low[164].push_back(-6.88932126e-13); + thermo_.low[164].push_back(-1.25581031e+04); + thermo_.low[164].push_back(2.53116313e+01); +} + +{ + thermo_.name[165] = "C5H8"; + thermo_.high[165].push_back(8.95829159e+00); + thermo_.high[165].push_back(2.51033002e-02); + thermo_.high[165].push_back(-8.43679234e-06); + thermo_.high[165].push_back(8.19905621e-10); + thermo_.high[165].push_back(3.11426511e-14); + thermo_.high[165].push_back(4.67953300e+03); + thermo_.high[165].push_back(-2.40439628e+01); + thermo_.low[165].push_back(1.19183502e+00); + thermo_.low[165].push_back(4.68276543e-02); + thermo_.low[165].push_back(-3.12245763e-05); + thermo_.low[165].push_back(1.14435811e-08); + thermo_.low[165].push_back(-1.82614328e-12); + thermo_.low[165].push_back(6.90073958e+03); + thermo_.low[165].push_back(1.62025638e+01); +} + +{ + thermo_.name[166] = "C16H10"; + thermo_.high[166].push_back(3.55205969e+01); + thermo_.high[166].push_back(2.97059226e-02); + thermo_.high[166].push_back(-5.18577408e-06); + thermo_.high[166].push_back(-7.74976601e-10); + thermo_.high[166].push_back(2.05764301e-13); + thermo_.high[166].push_back(1.13998034e+04); + thermo_.high[166].push_back(-1.72584653e+02); + thermo_.low[166].push_back(-1.43149515e+01); + thermo_.low[166].push_back(1.69106058e-01); + thermo_.low[166].push_back(-1.51409692e-04); + thermo_.low[166].push_back(6.73946823e-08); + thermo_.low[166].push_back(-1.17120082e-11); + thermo_.low[166].push_back(2.56527702e+04); + thermo_.low[166].push_back(8.56679628e+01); +} + +{ + thermo_.name[167] = "NC10QOOH"; + thermo_.high[167].push_back(3.67714538e+01); + thermo_.high[167].push_back(4.56787199e-02); + thermo_.high[167].push_back(-1.56929249e-05); + thermo_.high[167].push_back(2.49979255e-09); + thermo_.high[167].push_back(-1.53467299e-13); + thermo_.high[167].push_back(-3.72897414e+04); + thermo_.high[167].push_back(-1.54708984e+02); + thermo_.low[167].push_back(8.46533635e-01); + thermo_.low[167].push_back(1.25511876e-01); + thermo_.low[167].push_back(-8.22205548e-05); + thermo_.low[167].push_back(2.71396555e-08); + thermo_.low[167].push_back(-3.57567048e-12); + thermo_.low[167].push_back(-2.43567701e+04); + thermo_.low[167].push_back(3.97241784e+01); +} + +{ + thermo_.name[168] = "NC12QOOH"; + thermo_.high[168].push_back(4.28763735e+01); + thermo_.high[168].push_back(5.51011626e-02); + thermo_.high[168].push_back(-1.90602563e-05); + thermo_.high[168].push_back(3.05791504e-09); + thermo_.high[168].push_back(-1.89217484e-13); + thermo_.high[168].push_back(-4.53973988e+04); + thermo_.high[168].push_back(-1.84606456e+02); + thermo_.low[168].push_back(5.27389362e-01); + thermo_.low[168].push_back(1.49210016e-01); + thermo_.low[168].push_back(-9.74843011e-05); + thermo_.low[168].push_back(3.21038575e-08); + thermo_.low[168].push_back(-4.22337617e-12); + thermo_.low[168].push_back(-3.01517645e+04); + thermo_.low[168].push_back(4.45950809e+01); +} + +{ + thermo_.name[169] = "C2QOOH"; + thermo_.high[169].push_back(7.85685775e+00); + thermo_.high[169].push_back(1.67911217e-02); + thermo_.high[169].push_back(-7.79621720e-06); + thermo_.high[169].push_back(1.73782470e-09); + thermo_.high[169].push_back(-1.51982948e-13); + thermo_.high[169].push_back(7.20248835e+02); + thermo_.high[169].push_back(-1.06887184e+01); + thermo_.low[169].push_back(8.24295798e-01); + thermo_.low[169].push_back(3.89409231e-02); + thermo_.low[169].push_back(-3.39574000e-05); + thermo_.low[169].push_back(1.54707291e-08); + thermo_.low[169].push_back(-2.85531058e-12); + thermo_.low[169].push_back(2.50651957e+03); + thermo_.low[169].push_back(2.49202290e+01); +} + +{ + thermo_.name[170] = "C2OOQOOH"; + thermo_.high[170].push_back(1.24323243e+01); + thermo_.high[170].push_back(1.62358927e-02); + thermo_.high[170].push_back(-6.84260319e-06); + thermo_.high[170].push_back(1.39267431e-09); + thermo_.high[170].push_back(-1.12911127e-13); + thermo_.high[170].push_back(-1.87641105e+04); + thermo_.high[170].push_back(-2.90906767e+01); + thermo_.low[170].push_back(5.81911522e+00); + thermo_.low[170].push_back(3.09319129e-02); + thermo_.low[170].push_back(-1.90892866e-05); + thermo_.low[170].push_back(5.92848300e-09); + thermo_.low[170].push_back(-7.42884555e-13); + thermo_.low[170].push_back(-1.63833552e+04); + thermo_.low[170].push_back(6.70139036e+00); +} + +{ + thermo_.name[171] = "C2OQOOH"; + thermo_.high[171].push_back(1.06961666e+01); + thermo_.high[171].push_back(1.25934013e-02); + thermo_.high[171].push_back(-5.32391821e-06); + thermo_.high[171].push_back(1.08565058e-09); + thermo_.high[171].push_back(-8.80671200e-14); + thermo_.high[171].push_back(-3.42000230e+04); + thermo_.high[171].push_back(-2.43964294e+01); + thermo_.low[171].push_back(5.53941294e+00); + thermo_.low[171].push_back(2.40528540e-02); + thermo_.low[171].push_back(-1.48734621e-05); + thermo_.low[171].push_back(4.62251869e-09); + thermo_.low[171].push_back(-5.79298801e-13); + thermo_.low[171].push_back(-3.23435917e+04); + thermo_.low[171].push_back(3.51299738e+00); +} + +{ + thermo_.name[172] = "NC4QOOH"; + thermo_.high[172].push_back(1.83774568e+01); + thermo_.high[172].push_back(1.83354725e-02); + thermo_.high[172].push_back(-6.23923380e-06); + thermo_.high[172].push_back(9.66797421e-10); + thermo_.high[172].push_back(-5.61281943e-14); + thermo_.high[172].push_back(-1.29135491e+04); + thermo_.high[172].push_back(-6.55986639e+01); + thermo_.low[172].push_back(1.19976578e+00); + thermo_.low[172].push_back(5.73756794e-02); + thermo_.low[172].push_back(-3.95121374e-05); + thermo_.low[172].push_back(1.35701700e-08); + thermo_.low[172].push_back(-1.84637998e-12); + thermo_.low[172].push_back(-6.86700189e+03); + thermo_.low[172].push_back(2.69845517e+01); +} + +{ + thermo_.name[173] = "NC5QOOH"; + thermo_.high[173].push_back(1.36538194e+01); + thermo_.high[173].push_back(3.77860020e-02); + thermo_.high[173].push_back(-1.75151081e-05); + thermo_.high[173].push_back(3.90394425e-09); + thermo_.high[173].push_back(-3.41708560e-13); + thermo_.high[173].push_back(-1.43879859e+04); + thermo_.high[173].push_back(-3.94678819e+01); + thermo_.low[173].push_back(-5.74283055e-01); + thermo_.low[173].push_back(8.15647789e-02); + thermo_.low[173].push_back(-6.80290814e-05); + thermo_.low[173].push_back(2.98085460e-08); + thermo_.low[173].push_back(-5.32336273e-12); + thermo_.low[173].push_back(-1.06886793e+04); + thermo_.low[173].push_back(3.29074336e+01); +} + +{ + thermo_.name[174] = "NC7QOOH"; + thermo_.high[174].push_back(3.67777501e+01); + thermo_.high[174].push_back(2.43465392e-02); + thermo_.high[174].push_back(-1.65378817e-05); + thermo_.high[174].push_back(5.22869888e-09); + thermo_.high[174].push_back(-5.85107382e-13); + thermo_.high[174].push_back(-2.84549794e+04); + thermo_.high[174].push_back(-1.65059640e+02); + thermo_.low[174].push_back(-2.87358792e+00); + thermo_.low[174].push_back(1.12460624e-01); + thermo_.low[174].push_back(-8.99662853e-05); + thermo_.low[174].push_back(3.24244039e-08); + thermo_.low[174].push_back(-4.36228864e-12); + thermo_.low[174].push_back(-1.41804977e+04); + thermo_.low[174].push_back(4.95416730e+01); +} + +{ + thermo_.name[175] = "DMEQOOH"; + thermo_.high[175].push_back(9.52551493e+00); + thermo_.high[175].push_back(1.89562856e-02); + thermo_.high[175].push_back(-9.27557330e-06); + thermo_.high[175].push_back(2.15192754e-09); + thermo_.high[175].push_back(-1.93905680e-13); + thermo_.high[175].push_back(-1.72537528e+04); + thermo_.high[175].push_back(-1.74698518e+01); + thermo_.low[175].push_back(5.12252607e+00); + thermo_.low[175].push_back(2.87407053e-02); + thermo_.low[175].push_back(-1.74292564e-05); + thermo_.low[175].push_back(5.17181016e-09); + thermo_.low[175].push_back(-6.13333823e-13); + thermo_.low[175].push_back(-1.56686768e+04); + thermo_.low[175].push_back(6.36004246e+00); +} + +{ + thermo_.name[176] = "IC16QOOH"; + thermo_.high[176].push_back(4.22439745e+01); + thermo_.high[176].push_back(1.02589738e-01); + thermo_.high[176].push_back(-4.54459633e-05); + thermo_.high[176].push_back(9.70909447e-09); + thermo_.high[176].push_back(-8.19911243e-13); + thermo_.high[176].push_back(-6.26654622e+04); + thermo_.high[176].push_back(-1.86283114e+02); + thermo_.low[176].push_back(-7.79323360e+00); + thermo_.low[176].push_back(2.39677979e-01); + thermo_.low[176].push_back(-1.86290047e-04); + thermo_.low[176].push_back(7.40214614e-08); + thermo_.low[176].push_back(-1.18323028e-11); + thermo_.low[176].push_back(-4.80545975e+04); + thermo_.low[176].push_back(7.40533932e+01); +} + +{ + thermo_.name[177] = "IC16TQOOH"; + thermo_.high[177].push_back(5.03537527e+01); + thermo_.high[177].push_back(8.72534729e-02); + thermo_.high[177].push_back(-3.55849544e-05); + thermo_.high[177].push_back(6.99643634e-09); + thermo_.high[177].push_back(-5.47405935e-13); + thermo_.high[177].push_back(-6.86134004e+04); + thermo_.high[177].push_back(-2.32227161e+02); + thermo_.low[177].push_back(-7.33743336e+00); + thermo_.low[177].push_back(2.35179591e-01); + thermo_.low[177].push_back(-1.77821606e-04); + thermo_.low[177].push_back(6.77813303e-08); + thermo_.low[177].push_back(-1.02885748e-11); + thermo_.low[177].push_back(-5.06137504e+04); + thermo_.low[177].push_back(7.17539151e+01); +} + +{ + thermo_.name[178] = "IC8QOOH"; + thermo_.high[178].push_back(2.59202581e+01); + thermo_.high[178].push_back(4.65574275e-02); + thermo_.high[178].push_back(-1.91478836e-05); + thermo_.high[178].push_back(3.78861311e-09); + thermo_.high[178].push_back(-2.97862012e-13); + thermo_.high[178].push_back(-2.91331926e+04); + thermo_.high[178].push_back(-1.00455337e+02); + thermo_.low[178].push_back(-9.92411236e-01); + thermo_.low[178].push_back(1.15564272e-01); + thermo_.low[178].push_back(-8.55006187e-05); + thermo_.low[178].push_back(3.21444828e-08); + thermo_.low[178].push_back(-4.84207190e-12); + thermo_.low[178].push_back(-2.07364398e+04); + thermo_.low[178].push_back(4.13504180e+01); +} + +{ + thermo_.name[179] = "IC4PQOOH"; + thermo_.high[179].push_back(1.14809469e+01); + thermo_.high[179].push_back(3.08095616e-02); + thermo_.high[179].push_back(-1.41939360e-05); + thermo_.high[179].push_back(3.14755455e-09); + thermo_.high[179].push_back(-2.74422165e-13); + thermo_.high[179].push_back(-7.45268236e+03); + thermo_.high[179].push_back(-2.80879239e+01); + thermo_.low[179].push_back(-1.93281563e-01); + thermo_.low[179].push_back(6.53998681e-02); + thermo_.low[179].push_back(-5.26276099e-05); + thermo_.low[179].push_back(2.21271466e-08); + thermo_.low[179].push_back(-3.78916143e-12); + thermo_.low[179].push_back(-4.30064068e+03); + thermo_.low[179].push_back(3.17369695e+01); +} + +{ + thermo_.name[180] = "IC4TQOOH"; + thermo_.high[180].push_back(1.20890742e+01); + thermo_.high[180].push_back(3.03954175e-02); + thermo_.high[180].push_back(-1.40883982e-05); + thermo_.high[180].push_back(3.13822121e-09); + thermo_.high[180].push_back(-2.74437748e-13); + thermo_.high[180].push_back(-1.09705556e+04); + thermo_.high[180].push_back(-3.28537329e+01); + thermo_.low[180].push_back(-4.26302143e-01); + thermo_.low[180].push_back(6.98139255e-02); + thermo_.low[180].push_back(-6.06456912e-05); + thermo_.low[180].push_back(2.75777451e-08); + thermo_.low[180].push_back(-5.08536764e-12); + thermo_.low[180].push_back(-7.79165002e+03); + thermo_.low[180].push_back(3.05171096e+01); +} + +{ + thermo_.name[181] = "MCYC6QOOH"; + thermo_.high[181].push_back(2.93659891e+01); + thermo_.high[181].push_back(2.65374271e-02); + thermo_.high[181].push_back(-8.30522001e-06); + thermo_.high[181].push_back(1.12153176e-09); + thermo_.high[181].push_back(-5.23348938e-14); + thermo_.high[181].push_back(-2.28599204e+04); + thermo_.high[181].push_back(-1.33867706e+02); + thermo_.low[181].push_back(-7.82169678e+00); + thermo_.low[181].push_back(1.09176729e-01); + thermo_.low[181].push_back(-7.71713049e-05); + thermo_.low[181].push_back(2.66274891e-08); + thermo_.low[181].push_back(-3.59482897e-12); + thermo_.low[181].push_back(-9.47235352e+03); + thermo_.low[181].push_back(6.73998075e+01); +} + +{ + thermo_.name[182] = "MTBEQOOH"; + thermo_.high[182].push_back(1.54436171e+01); + thermo_.high[182].push_back(3.66620452e-02); + thermo_.high[182].push_back(-1.53964703e-05); + thermo_.high[182].push_back(3.18866664e-09); + thermo_.high[182].push_back(-2.64826209e-13); + thermo_.high[182].push_back(-2.86187067e+04); + thermo_.high[182].push_back(-4.25445321e+01); + thermo_.low[182].push_back(1.39866729e+00); + thermo_.low[182].push_back(7.92224991e-02); + thermo_.low[182].push_back(-6.37606224e-05); + thermo_.low[182].push_back(2.76150061e-08); + thermo_.low[182].push_back(-4.89102686e-12); + thermo_.low[182].push_back(-2.49108399e+04); + thermo_.low[182].push_back(2.91135557e+01); +} + +{ + thermo_.name[183] = "NEOC5QOOH"; + thermo_.high[183].push_back(1.86197530e+01); + thermo_.high[183].push_back(2.85111424e-02); + thermo_.high[183].push_back(-1.13969334e-05); + thermo_.high[183].push_back(2.18137254e-09); + thermo_.high[183].push_back(-1.65768942e-13); + thermo_.high[183].push_back(-1.50391446e+04); + thermo_.high[183].push_back(-6.74883738e+01); + thermo_.low[183].push_back(1.48070310e+00); + thermo_.low[183].push_back(7.05701605e-02); + thermo_.low[183].push_back(-5.01015514e-05); + thermo_.low[183].push_back(1.80114821e-08); + thermo_.low[183].push_back(-2.59369986e-12); + thermo_.low[183].push_back(-9.45181437e+03); + thermo_.low[183].push_back(2.35714319e+01); +} + +{ + thermo_.name[184] = "IC8TQOOH"; + thermo_.high[184].push_back(2.59202581e+01); + thermo_.high[184].push_back(4.65574275e-02); + thermo_.high[184].push_back(-1.91478836e-05); + thermo_.high[184].push_back(3.78861311e-09); + thermo_.high[184].push_back(-2.97862012e-13); + thermo_.high[184].push_back(-2.91331926e+04); + thermo_.high[184].push_back(-1.00455337e+02); + thermo_.low[184].push_back(-9.92411236e-01); + thermo_.low[184].push_back(1.15564272e-01); + thermo_.low[184].push_back(-8.55006187e-05); + thermo_.low[184].push_back(3.21444828e-08); + thermo_.low[184].push_back(-4.84207190e-12); + thermo_.low[184].push_back(-2.07364398e+04); + thermo_.low[184].push_back(4.13504180e+01); +} + +{ + thermo_.name[185] = "MCYC6TQOOH"; + thermo_.high[185].push_back(2.93659891e+01); + thermo_.high[185].push_back(2.65374271e-02); + thermo_.high[185].push_back(-8.30522001e-06); + thermo_.high[185].push_back(1.12153176e-09); + thermo_.high[185].push_back(-5.23348938e-14); + thermo_.high[185].push_back(-2.28599204e+04); + thermo_.high[185].push_back(-1.33867706e+02); + thermo_.low[185].push_back(-7.82169678e+00); + thermo_.low[185].push_back(1.09176729e-01); + thermo_.low[185].push_back(-7.71713049e-05); + thermo_.low[185].push_back(2.66274891e-08); + thermo_.low[185].push_back(-3.59482897e-12); + thermo_.low[185].push_back(-9.47235352e+03); + thermo_.low[185].push_back(6.73998075e+01); +} + +{ + thermo_.name[186] = "NC10H21"; + thermo_.high[186].push_back(2.63212692e+01); + thermo_.high[186].push_back(5.52219738e-02); + thermo_.high[186].push_back(-2.21266526e-05); + thermo_.high[186].push_back(4.33498891e-09); + thermo_.high[186].push_back(-3.42316503e-13); + thermo_.high[186].push_back(-2.10175171e+04); + thermo_.high[186].push_back(-1.03192977e+02); + thermo_.low[186].push_back(-1.81057271e+00); + thermo_.low[186].push_back(1.17737178e-01); + thermo_.low[186].push_back(-7.42226562e-05); + thermo_.low[186].push_back(2.36298050e-08); + thermo_.low[186].push_back(-3.02215208e-12); + thermo_.low[186].push_back(-1.08900540e+04); + thermo_.low[186].push_back(4.90624204e+01); +} + +{ + thermo_.name[187] = "NC10H21OO"; + thermo_.high[187].push_back(3.23779830e+01); + thermo_.high[187].push_back(5.24885367e-02); + thermo_.high[187].push_back(-1.93370131e-05); + thermo_.high[187].push_back(3.35369674e-09); + thermo_.high[187].push_back(-2.28448799e-13); + thermo_.high[187].push_back(-4.06447276e+04); + thermo_.high[187].push_back(-1.32098961e+02); + thermo_.low[187].push_back(1.67478189e+00); + thermo_.low[187].push_back(1.20717872e-01); + thermo_.low[187].push_back(-7.61947929e-05); + thermo_.low[187].push_back(2.44121337e-08); + thermo_.low[187].push_back(-3.15323171e-12); + thermo_.low[187].push_back(-2.95915752e+04); + thermo_.low[187].push_back(3.40731686e+01); +} + +{ + thermo_.name[188] = "NC12H25"; + thermo_.high[188].push_back(3.17005579e+01); + thermo_.high[188].push_back(6.61544325e-02); + thermo_.high[188].push_back(-2.66295229e-05); + thermo_.high[188].push_back(5.21804509e-09); + thermo_.high[188].push_back(-4.10998518e-13); + thermo_.high[188].push_back(-2.88525898e+04); + thermo_.high[188].push_back(-1.31607624e+02); + thermo_.low[188].push_back(-2.06085145e+00); + thermo_.low[188].push_back(1.41179787e-01); + thermo_.low[188].push_back(-8.91506513e-05); + thermo_.low[188].push_back(2.83740186e-08); + thermo_.low[188].push_back(-3.62710595e-12); + thermo_.low[188].push_back(-1.66984825e+04); + thermo_.low[188].push_back(5.11161660e+01); +} + +{ + thermo_.name[189] = "NC12H25OO"; + thermo_.high[189].push_back(3.82754174e+01); + thermo_.high[189].push_back(6.23046009e-02); + thermo_.high[189].push_back(-2.29785783e-05); + thermo_.high[189].push_back(3.99220438e-09); + thermo_.high[189].push_back(-2.72630412e-13); + thermo_.high[189].push_back(-4.86703034e+04); + thermo_.high[189].push_back(-1.60846136e+02); + thermo_.low[189].push_back(1.39669302e+00); + thermo_.low[189].push_back(1.44257322e-01); + thermo_.low[189].push_back(-9.12725124e-05); + thermo_.low[189].push_back(2.92862540e-08); + thermo_.low[189].push_back(-3.78569287e-12); + thermo_.low[189].push_back(-3.53939626e+04); + thermo_.low[189].push_back(3.87492139e+01); +} + +{ + thermo_.name[190] = "C2H4OH"; + thermo_.high[190].push_back(6.43071837e+00); + thermo_.high[190].push_back(1.30529032e-02); + thermo_.high[190].push_back(-5.04234033e-06); + thermo_.high[190].push_back(9.42421880e-10); + thermo_.high[190].push_back(-7.06192378e-14); + thermo_.high[190].push_back(-6.84254175e+03); + thermo_.high[190].push_back(-6.40643970e+00); + thermo_.low[190].push_back(1.19058412e+00); + thermo_.low[190].push_back(2.46976460e-02); + thermo_.low[190].push_back(-1.47462926e-05); + thermo_.low[190].push_back(4.53647829e-09); + thermo_.low[190].push_back(-5.69793739e-13); + thermo_.low[190].push_back(-4.95609342e+03); + thermo_.low[190].push_back(2.19542600e+01); +} + +{ + thermo_.name[191] = "CH2CHO"; + thermo_.high[191].push_back(3.66502520e+00); + thermo_.high[191].push_back(1.44768244e-02); + thermo_.high[191].push_back(-7.23266377e-06); + thermo_.high[191].push_back(1.70580456e-09); + thermo_.high[191].push_back(-1.56345856e-13); + thermo_.high[191].push_back(-3.68579193e+01); + thermo_.high[191].push_back(5.92341850e+00); + thermo_.low[191].push_back(2.15742069e-01); + thermo_.low[191].push_back(2.78720987e-02); + thermo_.low[191].push_back(-2.67403448e-05); + thermo_.low[191].push_back(1.43321353e-08); + thermo_.low[191].push_back(-3.22098924e-12); + thermo_.low[191].push_back(6.73694406e+02); + thermo_.low[191].push_back(2.26661724e+01); +} + +{ + thermo_.name[192] = "CH3CHOH"; + thermo_.high[192].push_back(1.00303702e+00); + thermo_.high[192].push_back(2.30237358e-02); + thermo_.high[192].push_back(-1.19372743e-05); + thermo_.high[192].push_back(2.98274467e-09); + thermo_.high[192].push_back(-2.88183748e-13); + thermo_.high[192].push_back(-6.17751011e+03); + thermo_.high[192].push_back(2.39401608e+01); + thermo_.low[192].push_back(1.83915526e+00); + thermo_.low[192].push_back(1.82459173e-02); + thermo_.low[192].push_back(-1.69909177e-06); + thermo_.low[192].push_back(-6.76790535e-09); + thermo_.low[192].push_back(3.19419126e-12); + thermo_.low[192].push_back(-6.29456667e+03); + thermo_.low[192].push_back(2.02045961e+01); +} + +{ + thermo_.name[193] = "NC4H9OO"; + thermo_.high[193].push_back(8.96630114e+00); + thermo_.high[193].push_back(3.41074657e-02); + thermo_.high[193].push_back(-1.57641000e-05); + thermo_.high[193].push_back(3.50715782e-09); + thermo_.high[193].push_back(-3.06662916e-13); + thermo_.high[193].push_back(-1.40847395e+04); + thermo_.high[193].push_back(-1.58347447e+01); + thermo_.low[193].push_back(9.44281655e-01); + thermo_.low[193].push_back(5.84166156e-02); + thermo_.low[193].push_back(-4.33881341e-05); + thermo_.low[193].push_back(1.74586902e-08); + thermo_.low[193].push_back(-2.94899859e-12); + thermo_.low[193].push_back(-1.19669263e+04); + thermo_.low[193].push_back(2.50940293e+01); +} + +{ + thermo_.name[194] = "NC5H11"; + thermo_.high[194].push_back(6.93193785e+00); + thermo_.high[194].push_back(3.75440987e-02); + thermo_.high[194].push_back(-1.65478566e-05); + thermo_.high[194].push_back(3.53633643e-09); + thermo_.high[194].push_back(-2.99976701e-13); + thermo_.high[194].push_back(-1.73087074e+03); + thermo_.high[194].push_back(-8.88710670e+00); + thermo_.low[194].push_back(-3.57520449e+00); + thermo_.low[194].push_back(6.08933039e-02); + thermo_.low[194].push_back(-3.60055276e-05); + thermo_.low[194].push_back(1.07428812e-08); + thermo_.low[194].push_back(-1.30088570e-12); + thermo_.low[194].push_back(2.05170050e+03); + thermo_.low[194].push_back(4.79797395e+01); +} + +{ + thermo_.name[195] = "NC5H12OO"; + thermo_.high[195].push_back(1.06544848e+01); + thermo_.high[195].push_back(4.16170555e-02); + thermo_.high[195].push_back(-1.93382868e-05); + thermo_.high[195].push_back(4.32113942e-09); + thermo_.high[195].push_back(-3.79088223e-13); + thermo_.high[195].push_back(-1.98652039e+04); + thermo_.high[195].push_back(-2.50234586e+01); + thermo_.low[195].push_back(3.19664880e-01); + thermo_.low[195].push_back(7.34165014e-02); + thermo_.low[195].push_back(-5.60299551e-05); + thermo_.low[195].push_back(2.31373796e-08); + thermo_.low[195].push_back(-3.99759595e-12); + thermo_.low[195].push_back(-1.71781508e+04); + thermo_.low[195].push_back(2.75475609e+01); +} + +{ + thermo_.name[196] = "NC7H15"; + thermo_.high[196].push_back(1.58938298e+01); + thermo_.high[196].push_back(4.32851195e-02); + thermo_.high[196].push_back(-1.83429598e-05); + thermo_.high[196].push_back(3.81524632e-09); + thermo_.high[196].push_back(-3.18291961e-13); + thermo_.high[196].push_back(-8.33589206e+03); + thermo_.high[196].push_back(-5.34387877e+01); + thermo_.low[196].push_back(-1.03213606e+00); + thermo_.low[196].push_back(8.08983770e-02); + thermo_.low[196].push_back(-4.96873411e-05); + thermo_.low[196].push_back(1.54242764e-08); + thermo_.low[196].push_back(-1.93065725e-12); + thermo_.low[196].push_back(-2.24254435e+03); + thermo_.low[196].push_back(3.81680705e+01); +} + +{ + thermo_.name[197] = "NC7H15OO"; + thermo_.high[197].push_back(2.68006146e+01); + thermo_.high[197].push_back(3.35780866e-02); + thermo_.high[197].push_back(-1.17982179e-05); + thermo_.high[197].push_back(1.89992229e-09); + thermo_.high[197].push_back(-1.16218734e-13); + thermo_.high[197].push_back(-2.33388920e+04); + thermo_.high[197].push_back(-1.06550436e+02); + thermo_.low[197].push_back(1.92333992e+00); + thermo_.low[197].push_back(8.94820746e-02); + thermo_.low[197].push_back(-5.89083201e-05); + thermo_.low[197].push_back(1.95441553e-08); + thermo_.low[197].push_back(-2.59434135e-12); + thermo_.low[197].push_back(-1.44825822e+04); + thermo_.low[197].push_back(2.78126029e+01); +} + +{ + thermo_.name[198] = "C12H7"; + thermo_.high[198].push_back(1.23349807e+01); + thermo_.high[198].push_back(5.16907682e-02); + thermo_.high[198].push_back(-2.72404819e-05); + thermo_.high[198].push_back(6.85858162e-09); + thermo_.high[198].push_back(-6.72018930e-13); + thermo_.high[198].push_back(5.30394981e+04); + thermo_.high[198].push_back(-4.25244963e+01); + thermo_.low[198].push_back(-8.02968441e+00); + thermo_.low[198].push_back(1.16857696e-01); + thermo_.low[198].push_back(-1.05440796e-04); + thermo_.low[198].push_back(4.85654157e-08); + thermo_.low[198].push_back(-9.01338574e-12); + thermo_.low[198].push_back(5.81306643e+04); + thermo_.low[198].push_back(6.02674845e+01); +} + +{ + thermo_.name[199] = "CH3COCH2"; + thermo_.high[199].push_back(9.24187097e+00); + thermo_.high[199].push_back(1.34946785e-02); + thermo_.high[199].push_back(-5.23722666e-06); + thermo_.high[199].push_back(9.72748882e-10); + thermo_.high[199].push_back(-7.19834442e-14); + thermo_.high[199].push_back(-8.04571079e+03); + thermo_.high[199].push_back(-2.24258259e+01); + thermo_.low[199].push_back(1.82620860e+00); + thermo_.low[199].push_back(2.99739283e-02); + thermo_.low[199].push_back(-1.89699348e-05); + thermo_.low[199].push_back(6.05893707e-09); + thermo_.low[199].push_back(-7.78398470e-13); + thermo_.low[199].push_back(-5.37607233e+03); + thermo_.low[199].push_back(1.77092859e+01); +} + +{ + thermo_.name[200] = "C2H4CHO"; + thermo_.high[200].push_back(2.15579434e+00); + thermo_.high[200].push_back(2.57531407e-02); + thermo_.high[200].push_back(-1.33069384e-05); + thermo_.high[200].push_back(3.28122872e-09); + thermo_.high[200].push_back(-3.12828174e-13); + thermo_.high[200].push_back(-7.31459492e+02); + thermo_.high[200].push_back(1.94816815e+01); + thermo_.low[200].push_back(3.58641615e+00); + thermo_.low[200].push_back(1.82235522e-02); + thermo_.low[200].push_back(1.55409151e-06); + thermo_.low[200].push_back(-9.75476244e-09); + thermo_.low[200].push_back(3.97532681e-12); + thermo_.low[200].push_back(-9.48914007e+02); + thermo_.low[200].push_back(1.29723736e+01); +} + +{ + thermo_.name[201] = "CYC6OO"; + thermo_.high[201].push_back(1.87814621e+01); + thermo_.high[201].push_back(3.54361927e-02); + thermo_.high[201].push_back(-1.49718784e-05); + thermo_.high[201].push_back(3.04328287e-09); + thermo_.high[201].push_back(-2.46478319e-13); + thermo_.high[201].push_back(-1.95252830e+04); + thermo_.high[201].push_back(-7.87240875e+01); + thermo_.low[201].push_back(-6.50623568e+00); + thermo_.low[201].push_back(9.16310766e-02); + thermo_.low[201].push_back(-6.18009483e-05); + thermo_.low[201].push_back(2.03873828e-08); + thermo_.low[201].push_back(-2.65538109e-12); + thermo_.low[201].push_back(-1.04217118e+04); + thermo_.low[201].push_back(5.81382079e+01); +} + +{ + thermo_.name[202] = "CYC6H11"; + thermo_.high[202].push_back(1.12879190e+01); + thermo_.high[202].push_back(3.94798364e-02); + thermo_.high[202].push_back(-1.80474738e-05); + thermo_.high[202].push_back(3.97976998e-09); + thermo_.high[202].push_back(-3.47933573e-13); + thermo_.high[202].push_back(4.69934406e+02); + thermo_.high[202].push_back(-4.15743644e+01); + thermo_.low[202].push_back(-9.20200373e+00); + thermo_.low[202].push_back(8.50129981e-02); + thermo_.low[202].push_back(-5.59917752e-05); + thermo_.low[202].push_back(1.80332150e-08); + thermo_.low[202].push_back(-2.29980093e-12); + thermo_.low[202].push_back(7.84630661e+03); + thermo_.low[202].push_back(6.93213721e+01); +} + +{ + thermo_.name[203] = "CYC6H9"; + thermo_.high[203].push_back(1.41670463e+01); + thermo_.high[203].push_back(2.75651338e-02); + thermo_.high[203].push_back(-1.13337615e-05); + thermo_.high[203].push_back(2.23021652e-09); + thermo_.high[203].push_back(-1.74683445e-13); + thermo_.high[203].push_back(7.93866332e+03); + thermo_.high[203].push_back(-5.85441979e+01); + thermo_.low[203].push_back(-6.48639356e+00); + thermo_.low[203].push_back(7.34616669e-02); + thermo_.low[203].push_back(-4.95808724e-05); + thermo_.low[203].push_back(1.63958131e-08); + thermo_.low[203].push_back(-2.14212742e-12); + thermo_.low[203].push_back(1.53739017e+04); + thermo_.low[203].push_back(5.32365273e+01); +} + +{ + thermo_.name[204] = "CYC5H5"; + thermo_.high[204].push_back(4.01652575e+00); + thermo_.high[204].push_back(2.68451891e-02); + thermo_.high[204].push_back(-1.26423018e-05); + thermo_.high[204].push_back(2.78092332e-09); + thermo_.high[204].push_back(-2.35299436e-13); + thermo_.high[204].push_back(2.91110159e+04); + thermo_.high[204].push_back(1.44025794e+00); + thermo_.low[204].push_back(-2.58737408e+00); + thermo_.low[204].push_back(6.45817595e-02); + thermo_.low[204].push_back(-9.35063814e-05); + thermo_.low[204].push_back(7.97943325e-08); + thermo_.low[204].push_back(-2.77400884e-11); + thermo_.low[204].push_back(3.00355619e+04); + thermo_.low[204].push_back(3.09448116e+01); +} + +{ + thermo_.name[205] = "RDIPE"; + thermo_.high[205].push_back(1.69549494e+01); + thermo_.high[205].push_back(3.45118423e-02); + thermo_.high[205].push_back(-1.31342732e-05); + thermo_.high[205].push_back(2.36150213e-09); + thermo_.high[205].push_back(-1.67133125e-13); + thermo_.high[205].push_back(-2.78147477e+04); + thermo_.high[205].push_back(-5.54607975e+01); + thermo_.low[205].push_back(6.91787207e-01); + thermo_.low[205].push_back(7.06522027e-02); + thermo_.low[205].push_back(-4.32512401e-05); + thermo_.low[205].push_back(1.35159343e-08); + thermo_.low[205].push_back(-1.71635982e-12); + thermo_.low[205].push_back(-2.19600093e+04); + thermo_.low[205].push_back(3.25588287e+01); +} + +{ + thermo_.name[206] = "CH3OCH2"; + thermo_.high[206].push_back(2.76373432e+00); + thermo_.high[206].push_back(2.09427776e-02); + thermo_.high[206].push_back(-1.03906311e-05); + thermo_.high[206].push_back(2.45853855e-09); + thermo_.high[206].push_back(-2.25935821e-13); + thermo_.high[206].push_back(-6.59718889e+02); + thermo_.high[206].push_back(1.23154396e+01); + thermo_.low[206].push_back(2.98724171e+00); + thermo_.low[206].push_back(1.97507382e-02); + thermo_.low[206].push_back(-8.00655224e-06); + thermo_.low[206].push_back(3.39357381e-10); + thermo_.low[206].push_back(4.80457902e-13); + thermo_.low[206].push_back(-6.93244997e+02); + thermo_.low[206].push_back(1.13014447e+01); +} + +{ + thermo_.name[207] = "DMEOO"; + thermo_.high[207].push_back(3.58974575e+00); + thermo_.high[207].push_back(2.80960123e-02); + thermo_.high[207].push_back(-1.49224205e-05); + thermo_.high[207].push_back(3.71355557e-09); + thermo_.high[207].push_back(-3.53703711e-13); + thermo_.high[207].push_back(-1.93352293e+04); + thermo_.high[207].push_back(1.47278303e+01); + thermo_.low[207].push_back(5.41345468e+00); + thermo_.low[207].push_back(1.97111437e-02); + thermo_.low[207].push_back(-4.65750394e-07); + thermo_.low[207].push_back(-7.36435253e-09); + thermo_.low[207].push_back(2.82960321e-12); + thermo_.low[207].push_back(-1.96525546e+04); + thermo_.low[207].push_back(6.18346241e+00); +} + +{ + thermo_.name[208] = "C6H4C2H"; + thermo_.high[208].push_back(3.21415686e+01); + thermo_.high[208].push_back(-1.98168404e-02); + thermo_.high[208].push_back(2.64282529e-05); + thermo_.high[208].push_back(-1.09843473e-08); + thermo_.high[208].push_back(1.50630597e-12); + thermo_.high[208].push_back(5.44964091e+04); + thermo_.high[208].push_back(-1.47026437e+02); + thermo_.low[208].push_back(-4.78252619e+00); + thermo_.low[208].push_back(7.93082463e-02); + thermo_.low[208].push_back(-7.33621030e-05); + thermo_.low[208].push_back(3.36645815e-08); + thermo_.low[208].push_back(-5.98512503e-12); + thermo_.low[208].push_back(6.54997893e+04); + thermo_.low[208].push_back(4.58354239e+01); +} + +{ + thermo_.name[209] = "RBIPHENYL"; + thermo_.high[209].push_back(2.67692078e+01); + thermo_.high[209].push_back(2.81611415e-02); + thermo_.high[209].push_back(-6.05667723e-06); + thermo_.high[209].push_back(-3.69378426e-10); + thermo_.high[209].push_back(1.67249382e-13); + thermo_.high[209].push_back(3.92769947e+04); + thermo_.high[209].push_back(-1.21306413e+02); + thermo_.low[209].push_back(-1.05625108e+01); + thermo_.low[209].push_back(1.31145193e-01); + thermo_.low[209].push_back(-1.12591903e-04); + thermo_.low[209].push_back(4.86123345e-08); + thermo_.low[209].push_back(-8.27787353e-12); + thermo_.low[209].push_back(5.01031931e+04); + thermo_.low[209].push_back(7.26686556e+01); +} + +{ + thermo_.name[210] = "C14H9"; + thermo_.high[210].push_back(3.13141255e+01); + thermo_.high[210].push_back(2.89528714e-02); + thermo_.high[210].push_back(-5.57670990e-06); + thermo_.high[210].push_back(-5.89662906e-10); + thermo_.high[210].push_back(1.88202945e-13); + thermo_.high[210].push_back(4.06560892e+04); + thermo_.high[210].push_back(-1.48101025e+02); + thermo_.low[210].push_back(-1.21905872e+01); + thermo_.low[210].push_back(1.50644375e-01); + thermo_.low[210].push_back(-1.33225141e-04); + thermo_.low[210].push_back(5.89200950e-08); + thermo_.low[210].push_back(-1.02156009e-11); + thermo_.low[210].push_back(5.30984370e+04); + thermo_.low[210].push_back(7.73445897e+01); +} + +{ + thermo_.name[211] = "C10H7"; + thermo_.high[211].push_back(1.86034915e+01); + thermo_.high[211].push_back(2.84557463e-02); + thermo_.high[211].push_back(-7.51492092e-06); + thermo_.high[211].push_back(8.59843958e-11); + thermo_.high[211].push_back(1.31843536e-13); + thermo_.high[211].push_back(3.89175328e+04); + thermo_.high[211].push_back(-7.96671600e+01); + thermo_.low[211].push_back(-8.11601745e+00); + thermo_.low[211].push_back(1.02676605e-01); + thermo_.low[211].push_back(-8.48283149e-05); + thermo_.low[211].push_back(3.58792224e-08); + thermo_.low[211].push_back(-6.08226028e-12); + thermo_.low[211].push_back(4.66127513e+04); + thermo_.low[211].push_back(5.89821104e+01); +} + +{ + thermo_.name[212] = "IC16H33OO"; + thermo_.high[212].push_back(3.94749769e+01); + thermo_.high[212].push_back(1.06211481e-01); + thermo_.high[212].push_back(-4.74108472e-05); + thermo_.high[212].push_back(1.02029370e-08); + thermo_.high[212].push_back(-8.67107397e-13); + thermo_.high[212].push_back(-6.81954459e+04); + thermo_.high[212].push_back(-1.73182708e+02); + thermo_.low[212].push_back(-7.55515778e+00); + thermo_.low[212].push_back(2.35061165e-01); + thermo_.low[212].push_back(-1.79790660e-04); + thermo_.low[212].push_back(7.06503399e-08); + thermo_.low[212].push_back(-1.12176901e-11); + thermo_.low[212].push_back(-5.44626465e+04); + thermo_.low[212].push_back(7.15084222e+01); +} + +{ + thermo_.name[213] = "IC16H33"; + thermo_.high[213].push_back(5.11453588e+01); + thermo_.high[213].push_back(7.53296743e-02); + thermo_.high[213].push_back(-2.79263242e-05); + thermo_.high[213].push_back(4.92908201e-09); + thermo_.high[213].push_back(-3.44364401e-13); + thermo_.high[213].push_back(-5.61938874e+04); + thermo_.high[213].push_back(-2.43048234e+02); + thermo_.low[213].push_back(-8.95216175e+00); + thermo_.low[213].push_back(2.21020633e-01); + thermo_.low[213].push_back(-1.60372651e-04); + thermo_.low[213].push_back(5.84427492e-08); + thermo_.low[213].push_back(-8.45249579e-12); + thermo_.low[213].push_back(-3.63617056e+04); + thermo_.low[213].push_back(7.69829165e+01); +} + +{ + thermo_.name[214] = "IC8H17"; + thermo_.high[214].push_back(2.65104230e+01); + thermo_.high[214].push_back(3.01796816e-02); + thermo_.high[214].push_back(-5.82184991e-06); + thermo_.high[214].push_back(1.42085860e-11); + thermo_.high[214].push_back(7.60110759e-14); + thermo_.high[214].push_back(-1.80373025e+04); + thermo_.high[214].push_back(-1.14981197e+02); + thermo_.low[214].push_back(-3.32961207e+00); + thermo_.low[214].push_back(1.08192845e-01); + thermo_.low[214].push_back(-8.23053435e-05); + thermo_.low[214].push_back(3.33403496e-08); + thermo_.low[214].push_back(-5.36943680e-12); + thermo_.low[214].push_back(-8.90625182e+03); + thermo_.low[214].push_back(4.16697269e+01); +} + +{ + thermo_.name[215] = "IC8H17OO"; + thermo_.high[215].push_back(2.43863221e+01); + thermo_.high[215].push_back(4.79091863e-02); + thermo_.high[215].push_back(-1.96116165e-05); + thermo_.high[215].push_back(3.85759153e-09); + thermo_.high[215].push_back(-3.01446048e-13); + thermo_.high[215].push_back(-3.51809040e+04); + thermo_.high[215].push_back(-9.31491997e+01); + thermo_.low[215].push_back(-7.10506923e-01); + thermo_.low[215].push_back(1.10651259e-01); + thermo_.low[215].push_back(-7.84323095e-05); + thermo_.low[215].push_back(2.83662136e-08); + thermo_.low[215].push_back(-4.13091825e-12); + thermo_.low[215].push_back(-2.71499187e+04); + thermo_.low[215].push_back(3.97240936e+01); +} + +{ + thermo_.name[216] = "INDENYL"; + thermo_.high[216].push_back(1.63412613e+01); + thermo_.high[216].push_back(3.01210631e-02); + thermo_.high[216].push_back(-1.29067938e-05); + thermo_.high[216].push_back(2.63187626e-09); + thermo_.high[216].push_back(-2.11554314e-13); + thermo_.high[216].push_back(2.91054096e+04); + thermo_.high[216].push_back(-6.81510017e+01); + thermo_.low[216].push_back(-5.81714820e+00); + thermo_.low[216].push_back(8.55170869e-02); + thermo_.low[216].push_back(-6.48405661e-05); + thermo_.low[216].push_back(2.42709481e-08); + thermo_.low[216].push_back(-3.59265929e-12); + thermo_.low[216].push_back(3.61961007e+04); + thermo_.low[216].push_back(4.91650485e+01); +} + +{ + thermo_.name[217] = "RMCYC6OO"; + thermo_.high[217].push_back(2.27624311e+01); + thermo_.high[217].push_back(3.77290665e-02); + thermo_.high[217].push_back(-1.50512076e-05); + thermo_.high[217].push_back(2.88934934e-09); + thermo_.high[217].push_back(-2.22140396e-13); + thermo_.high[217].push_back(-2.53740824e+04); + thermo_.high[217].push_back(-9.90983226e+01); + thermo_.low[217].push_back(-6.71698823e+00); + thermo_.low[217].push_back(1.03238887e-01); + thermo_.low[217].push_back(-6.96427248e-05); + thermo_.low[217].push_back(2.31084298e-08); + thermo_.low[217].push_back(-3.03034602e-12); + thermo_.low[217].push_back(-1.47614915e+04); + thermo_.low[217].push_back(6.04504445e+01); +} + +{ + thermo_.name[218] = "RMCYC6"; + thermo_.high[218].push_back(1.73339062e+01); + thermo_.high[218].push_back(3.85260822e-02); + thermo_.high[218].push_back(-1.58310821e-05); + thermo_.high[218].push_back(3.15191459e-09); + thermo_.high[218].push_back(-2.53163787e-13); + thermo_.high[218].push_back(-5.89957980e+03); + thermo_.high[218].push_back(-7.33836419e+01); + thermo_.low[218].push_back(-9.95790329e+00); + thermo_.low[218].push_back(9.91745477e-02); + thermo_.low[218].push_back(-6.63714701e-05); + thermo_.low[218].push_back(2.18705768e-08); + thermo_.low[218].push_back(-2.85297798e-12); + thermo_.low[218].push_back(3.92547162e+03); + thermo_.low[218].push_back(7.43253244e+01); +} + +{ + thermo_.name[219] = "C10H7CH2"; + thermo_.high[219].push_back(1.62958766e+01); + thermo_.high[219].push_back(4.54296741e-02); + thermo_.high[219].push_back(-2.13529357e-05); + thermo_.high[219].push_back(4.77934912e-09); + thermo_.high[219].push_back(-4.18010504e-13); + thermo_.high[219].push_back(2.55100815e+04); + thermo_.high[219].push_back(-6.47739136e+01); + thermo_.low[219].push_back(-5.20583638e+00); + thermo_.low[219].push_back(1.04338477e-01); + thermo_.low[219].push_back(-8.18756782e-05); + thermo_.low[219].push_back(3.24153046e-08); + thermo_.low[219].push_back(-5.15019466e-12); + thermo_.low[219].push_back(3.17885817e+04); + thermo_.low[219].push_back(4.70964540e+01); +} + +{ + thermo_.name[220] = "C10H6CH3"; + thermo_.high[220].push_back(2.12659882e+01); + thermo_.high[220].push_back(3.44429430e-02); + thermo_.high[220].push_back(-1.39605695e-05); + thermo_.high[220].push_back(2.72496148e-09); + thermo_.high[220].push_back(-2.12674976e-13); + thermo_.high[220].push_back(3.28507521e+04); + thermo_.high[220].push_back(-9.11529083e+01); + thermo_.low[220].push_back(-1.92673037e+00); + thermo_.low[220].push_back(8.59823175e-02); + thermo_.low[220].push_back(-5.69100482e-05); + thermo_.low[220].push_back(1.86321758e-08); + thermo_.low[220].push_back(-2.42201030e-12); + thermo_.low[220].push_back(4.12001308e+04); + thermo_.low[220].push_back(3.43709226e+01); +} + +{ + thermo_.name[221] = "C6H4CH3"; + thermo_.high[221].push_back(1.23344954e+01); + thermo_.high[221].push_back(2.38147082e-02); + thermo_.high[221].push_back(-7.01721971e-06); + thermo_.high[221].push_back(3.58622104e-10); + thermo_.high[221].push_back(7.92842393e-14); + thermo_.high[221].push_back(2.97091697e+04); + thermo_.high[221].push_back(-3.94240761e+01); + thermo_.low[221].push_back(-4.14387803e+00); + thermo_.low[221].push_back(6.92722902e-02); + thermo_.low[221].push_back(-5.40423045e-05); + thermo_.low[221].push_back(2.19793508e-08); + thermo_.low[221].push_back(-3.64842760e-12); + thermo_.low[221].push_back(3.44878980e+04); + thermo_.low[221].push_back(4.61973136e+01); +} + +{ + thermo_.name[222] = "RMTBE"; + thermo_.high[222].push_back(1.09269229e+01); + thermo_.high[222].push_back(3.74766266e-02); + thermo_.high[222].push_back(-1.73062474e-05); + thermo_.high[222].push_back(3.86241414e-09); + thermo_.high[222].push_back(-3.39119741e-13); + thermo_.high[222].push_back(-1.88007827e+04); + thermo_.high[222].push_back(-2.53563680e+01); + thermo_.low[222].push_back(-1.81069448e-01); + thermo_.low[222].push_back(6.99087211e-02); + thermo_.low[222].push_back(-5.28158399e-05); + thermo_.low[222].push_back(2.11420212e-08); + thermo_.low[222].push_back(-3.49233271e-12); + thermo_.low[222].push_back(-1.57571928e+04); + thermo_.low[222].push_back(3.17301895e+01); +} + +{ + thermo_.name[223] = "MTBEOO"; + thermo_.high[223].push_back(1.64806404e+01); + thermo_.high[223].push_back(3.48147986e-02); + thermo_.high[223].push_back(-1.47688716e-05); + thermo_.high[223].push_back(3.00165535e-09); + thermo_.high[223].push_back(-2.41352124e-13); + thermo_.high[223].push_back(-3.59678540e+04); + thermo_.high[223].push_back(-5.02874924e+01); + thermo_.low[223].push_back(2.84930352e+00); + thermo_.low[223].push_back(6.78604638e-02); + thermo_.low[223].push_back(-4.48103854e-05); + thermo_.low[223].push_back(1.51396407e-08); + thermo_.low[223].push_back(-2.08044082e-12); + thermo_.low[223].push_back(-3.14695128e+04); + thermo_.low[223].push_back(2.23020650e+01); +} + +{ + thermo_.name[224] = "C10H7O"; + thermo_.high[224].push_back(2.60845785e+01); + thermo_.high[224].push_back(2.24488808e-02); + thermo_.high[224].push_back(-7.86244785e-06); + thermo_.high[224].push_back(1.25147148e-09); + thermo_.high[224].push_back(-7.55452008e-14); + thermo_.high[224].push_back(1.36168392e+03); + thermo_.high[224].push_back(-1.17834769e+02); + thermo_.low[224].push_back(-2.53985295e+00); + thermo_.low[224].push_back(8.60587284e-02); + thermo_.low[224].push_back(-6.08706542e-05); + thermo_.low[224].push_back(2.08841405e-08); + thermo_.low[224].push_back(-2.80230479e-12); + thermo_.low[224].push_back(1.16664792e+04); + thermo_.low[224].push_back(3.70866255e+01); +} + +{ + thermo_.name[225] = "NEOC5H11"; + thermo_.high[225].push_back(1.43276289e+01); + thermo_.high[225].push_back(2.66845577e-02); + thermo_.high[225].push_back(-1.02158264e-05); + thermo_.high[225].push_back(1.86929104e-09); + thermo_.high[225].push_back(-1.35803312e-13); + thermo_.high[225].push_back(-2.94216421e+03); + thermo_.high[225].push_back(-5.15145769e+01); + thermo_.low[225].push_back(-1.29689709e+00); + thermo_.low[225].push_back(6.41085720e-02); + thermo_.low[225].push_back(-4.38302105e-05); + thermo_.low[225].push_back(1.52882069e-08); + thermo_.low[225].push_back(-2.14462305e-12); + thermo_.low[225].push_back(2.27642747e+03); + thermo_.low[225].push_back(3.18773552e+01); +} + +{ + thermo_.name[226] = "NEOC5H11OO"; + thermo_.high[226].push_back(1.69989732e+01); + thermo_.high[226].push_back(3.01601499e-02); + thermo_.high[226].push_back(-1.19254896e-05); + thermo_.high[226].push_back(2.25822367e-09); + thermo_.high[226].push_back(-1.69878947e-13); + thermo_.high[226].push_back(-2.10464569e+04); + thermo_.high[226].push_back(-6.14617731e+01); + thermo_.low[226].push_back(1.07910948e+00); + thermo_.low[226].push_back(6.85212672e-02); + thermo_.low[226].push_back(-4.65891499e-05); + thermo_.low[226].push_back(1.61793724e-08); + thermo_.low[226].push_back(-2.26643749e-12); + thermo_.low[226].push_back(-1.57610621e+04); + thermo_.low[226].push_back(2.34108339e+01); +} + +{ + thermo_.name[227] = "C16H9"; + thermo_.high[227].push_back(1.61933977e+01); + thermo_.high[227].push_back(6.96117135e-02); + thermo_.high[227].push_back(-3.71054121e-05); + thermo_.high[227].push_back(9.43826014e-09); + thermo_.high[227].push_back(-9.32515880e-13); + thermo_.high[227].push_back(4.61008358e+04); + thermo_.high[227].push_back(-6.54256237e+01); + thermo_.low[227].push_back(-1.33382684e+01); + thermo_.low[227].push_back(1.64875153e-01); + thermo_.low[227].push_back(-1.52343443e-04); + thermo_.low[227].push_back(7.13941909e-08); + thermo_.low[227].push_back(-1.34236310e-11); + thermo_.low[227].push_back(5.34246890e+04); + thermo_.low[227].push_back(8.34001920e+01); +} + +{ + thermo_.name[228] = "C6H5C2H2"; + thermo_.high[228].push_back(1.77155600e+01); + thermo_.high[228].push_back(2.19043174e-02); + thermo_.high[228].push_back(-8.07391246e-06); + thermo_.high[228].push_back(1.39474201e-09); + thermo_.high[228].push_back(-9.41524347e-14); + thermo_.high[228].push_back(3.81394494e+04); + thermo_.high[228].push_back(-7.01114193e+01); + thermo_.low[228].push_back(-2.50848763e+00); + thermo_.low[228].push_back(6.97718858e-02); + thermo_.low[228].push_back(-5.05599199e-05); + thermo_.low[228].push_back(1.81545083e-08); + thermo_.low[228].push_back(-2.57340780e-12); + thermo_.low[228].push_back(4.49751775e+04); + thermo_.low[228].push_back(3.80700548e+01); +} + +{ + thermo_.name[229] = "RXYLENE"; + thermo_.high[229].push_back(9.50606195e+00); + thermo_.high[229].push_back(4.15939315e-02); + thermo_.high[229].push_back(-1.79471777e-05); + thermo_.high[229].push_back(3.41861978e-09); + thermo_.high[229].push_back(-2.36020443e-13); + thermo_.high[229].push_back(1.46969060e+04); + thermo_.high[229].push_back(-2.59567399e+01); + thermo_.low[229].push_back(-2.80920460e+00); + thermo_.low[229].push_back(7.72903563e-02); + thermo_.low[229].push_back(-5.67476394e-05); + thermo_.low[229].push_back(2.21628042e-08); + thermo_.low[229].push_back(-3.63170602e-12); + thermo_.low[229].push_back(1.80959195e+04); + thermo_.low[229].push_back(3.74238465e+01); +} + +{ + thermo_.name[230] = "C6H5C2H3"; + thermo_.high[230].push_back(1.57612121e+01); + thermo_.high[230].push_back(2.51344730e-02); + thermo_.high[230].push_back(-7.08348959e-06); + thermo_.high[230].push_back(3.12355848e-10); + thermo_.high[230].push_back(8.22985790e-14); + thermo_.high[230].push_back(1.01346894e+04); + thermo_.high[230].push_back(-5.95859946e+01); + thermo_.low[230].push_back(-4.61890423e+00); + thermo_.low[230].push_back(8.25432514e-02); + thermo_.low[230].push_back(-6.77265654e-05); + thermo_.low[230].push_back(2.87832834e-08); + thermo_.low[230].push_back(-4.93018867e-12); + thermo_.low[230].push_back(1.59226425e+04); + thermo_.low[230].push_back(4.58827137e+01); +} + +{ + thermo_.name[231] = "TAME"; + thermo_.high[231].push_back(1.13309761e+01); + thermo_.high[231].push_back(4.74280944e-02); + thermo_.high[231].push_back(-1.96957502e-05); + thermo_.high[231].push_back(3.66860750e-09); + thermo_.high[231].push_back(-2.50688228e-13); + thermo_.high[231].push_back(-4.42745214e+04); + thermo_.high[231].push_back(-3.17952394e+01); + thermo_.low[231].push_back(-2.12836721e+00); + thermo_.low[231].push_back(8.82139832e-02); + thermo_.low[231].push_back(-6.60433511e-05); + thermo_.low[231].push_back(2.70764868e-08); + thermo_.low[231].push_back(-4.68399869e-12); + thermo_.low[231].push_back(-4.07212548e+04); + thermo_.low[231].push_back(3.68750527e+01); +} + +{ + thermo_.name[232] = "TETRALIN"; + thermo_.high[232].push_back(2.40250678e+01); + thermo_.high[232].push_back(3.45031690e-02); + thermo_.high[232].push_back(-1.26565536e-05); + thermo_.high[232].push_back(2.20632462e-09); + thermo_.high[232].push_back(-1.51941206e-13); + thermo_.high[232].push_back(-9.85314330e+03); + thermo_.high[232].push_back(-1.11161769e+02); + thermo_.low[232].push_back(-1.00807336e+01); + thermo_.low[232].push_back(1.17183900e-01); + thermo_.low[232].push_back(-8.78208542e-05); + thermo_.low[232].push_back(3.25757390e-08); + thermo_.low[232].push_back(-4.75336763e-12); + thermo_.low[232].push_back(1.40177116e+03); + thermo_.low[232].push_back(7.04583499e+01); +} + +{ + thermo_.name[233] = "DECALIN"; + thermo_.high[233].push_back(2.70110296e+01); + thermo_.high[233].push_back(4.68748172e-02); + thermo_.high[233].push_back(-1.63895490e-05); + thermo_.high[233].push_back(2.62563687e-09); + thermo_.high[233].push_back(-1.59789734e-13); + thermo_.high[233].push_back(-3.79226289e+04); + thermo_.high[233].push_back(-1.35167747e+02); + thermo_.low[233].push_back(-1.45870783e+01); + thermo_.low[233].push_back(1.41956207e-01); + thermo_.low[233].push_back(-9.78878828e-05); + thermo_.low[233].push_back(3.36726212e-08); + thermo_.low[233].push_back(-4.59507321e-12); + thermo_.low[233].push_back(-2.33632912e+04); + thermo_.low[233].push_back(8.87980358e+01); +} + +{ + thermo_.name[234] = "RDECALIN"; + thermo_.high[234].push_back(2.85620333e+01); + thermo_.high[234].push_back(4.11366392e-02); + thermo_.high[234].push_back(-1.36024110e-05); + thermo_.high[234].push_back(2.01592783e-09); + thermo_.high[234].push_back(-1.09376626e-13); + thermo_.high[234].push_back(-1.53025063e+04); + thermo_.high[234].push_back(-1.39641687e+02); + thermo_.low[234].push_back(-1.39601308e+01); + thermo_.low[234].push_back(1.35630337e-01); + thermo_.low[234].push_back(-9.23471594e-05); + thermo_.low[234].push_back(3.11806495e-08); + thermo_.low[234].push_back(-4.16003241e-12); + thermo_.low[234].push_back(5.47278088e+00); + thermo_.low[234].push_back(9.04971362e+01); +} + +{ + thermo_.name[235] = "C7H8"; + thermo_.high[235].push_back(1.25818443e+01); + thermo_.high[235].push_back(2.64134519e-02); + thermo_.high[235].push_back(-7.93799879e-06); + thermo_.high[235].push_back(4.38368241e-10); + thermo_.high[235].push_back(8.64078959e-14); + thermo_.high[235].push_back(-5.64471283e+02); + thermo_.high[235].push_back(-4.45247833e+01); + thermo_.low[235].push_back(-6.02884975e+00); + thermo_.low[235].push_back(7.77532977e-02); + thermo_.low[235].push_back(-6.10481840e-05); + thermo_.low[235].push_back(2.48568442e-08); + thermo_.low[235].push_back(-4.12367417e-12); + thermo_.low[235].push_back(4.83263000e+03); + thermo_.low[235].push_back(5.21761133e+01); +} + +{ + thermo_.name[236] = "C2H3"; + thermo_.high[236].push_back(7.05094230e-01); + thermo_.high[236].push_back(1.53761148e-02); + thermo_.high[236].push_back(-8.91788178e-06); + thermo_.high[236].push_back(2.51340905e-09); + thermo_.high[236].push_back(-2.70561650e-13); + thermo_.high[236].push_back(3.36189510e+04); + thermo_.high[236].push_back(1.96531878e+01); + thermo_.low[236].push_back(2.74606708e+00); + thermo_.low[236].push_back(3.71341276e-03); + thermo_.low[236].push_back(1.60736225e-05); + thermo_.low[236].push_back(-2.12880236e-08); + thermo_.low[236].push_back(8.22995002e-12); + thermo_.low[236].push_back(3.33332148e+04); + thermo_.low[236].push_back(1.05346375e+01); +} + +{ + thermo_.name[237] = "XYLENE"; + thermo_.high[237].push_back(1.72256243e+01); + thermo_.high[237].push_back(2.83565600e-02); + thermo_.high[237].push_back(-6.90689954e-06); + thermo_.high[237].push_back(-3.57091403e-10); + thermo_.high[237].push_back(2.09419626e-13); + thermo_.high[237].push_back(-6.87239337e+03); + thermo_.high[237].push_back(-6.97341599e+01); + thermo_.low[237].push_back(-5.12303971e+00); + thermo_.low[237].push_back(8.28654966e-02); + thermo_.low[237].push_back(-5.67626342e-05); + thermo_.low[237].push_back(1.99094674e-08); + thermo_.low[237].push_back(-2.87999483e-12); + thermo_.low[237].push_back(4.57968429e+02); + thermo_.low[237].push_back(4.91410252e+01); +} + +{ + thermo_.name[238] = "NC10OOQOOH"; + thermo_.high[238].push_back(4.08087723e+01); + thermo_.high[238].push_back(4.96339543e-02); + thermo_.high[238].push_back(-1.81420129e-05); + thermo_.high[238].push_back(3.12006732e-09); + thermo_.high[238].push_back(-2.11175642e-13); + thermo_.high[238].push_back(-5.65432959e+04); + thermo_.high[238].push_back(-1.73811020e+02); + thermo_.low[238].push_back(2.62701325e+00); + thermo_.low[238].push_back(1.34482308e-01); + thermo_.low[238].push_back(-8.88489740e-05); + thermo_.low[238].push_back(2.93078307e-08); + thermo_.low[238].push_back(-3.84836500e-12); + thermo_.low[238].push_back(-4.27978627e+04); + thermo_.low[238].push_back(3.28366249e+01); +} + +{ + thermo_.name[239] = "NC12OOQOOH"; + thermo_.high[239].push_back(4.68889668e+01); + thermo_.high[239].push_back(5.84439691e-02); + thermo_.high[239].push_back(-2.09491580e-05); + thermo_.high[239].push_back(3.49897609e-09); + thermo_.high[239].push_back(-2.27324946e-13); + thermo_.high[239].push_back(-6.45487872e+04); + thermo_.high[239].push_back(-2.03262107e+02); + thermo_.low[239].push_back(2.75932352e+00); + thermo_.low[239].push_back(1.56509843e-01); + thermo_.low[239].push_back(-1.02670720e-04); + thermo_.low[239].push_back(3.37662211e-08); + thermo_.low[239].push_back(-4.43110898e-12); + thermo_.low[239].push_back(-4.86621157e+04); + thermo_.low[239].push_back(3.55767286e+01); +} + +{ + thermo_.name[240] = "NC4OOQOOH"; + thermo_.high[240].push_back(1.51474113e+01); + thermo_.high[240].push_back(3.37812811e-02); + thermo_.high[240].push_back(-1.58996825e-05); + thermo_.high[240].push_back(3.57608795e-09); + thermo_.high[240].push_back(-3.14486517e-13); + thermo_.high[240].push_back(-2.85698876e+04); + thermo_.high[240].push_back(-4.24732203e+01); + thermo_.low[240].push_back(1.10123476e+00); + thermo_.low[240].push_back(7.94599040e-02); + thermo_.low[240].push_back(-7.16053202e-05); + thermo_.low[240].push_back(3.37688455e-08); + thermo_.low[240].push_back(-6.45122586e-12); + thermo_.low[240].push_back(-2.51145282e+04); + thermo_.low[240].push_back(2.81992197e+01); +} + +{ + thermo_.name[241] = "NC5OOQOOH"; + thermo_.high[241].push_back(1.54638476e+01); + thermo_.high[241].push_back(4.30531975e-02); + thermo_.high[241].push_back(-2.04284728e-05); + thermo_.high[241].push_back(4.63174721e-09); + thermo_.high[241].push_back(-4.10271992e-13); + thermo_.high[241].push_back(-3.17413365e+04); + thermo_.high[241].push_back(-4.31406917e+01); + thermo_.low[241].push_back(1.43265566e+00); + thermo_.low[241].push_back(8.72459280e-02); + thermo_.low[241].push_back(-7.26246113e-05); + thermo_.low[241].push_back(3.20312950e-08); + thermo_.low[241].push_back(-5.80388375e-12); + thermo_.low[241].push_back(-2.81774138e+04); + thermo_.low[241].push_back(2.79053907e+01); +} + +{ + thermo_.name[242] = "NC7OOQOOH"; + thermo_.high[242].push_back(2.24694069e+01); + thermo_.high[242].push_back(4.29307086e-02); + thermo_.high[242].push_back(-1.68910162e-05); + thermo_.high[242].push_back(3.18431082e-09); + thermo_.high[242].push_back(-2.38592446e-13); + thermo_.high[242].push_back(-4.58962940e+04); + thermo_.high[242].push_back(-7.93472401e+01); + thermo_.low[242].push_back(2.87430503e+00); + thermo_.low[242].push_back(8.93096479e-02); + thermo_.low[242].push_back(-5.80557552e-05); + thermo_.low[242].push_back(1.94228666e-08); + thermo_.low[242].push_back(-2.64074567e-12); + thermo_.low[242].push_back(-3.92731495e+04); + thermo_.low[242].push_back(2.54699082e+01); +} + +{ + thermo_.name[243] = "DMEOOQOOH"; + thermo_.high[243].push_back(9.57989146e+00); + thermo_.high[243].push_back(2.53360331e-02); + thermo_.high[243].push_back(-1.13706887e-05); + thermo_.high[243].push_back(2.45690684e-09); + thermo_.high[243].push_back(-2.09295699e-13); + thermo_.high[243].push_back(-3.48199648e+04); + thermo_.high[243].push_back(-1.16031904e+01); + thermo_.low[243].push_back(7.85487749e+00); + thermo_.low[243].push_back(2.91693975e-02); + thermo_.low[243].push_back(-1.45651591e-05); + thermo_.low[243].push_back(3.64004400e-09); + thermo_.low[243].push_back(-3.73620304e-13); + thermo_.low[243].push_back(-3.41989598e+04); + thermo_.low[243].push_back(-2.26705495e+00); +} + +{ + thermo_.name[244] = "IC16OOQOOH"; + thermo_.high[244].push_back(4.21122112e+01); + thermo_.high[244].push_back(1.11834123e-01); + thermo_.high[244].push_back(-5.11978482e-05); + thermo_.high[244].push_back(1.12541459e-08); + thermo_.high[244].push_back(-9.72533984e-13); + thermo_.high[244].push_back(-7.89343498e+04); + thermo_.high[244].push_back(-1.80495570e+02); + thermo_.low[244].push_back(-6.54289827e+00); + thermo_.low[244].push_back(2.48890769e-01); + thermo_.low[244].push_back(-1.95975996e-04); + thermo_.low[244].push_back(7.92251073e-08); + thermo_.low[244].push_back(-1.29392525e-11); + thermo_.low[244].push_back(-6.51162987e+04); + thermo_.low[244].push_back(7.12984570e+01); +} + +{ + thermo_.name[245] = "IC16TOOQOOH"; + thermo_.high[245].push_back(4.07769110e+01); + thermo_.high[245].push_back(1.15135971e-01); + thermo_.high[245].push_back(-5.36319133e-05); + thermo_.high[245].push_back(1.19826916e-08); + thermo_.high[245].push_back(-1.04989886e-12); + thermo_.high[245].push_back(-8.16821240e+04); + thermo_.high[245].push_back(-1.74509322e+02); + thermo_.low[245].push_back(-7.08781179e+00); + thermo_.low[245].push_back(2.54886986e-01); + thermo_.low[245].push_back(-2.06643974e-04); + thermo_.low[245].push_back(8.64411154e-08); + thermo_.low[245].push_back(-1.46372025e-11); + thermo_.low[245].push_back(-6.85671899e+04); + thermo_.low[245].push_back(7.14786263e+01); +} + +{ + thermo_.name[246] = "IC8OOQOOH"; + thermo_.high[246].push_back(3.48314225e+01); + thermo_.high[246].push_back(3.98146097e-02); + thermo_.high[246].push_back(-1.43978345e-05); + thermo_.high[246].push_back(2.42273589e-09); + thermo_.high[246].push_back(-1.57988116e-13); + thermo_.high[246].push_back(-5.01227380e+04); + thermo_.high[246].push_back(-1.45334518e+02); + thermo_.low[246].push_back(1.76391327e+00); + thermo_.low[246].push_back(1.17165508e-01); + thermo_.low[246].push_back(-8.22495000e-05); + thermo_.low[246].push_back(2.88756269e-08); + thermo_.low[246].push_back(-4.02536985e-12); + thermo_.low[246].push_back(-3.88136498e+04); + thermo_.low[246].push_back(3.19375985e+01); +} + +{ + thermo_.name[247] = "IC4POOQOOH"; + thermo_.high[247].push_back(1.30518446e+01); + thermo_.high[247].push_back(3.65484801e-02); + thermo_.high[247].push_back(-1.74274782e-05); + thermo_.high[247].push_back(3.96741952e-09); + thermo_.high[247].push_back(-3.52552034e-13); + thermo_.high[247].push_back(-2.47096139e+04); + thermo_.high[247].push_back(-3.04334702e+01); + thermo_.low[247].push_back(1.64511788e+00); + thermo_.low[247].push_back(7.19181753e-02); + thermo_.low[247].push_back(-5.85550308e-05); + thermo_.low[247].push_back(2.52219686e-08); + thermo_.low[247].push_back(-4.47165070e-12); + thermo_.low[247].push_back(-2.17666784e+04); + thermo_.low[247].push_back(2.75020267e+01); +} + +{ + thermo_.name[248] = "IC4TOOQOOH"; + thermo_.high[248].push_back(1.39939782e+01); + thermo_.high[248].push_back(3.54845222e-02); + thermo_.high[248].push_back(-1.68915059e-05); + thermo_.high[248].push_back(3.83671077e-09); + thermo_.high[248].push_back(-3.40131614e-13); + thermo_.high[248].push_back(-2.83614519e+04); + thermo_.high[248].push_back(-3.70531088e+01); + thermo_.low[248].push_back(1.55094393e+00); + thermo_.low[248].push_back(7.56233424e-02); + thermo_.low[248].push_back(-6.54465303e-05); + thermo_.low[248].push_back(2.99415626e-08); + thermo_.low[248].push_back(-5.60320657e-12); + thermo_.low[248].push_back(-2.52755794e+04); + thermo_.low[248].push_back(2.56539769e+01); +} + +{ + thermo_.name[249] = "MCYC6OOQOOH"; + thermo_.high[249].push_back(3.14587613e+01); + thermo_.high[249].push_back(3.12961497e-02); + thermo_.high[249].push_back(-1.06604211e-05); + thermo_.high[249].push_back(1.62769455e-09); + thermo_.high[249].push_back(-9.15073605e-14); + thermo_.high[249].push_back(-4.08526671e+04); + thermo_.high[249].push_back(-1.40718316e+02); + thermo_.low[249].push_back(-4.29317081e+00); + thermo_.low[249].push_back(1.12091476e-01); + thermo_.low[249].push_back(-7.91310369e-05); + thermo_.low[249].push_back(2.74170037e-08); + thermo_.low[249].push_back(-3.73406515e-12); + thermo_.low[249].push_back(-2.81964832e+04); + thermo_.low[249].push_back(5.21777121e+01); +} + +{ + thermo_.name[250] = "MTBEOOQOOH"; + thermo_.high[250].push_back(1.70053287e+01); + thermo_.high[250].push_back(4.31260455e-02); + thermo_.high[250].push_back(-1.99573148e-05); + thermo_.high[250].push_back(4.44658587e-09); + thermo_.high[250].push_back(-3.89314847e-13); + thermo_.high[250].push_back(-4.64302952e+04); + thermo_.high[250].push_back(-4.61328184e+01); + thermo_.low[250].push_back(4.65469152e+00); + thermo_.low[250].push_back(7.94514489e-02); + thermo_.low[250].push_back(-6.00220979e-05); + thermo_.low[250].push_back(2.40861854e-08); + thermo_.low[250].push_back(-3.99953536e-12); + thermo_.low[250].push_back(-4.30709219e+04); + thermo_.low[250].push_back(1.72494984e+01); +} + +{ + thermo_.name[251] = "NEOC5OOQOOH"; + thermo_.high[251].push_back(2.53088279e+01); + thermo_.high[251].push_back(2.46008468e-02); + thermo_.high[251].push_back(-8.38584870e-06); + thermo_.high[251].push_back(1.28446216e-09); + thermo_.high[251].push_back(-7.25492020e-14); + thermo_.high[251].push_back(-3.52662111e+04); + thermo_.high[251].push_back(-9.88693150e+01); + thermo_.low[251].push_back(2.93992987e+00); + thermo_.low[251].push_back(7.43095092e-02); + thermo_.low[251].push_back(-4.98097340e-05); + thermo_.low[251].push_back(1.66266419e-08); + thermo_.low[251].push_back(-2.20340750e-12); + thermo_.low[251].push_back(-2.72134078e+04); + thermo_.low[251].push_back(2.21958278e+01); +} + +{ + thermo_.name[252] = "MCYC6TOOQOOH"; + thermo_.high[252].push_back(3.14587613e+01); + thermo_.high[252].push_back(3.12961497e-02); + thermo_.high[252].push_back(-1.06604211e-05); + thermo_.high[252].push_back(1.62769455e-09); + thermo_.high[252].push_back(-9.15073605e-14); + thermo_.high[252].push_back(-4.08526671e+04); + thermo_.high[252].push_back(-1.40718316e+02); + thermo_.low[252].push_back(-4.29317081e+00); + thermo_.low[252].push_back(1.12091476e-01); + thermo_.low[252].push_back(-7.91310369e-05); + thermo_.low[252].push_back(2.74170037e-08); + thermo_.low[252].push_back(-3.73406515e-12); + thermo_.low[252].push_back(-2.81964832e+04); + thermo_.low[252].push_back(5.21777121e+01); +} + +{ + thermo_.name[253] = "NC16H34"; + thermo_.high[253].push_back(4.98210237e+01); + thermo_.high[253].push_back(7.73881688e-02); + thermo_.high[253].push_back(-2.77557896e-05); + thermo_.high[253].push_back(4.69678103e-09); + thermo_.high[253].push_back(-3.12959243e-13); + thermo_.high[253].push_back(-7.08514664e+04); + thermo_.high[253].push_back(-2.24842855e+02); + thermo_.low[253].push_back(-3.64057977e+00); + thermo_.low[253].push_back(1.96191732e-01); + thermo_.low[253].push_back(-1.26758759e-04); + thermo_.low[253].push_back(4.13645475e-08); + thermo_.low[253].push_back(-5.40570458e-12); + thermo_.low[253].push_back(-5.16052891e+04); + thermo_.low[253].push_back(6.45024955e+01); +} + +{ + thermo_.name[254] = "NC16H33"; + thermo_.high[254].push_back(4.66278372e+01); + thermo_.high[254].push_back(8.00212238e-02); + thermo_.high[254].push_back(-3.03236333e-05); + thermo_.high[254].push_back(5.55903616e-09); + thermo_.high[254].push_back(-4.09822553e-13); + thermo_.high[254].push_back(-4.61545210e+04); + thermo_.high[254].push_back(-2.04019481e+02); + thermo_.low[254].push_back(-3.22413374e+00); + thermo_.low[254].push_back(1.90803381e-01); + thermo_.low[254].push_back(-1.22642098e-04); + thermo_.low[254].push_back(3.97510601e-08); + thermo_.low[254].push_back(-5.15871477e-12); + thermo_.low[254].push_back(-2.82078115e+04); + thermo_.low[254].push_back(6.57897858e+01); +} + +{ + thermo_.name[255] = "NC16H33OO"; + thermo_.high[255].push_back(5.00344484e+01); + thermo_.high[255].push_back(8.20070153e-02); + thermo_.high[255].push_back(-3.03042993e-05); + thermo_.high[255].push_back(5.28016700e-09); + thermo_.high[255].push_back(-3.62022840e-13); + thermo_.high[255].push_back(-6.47045872e+04); + thermo_.high[255].push_back(-2.18137205e+02); + thermo_.low[255].push_back(8.65096715e-01); + thermo_.low[255].push_back(1.91272241e-01); + thermo_.low[255].push_back(-1.21358654e-04); + thermo_.low[255].push_back(3.90040022e-08); + thermo_.low[255].push_back(-5.04588884e-12); + thermo_.low[255].push_back(-4.70036206e+04); + thermo_.low[255].push_back(4.79775838e+01); +} + +{ + thermo_.name[256] = "NC16QOOH"; + thermo_.high[256].push_back(5.49634696e+01); + thermo_.high[256].push_back(7.74662171e-02); + thermo_.high[256].push_back(-2.71265902e-05); + thermo_.high[256].push_back(4.36953904e-09); + thermo_.high[256].push_back(-2.68719606e-13); + thermo_.high[256].push_back(-8.49949222e+04); + thermo_.high[256].push_back(-2.46825964e+02); + thermo_.low[256].push_back(8.02842616e-02); + thermo_.low[256].push_back(1.99428851e-01); + thermo_.low[256].push_back(-1.28762119e-04); + thermo_.low[256].push_back(4.20123273e-08); + thermo_.low[256].push_back(-5.49688464e-12); + thermo_.low[256].push_back(-6.52369755e+04); + thermo_.low[256].push_back(5.02132837e+01); +} + +{ + thermo_.name[257] = "NC16OOQOOH"; + thermo_.high[257].push_back(5.83925916e+01); + thermo_.high[257].push_back(7.87490301e-02); + thermo_.high[257].push_back(-2.86987240e-05); + thermo_.high[257].push_back(4.90944000e-09); + thermo_.high[257].push_back(-3.29403315e-13); + thermo_.high[257].push_back(-8.05061539e+04); + thermo_.high[257].push_back(-2.59209019e+02); + thermo_.low[257].push_back(2.14519035e+00); + thermo_.low[257].push_back(2.03743255e-01); + thermo_.low[257].push_back(-1.32860578e-04); + thermo_.low[257].push_back(4.34879045e-08); + thermo_.low[257].push_back(-5.68752339e-12); + thermo_.low[257].push_back(-6.02570894e+04); + thermo_.low[257].push_back(4.52136503e+01); +} + +{ + thermo_.name[258] = "NC16OQOOH"; + thermo_.high[258].push_back(4.88441297e+01); + thermo_.high[258].push_back(8.47833151e-02); + thermo_.high[258].push_back(-3.17577492e-05); + thermo_.high[258].push_back(5.56702742e-09); + thermo_.high[258].push_back(-3.82331487e-13); + thermo_.high[258].push_back(-9.50808904e+04); + thermo_.high[258].push_back(-2.07202631e+02); + thermo_.low[258].push_back(1.75040694e+00); + thermo_.low[258].push_back(1.96247748e-01); + thermo_.low[258].push_back(-1.30690678e-04); + thermo_.low[258].push_back(4.45938236e-08); + thermo_.low[258].push_back(-6.15552619e-12); + thermo_.low[258].push_back(-7.91632121e+04); + thermo_.low[258].push_back(4.47087787e+01); +} + +{ + thermo_.name[259] = "CN"; + thermo_.high[259].push_back(2.73859606e+00); + thermo_.high[259].push_back(2.23580966e-03); + thermo_.high[259].push_back(-1.33797023e-06); + thermo_.high[259].push_back(4.34996429e-10); + thermo_.high[259].push_back(-5.05222621e-14); + thermo_.high[259].push_back(5.14568835e+04); + thermo_.high[259].push_back(8.20480076e+00); + thermo_.low[259].push_back(4.08532688e+00); + thermo_.low[259].push_back(-4.41471288e-03); + thermo_.low[259].push_back(1.09778123e-05); + thermo_.low[259].push_back(-9.70145006e-09); + thermo_.low[259].push_back(3.07801060e-12); + thermo_.low[259].push_back(5.12387131e+04); + thermo_.low[259].push_back(1.99138758e+00); +} + +{ + thermo_.name[260] = "H2CN"; + thermo_.high[260].push_back(5.22111320e+00); + thermo_.high[260].push_back(3.42647499e-03); + thermo_.high[260].push_back(-8.36137799e-07); + thermo_.high[260].push_back(4.74833030e-11); + thermo_.high[260].push_back(4.28153350e-15); + thermo_.high[260].push_back(2.75312364e+04); + thermo_.high[260].push_back(-4.80262216e+00); + thermo_.low[260].push_back(1.81354567e+00); + thermo_.low[260].push_back(1.09988473e-02); + thermo_.low[260].push_back(-7.14644805e-06); + thermo_.low[260].push_back(2.38463525e-09); + thermo_.low[260].push_back(-3.20322903e-13); + thermo_.low[260].push_back(2.87579607e+04); + thermo_.low[260].push_back(1.36398442e+01); +} + +{ + thermo_.name[261] = "H2NO"; + thermo_.high[261].push_back(1.43405821e+00); + thermo_.high[261].push_back(9.01333883e-03); + thermo_.high[261].push_back(-3.38828321e-06); + thermo_.high[261].push_back(4.28655869e-10); + thermo_.high[261].push_back(-2.36936075e-15); + thermo_.high[261].push_back(7.27341661e+03); + thermo_.high[261].push_back(1.79341864e+01); + thermo_.low[261].push_back(2.78935895e+00); + thermo_.low[261].push_back(4.49566971e-03); + thermo_.low[261].push_back(2.25880318e-06); + thermo_.low[261].push_back(-2.70861435e-09); + thermo_.low[261].push_back(6.51228601e-13); + thermo_.low[261].push_back(6.94814443e+03); + thermo_.low[261].push_back(1.11485432e+01); +} + +{ + thermo_.name[262] = "HCN"; + thermo_.high[262].push_back(3.48152100e+00); + thermo_.high[262].push_back(3.81748410e-03); + thermo_.high[262].push_back(-1.53642929e-06); + thermo_.high[262].push_back(3.02291150e-10); + thermo_.high[262].push_back(-2.35861473e-14); + thermo_.high[262].push_back(1.50427831e+04); + thermo_.high[262].push_back(3.30702298e+00); + thermo_.low[262].push_back(2.53139665e+00); + thermo_.low[262].push_back(8.28865751e-03); + thermo_.low[262].push_back(-9.42673531e-06); + thermo_.low[262].push_back(6.49076646e-09); + thermo_.low[262].push_back(-1.84372594e-12); + thermo_.low[262].push_back(1.52043042e+04); + thermo_.low[262].push_back(7.73641055e+00); +} + +{ + thermo_.name[263] = "HCNO"; + thermo_.high[263].push_back(7.12423974e+00); + thermo_.high[263].push_back(1.61853378e-03); + thermo_.high[263].push_back(2.31339437e-07); + thermo_.high[263].push_back(-2.53211924e-10); + thermo_.high[263].push_back(3.63453797e-14); + thermo_.high[263].push_back(1.67567928e+04); + thermo_.high[263].push_back(-1.48886865e+01); + thermo_.low[263].push_back(2.20954024e+00); + thermo_.low[263].push_back(1.61806064e-02); + thermo_.low[263].push_back(-1.59487412e-05); + thermo_.low[263].push_back(7.73695136e-09); + thermo_.low[263].push_back(-1.44331449e-12); + thermo_.low[263].push_back(1.80837616e+04); + thermo_.low[263].push_back(1.02968215e+01); +} + +{ + thermo_.name[264] = "HOCN"; + thermo_.high[264].push_back(6.92286755e+00); + thermo_.high[264].push_back(1.77083687e-04); + thermo_.high[264].push_back(1.06417841e-06); + thermo_.high[264].push_back(-4.55819441e-10); + thermo_.high[264].push_back(5.43563991e-14); + thermo_.high[264].push_back(-3.77375638e+03); + thermo_.high[264].push_back(-1.08544042e+01); + thermo_.low[264].push_back(3.05788784e+00); + thermo_.low[264].push_back(8.96112848e-03); + thermo_.low[264].push_back(-6.42222341e-06); + thermo_.low[264].push_back(2.37993882e-09); + thermo_.low[264].push_back(-3.48450172e-13); + thermo_.low[264].push_back(-2.41328352e+03); + thermo_.low[264].push_back(9.97681509e+00); +} + +{ + thermo_.name[265] = "HNCO"; + thermo_.high[265].push_back(7.29502452e+00); + thermo_.high[265].push_back(4.88032844e-04); + thermo_.high[265].push_back(8.74568316e-07); + thermo_.high[265].push_back(-4.09105701e-10); + thermo_.high[265].push_back(5.01959355e-14); + thermo_.high[265].push_back(-1.52722297e+04); + thermo_.high[265].push_back(-1.41696888e+01); + thermo_.low[265].push_back(2.99127956e+00); + thermo_.low[265].push_back(1.08585026e-02); + thermo_.low[265].push_back(-8.49633812e-06); + thermo_.low[265].push_back(3.35431054e-09); + thermo_.low[265].push_back(-5.16583618e-13); + thermo_.low[265].push_back(-1.38433864e+04); + thermo_.low[265].push_back(8.77460657e+00); +} + +{ + thermo_.name[266] = "HNNO"; + thermo_.high[266].push_back(4.88500308e+00); + thermo_.high[266].push_back(5.60936901e-03); + thermo_.high[266].push_back(-2.60717829e-06); + thermo_.high[266].push_back(5.93839036e-10); + thermo_.high[266].push_back(-5.41495114e-14); + thermo_.high[266].push_back(2.58926738e+04); + thermo_.high[266].push_back(6.01980007e-01); + thermo_.low[266].push_back(2.29344827e+00); + thermo_.low[266].push_back(1.32315890e-02); + thermo_.low[266].push_back(-1.10140386e-05); + thermo_.low[266].push_back(4.71484900e-09); + thermo_.low[266].push_back(-8.11688108e-13); + thermo_.low[266].push_back(2.65975767e+04); + thermo_.low[266].push_back(1.39015974e+01); +} + +{ + thermo_.name[267] = "HNO"; + thermo_.high[267].push_back(2.72673666e+00); + thermo_.high[267].push_back(5.06770488e-03); + thermo_.high[267].push_back(-2.61122761e-06); + thermo_.high[267].push_back(6.38493559e-10); + thermo_.high[267].push_back(-6.01581004e-14); + thermo_.high[267].push_back(1.09769405e+04); + thermo_.high[267].push_back(9.63912842e+00); + thermo_.low[267].push_back(3.40204752e+00); + thermo_.low[267].push_back(2.06632330e-03); + thermo_.low[267].push_back(2.39107502e-06); + thermo_.low[267].push_back(-3.06691580e-09); + thermo_.low[267].push_back(9.69122277e-13); + thermo_.low[267].push_back(1.08553846e+04); + thermo_.low[267].push_back(6.45229501e+00); +} + +{ + thermo_.name[268] = "N"; + thermo_.high[268].push_back(2.43583682e+00); + thermo_.high[268].push_back(1.27743369e-04); + thermo_.high[268].push_back(-8.58132365e-08); + thermo_.high[268].push_back(2.13268140e-11); + thermo_.high[268].push_back(-1.23433516e-15); + thermo_.high[268].push_back(5.61236145e+04); + thermo_.high[268].push_back(4.53259076e+00); + thermo_.low[268].push_back(2.50515554e+00); + thermo_.low[268].push_back(-2.62982346e-05); + thermo_.low[268].push_back(4.25547663e-08); + thermo_.low[268].push_back(-2.62168907e-11); + thermo_.low[268].push_back(5.36895716e-15); + thermo_.low[268].push_back(5.60986597e+04); + thermo_.low[268].push_back(4.15742338e+00); +} + +{ + thermo_.name[269] = "N2H2"; + thermo_.high[269].push_back(1.94872574e+00); + thermo_.high[269].push_back(9.02206572e-03); + thermo_.high[269].push_back(-4.48167913e-06); + thermo_.high[269].push_back(1.07159624e-09); + thermo_.high[269].push_back(-9.96387287e-14); + thermo_.high[269].push_back(2.46850174e+04); + thermo_.high[269].push_back(1.27074554e+01); + thermo_.low[269].push_back(2.44745784e+00); + thermo_.low[269].push_back(6.87698140e-03); + thermo_.low[269].push_back(-1.02186571e-06); + thermo_.low[269].push_back(-1.40855675e-09); + thermo_.low[269].push_back(5.67069064e-13); + thermo_.low[269].push_back(2.45922533e+04); + thermo_.low[269].push_back(1.03375547e+01); +} + +{ + thermo_.name[270] = "N2H3"; + thermo_.high[270].push_back(5.06961797e+00); + thermo_.high[270].push_back(6.18061831e-03); + thermo_.high[270].push_back(-1.87909018e-06); + thermo_.high[270].push_back(2.33273638e-10); + thermo_.high[270].push_back(-8.03110073e-15); + thermo_.high[270].push_back(1.63477734e+04); + thermo_.high[270].push_back(-4.00218491e+00); + thermo_.low[270].push_back(1.71415249e+00); + thermo_.low[270].push_back(1.45171785e-02); + thermo_.low[270].push_back(-9.64607174e-06); + thermo_.low[270].push_back(3.44941507e-09); + thermo_.low[270].push_back(-5.07431944e-13); + thermo_.low[270].push_back(1.74282333e+04); + thermo_.low[270].push_back(1.37839838e+01); +} + +{ + thermo_.name[271] = "N2H4"; + thermo_.high[271].push_back(4.91914378e+00); + thermo_.high[271].push_back(9.71187969e-03); + thermo_.high[271].push_back(-3.62925367e-06); + thermo_.high[271].push_back(6.36530934e-10); + thermo_.high[271].push_back(-4.28508947e-14); + thermo_.high[271].push_back(9.36304606e+03); + thermo_.high[271].push_back(-2.64395648e+00); + thermo_.low[271].push_back(3.60425651e-01); + thermo_.low[271].push_back(2.54315974e-02); + thermo_.low[271].push_back(-2.39564748e-05); + thermo_.low[271].push_back(1.23188419e-08); + thermo_.low[271].push_back(-2.56059034e-12); + thermo_.low[271].push_back(1.04206687e+04); + thermo_.low[271].push_back(2.00258283e+01); +} + +{ + thermo_.name[272] = "N2O"; + thermo_.high[272].push_back(5.52129143e+00); + thermo_.high[272].push_back(1.46645965e-03); + thermo_.high[272].push_back(-3.04694075e-07); + thermo_.high[272].push_back(-1.87106858e-11); + thermo_.high[272].push_back(8.50389041e-15); + thermo_.high[272].push_back(7.81312268e+03); + thermo_.high[272].push_back(-6.17451657e+00); + thermo_.low[272].push_back(2.68521969e+00); + thermo_.low[272].push_back(8.34178508e-03); + thermo_.low[272].push_back(-6.55498992e-06); + thermo_.low[272].push_back(2.50666137e-09); + thermo_.low[272].push_back(-3.74128239e-13); + thermo_.low[272].push_back(8.74902635e+03); + thermo_.low[272].push_back(8.92812480e+00); +} + +{ + thermo_.name[273] = "NCO"; + thermo_.high[273].push_back(5.80612871e+00); + thermo_.high[273].push_back(1.29457396e-03); + thermo_.high[273].push_back(-2.96387145e-07); + thermo_.high[273].push_back(-4.45669057e-12); + thermo_.high[273].push_back(6.00806513e-15); + thermo_.high[273].push_back(1.70053704e+04); + thermo_.high[273].push_back(-6.33800183e+00); + thermo_.low[273].push_back(2.87969597e+00); + thermo_.low[273].push_back(8.18029805e-03); + thermo_.low[273].push_back(-6.37202605e-06); + thermo_.low[273].push_back(2.37814680e-09); + thermo_.low[273].push_back(-3.44374801e-13); + thermo_.low[273].push_back(1.80003575e+04); + thermo_.low[273].push_back(9.33319238e+00); +} + +{ + thermo_.name[274] = "NH"; + thermo_.high[274].push_back(2.53691464e+00); + thermo_.high[274].push_back(1.74532708e-03); + thermo_.high[274].push_back(-6.66818142e-07); + thermo_.high[274].push_back(1.34160653e-10); + thermo_.high[274].push_back(-1.04190033e-14); + thermo_.high[274].push_back(4.21821879e+04); + thermo_.high[274].push_back(7.12732805e+00); + thermo_.low[274].push_back(3.75007687e+00); + thermo_.low[274].push_back(-1.38541418e-03); + thermo_.low[274].push_back(2.36293147e-06); + thermo_.low[274].push_back(-1.16895746e-09); + thermo_.low[274].push_back(1.99761337e-13); + thermo_.low[274].push_back(4.18061076e+04); + thermo_.low[274].push_back(7.42847188e-01); +} + +{ + thermo_.name[275] = "NH2"; + thermo_.high[275].push_back(2.67687765e+00); + thermo_.high[275].push_back(3.48484078e-03); + thermo_.high[275].push_back(-1.28570820e-06); + thermo_.high[275].push_back(2.72091630e-10); + thermo_.high[275].push_back(-2.36034281e-14); + thermo_.high[275].push_back(2.20303372e+04); + thermo_.high[275].push_back(7.34730162e+00); + thermo_.low[275].push_back(4.18313061e+00); + thermo_.low[275].push_back(-1.89463407e-03); + thermo_.low[275].push_back(5.91894562e-06); + thermo_.low[275].push_back(-4.01639279e-09); + thermo_.low[275].push_back(9.33647558e-13); + thermo_.low[275].push_back(2.16929365e+04); + thermo_.low[275].push_back(-9.01998745e-02); +} + +{ + thermo_.name[276] = "NH3"; + thermo_.high[276].push_back(2.21117984e+00); + thermo_.high[276].push_back(6.52182453e-03); + thermo_.high[276].push_back(-2.30931532e-06); + thermo_.high[276].push_back(3.98907128e-10); + thermo_.high[276].push_back(-2.80385645e-14); + thermo_.high[276].push_back(-6.39009604e+03); + thermo_.high[276].push_back(8.86905603e+00); + thermo_.low[276].push_back(3.21689186e+00); + thermo_.low[276].push_back(3.19715670e-03); + thermo_.low[276].push_back(1.81217371e-06); + thermo_.low[276].push_back(-1.87188573e-09); + thermo_.low[276].push_back(4.41133513e-13); + thermo_.low[276].push_back(-6.63347835e+03); + thermo_.low[276].push_back(3.82536772e+00); +} + +{ + thermo_.name[277] = "NNH"; + thermo_.high[277].push_back(2.67540125e+00); + thermo_.high[277].push_back(5.35668680e-03); + thermo_.high[277].push_back(-2.94990450e-06); + thermo_.high[277].push_back(7.78541240e-10); + thermo_.high[277].push_back(-7.91413867e-14); + thermo_.high[277].push_back(2.84746064e+04); + thermo_.high[277].push_back(1.03028707e+01); + thermo_.low[277].push_back(3.96823590e+00); + thermo_.low[277].push_back(-1.82572793e-03); + thermo_.low[277].push_back(1.20134595e-05); + thermo_.low[277].push_back(-1.30764254e-08); + thermo_.low[277].push_back(4.73161093e-12); + thermo_.low[277].push_back(2.82884383e+04); + thermo_.low[277].push_back(4.49039228e+00); +} + +{ + thermo_.name[278] = "NO"; + thermo_.high[278].push_back(2.69775018e+00); + thermo_.high[278].push_back(2.39887133e-03); + thermo_.high[278].push_back(-1.31644700e-06); + thermo_.high[278].push_back(3.38235813e-10); + thermo_.high[278].push_back(-3.29394890e-14); + thermo_.high[278].push_back(9.99854348e+03); + thermo_.high[278].push_back(9.40230813e+00); + thermo_.low[278].push_back(3.91290193e+00); + thermo_.low[278].push_back(-2.61206371e-03); + thermo_.low[278].push_back(6.43242163e-06); + thermo_.low[278].push_back(-4.98744709e-09); + thermo_.low[278].push_back(1.33965920e-12); + thermo_.low[278].push_back(9.76280404e+03); + thermo_.low[278].push_back(3.57691592e+00); +} + +{ + thermo_.name[279] = "NO2"; + thermo_.high[279].push_back(5.25673685e+00); + thermo_.high[279].push_back(1.64343307e-03); + thermo_.high[279].push_back(-6.24197948e-07); + thermo_.high[279].push_back(1.07065150e-10); + thermo_.high[279].push_back(-6.88584753e-15); + thermo_.high[279].push_back(1.95363563e+03); + thermo_.high[279].push_back(-2.35827568e+00); + thermo_.low[279].push_back(2.61409592e+00); + thermo_.low[279].push_back(7.51596848e-03); + thermo_.low[279].push_back(-5.51797745e-06); + thermo_.low[279].push_back(1.91957608e-09); + thermo_.low[279].push_back(-2.58623476e-13); + thermo_.low[279].push_back(2.90498637e+03); + thermo_.low[279].push_back(1.19442483e+01); +} + +{ + thermo_.name[280] = "HONO"; + thermo_.high[280].push_back(5.88742112e+00); + thermo_.high[280].push_back(3.49329101e-03); + thermo_.high[280].push_back(-1.17730803e-06); + thermo_.high[280].push_back(1.65569378e-10); + thermo_.high[280].push_back(-6.87715202e-15); + thermo_.high[280].push_back(-1.14386309e+04); + thermo_.high[280].push_back(-5.23866548e+00); + thermo_.low[280].push_back(2.37883184e+00); + thermo_.low[280].push_back(1.33766411e-02); + thermo_.low[280].push_back(-1.16174666e-05); + thermo_.low[280].push_back(5.06705227e-09); + thermo_.low[280].push_back(-8.69814280e-13); + thermo_.low[280].push_back(-1.04421916e+04); + thermo_.low[280].push_back(1.29185606e+01); +} + +{ + thermo_.name[281] = "HNO2"; + thermo_.high[281].push_back(3.30359406e+00); + thermo_.high[281].push_back(7.74006618e-03); + thermo_.high[281].push_back(-3.91474332e-06); + thermo_.high[281].push_back(9.47112178e-10); + thermo_.high[281].push_back(-8.88494507e-14); + thermo_.high[281].push_back(-8.65702544e+03); + thermo_.high[281].push_back(7.10072496e+00); + thermo_.low[281].push_back(1.68890715e+00); + thermo_.low[281].push_back(1.13282593e-02); + thermo_.low[281].push_back(-6.90490427e-06); + thermo_.low[281].push_back(2.05457920e-09); + thermo_.low[281].push_back(-2.42664314e-13); + thermo_.low[281].push_back(-8.07573815e+03); + thermo_.low[281].push_back(1.58397474e+01); +} + +{ + thermo_.name[282] = "NO3"; + thermo_.high[282].push_back(7.66391925e+00); + thermo_.high[282].push_back(2.28165967e-03); + thermo_.high[282].push_back(-8.16241554e-07); + thermo_.high[282].push_back(1.11367864e-10); + thermo_.high[282].push_back(-3.38429715e-15); + thermo_.high[282].push_back(5.62975022e+03); + thermo_.high[282].push_back(-1.51899442e+01); + thermo_.low[282].push_back(4.06541943e-01); + thermo_.low[282].push_back(2.41083583e-02); + thermo_.low[282].push_back(-2.54328190e-05); + thermo_.low[282].push_back(1.24505044e-08); + thermo_.low[282].push_back(-2.32277087e-12); + thermo_.low[282].push_back(7.56021258e+03); + thermo_.low[282].push_back(2.18923574e+01); +} + +{ + thermo_.name[283] = "HONO2"; + thermo_.high[283].push_back(5.20949091e+00); + thermo_.high[283].push_back(9.97123440e-03); + thermo_.high[283].push_back(-5.50725421e-06); + thermo_.high[283].push_back(1.39250696e-09); + thermo_.high[283].push_back(-1.33157469e-13); + thermo_.high[283].push_back(-1.74464288e+04); + thermo_.high[283].push_back(-1.35430787e+00); + thermo_.low[283].push_back(8.85706040e-01); + thermo_.low[283].push_back(2.31736309e-02); + thermo_.low[283].push_back(-2.06245022e-05); + thermo_.low[283].push_back(9.08576291e-09); + thermo_.low[283].push_back(-1.60133609e-12); + thermo_.low[283].push_back(-1.63135971e+04); + thermo_.low[283].push_back(2.06729940e+01); +} + +{ + thermo_.name[284] = "CH3CN"; + thermo_.high[284].push_back(2.02660925e+00); + thermo_.high[284].push_back(1.64402545e-02); + thermo_.high[284].push_back(-8.54290907e-06); + thermo_.high[284].push_back(2.13740318e-09); + thermo_.high[284].push_back(-2.08581596e-13); + thermo_.high[284].push_back(8.61823027e+03); + thermo_.high[284].push_back(1.31030643e+01); + thermo_.low[284].push_back(2.36621609e+00); + thermo_.low[284].push_back(1.44996440e-02); + thermo_.low[284].push_back(-4.38445795e-06); + thermo_.low[284].push_back(-1.82302645e-09); + thermo_.low[284].push_back(1.20585756e-12); + thermo_.low[284].push_back(8.57068531e+03); + thermo_.low[284].push_back(1.15857868e+01); +} + +{ + thermo_.name[285] = "CH3NO2"; + thermo_.high[285].push_back(5.94771391e+00); + thermo_.high[285].push_back(1.22319078e-02); + thermo_.high[285].push_back(-4.98716389e-06); + thermo_.high[285].push_back(9.73177561e-10); + thermo_.high[285].push_back(-7.54873508e-14); + thermo_.high[285].push_back(-1.14691242e+04); + thermo_.high[285].push_back(-2.73415041e+00); + thermo_.low[285].push_back(-2.05952276e-01); + thermo_.low[285].push_back(2.74261453e-02); + thermo_.low[285].push_back(-1.90559023e-05); + thermo_.low[285].push_back(6.76278185e-09); + thermo_.low[285].push_back(-9.68944802e-13); + thermo_.low[285].push_back(-9.47533640e+03); + thermo_.low[285].push_back(2.99224212e+01); +} + +{ + thermo_.name[286] = "CH3ONO"; + thermo_.high[286].push_back(8.58034518e+00); + thermo_.high[286].push_back(8.90954082e-03); + thermo_.high[286].push_back(-3.35922089e-06); + thermo_.high[286].push_back(6.18588139e-10); + thermo_.high[286].push_back(-4.68096982e-14); + thermo_.high[286].push_back(-1.15569624e+04); + thermo_.high[286].push_back(-1.97194056e+01); + thermo_.low[286].push_back(1.99249583e+00); + thermo_.low[286].push_back(2.35492060e-02); + thermo_.low[286].push_back(-1.55589419e-05); + thermo_.low[286].push_back(5.13700333e-09); + thermo_.low[286].push_back(-6.74367363e-13); + thermo_.low[286].push_back(-9.18533663e+03); + thermo_.low[286].push_back(1.59354094e+01); +} + +{ + thermo_.name[287] = "CH3NO"; + thermo_.high[287].push_back(1.73828229e+00); + thermo_.high[287].push_back(1.65479495e-02); + thermo_.high[287].push_back(-8.69271695e-06); + thermo_.high[287].push_back(2.17002760e-09); + thermo_.high[287].push_back(-2.08463444e-13); + thermo_.high[287].push_back(8.36473513e+03); + thermo_.high[287].push_back(1.74966005e+01); + thermo_.low[287].push_back(2.23451684e+00); + thermo_.low[287].push_back(1.42398818e-02); + thermo_.low[287].push_back(-4.66701756e-06); + thermo_.low[287].push_back(-9.50669597e-10); + thermo_.low[287].push_back(6.98715974e-13); + thermo_.low[287].push_back(8.27938279e+03); + thermo_.low[287].push_back(1.51773992e+01); +} + +{ + thermo_.name[288] = "CH3ONO2"; + thermo_.high[288].push_back(1.07457798e+01); + thermo_.high[288].push_back(1.03362024e-02); + thermo_.high[288].push_back(-4.39539782e-06); + thermo_.high[288].push_back(8.95959797e-10); + thermo_.high[288].push_back(-7.26862027e-14); + thermo_.high[288].push_back(-1.81031090e+04); + thermo_.high[288].push_back(-3.08875015e+01); + thermo_.low[288].push_back(1.35155390e+00); + thermo_.low[288].push_back(3.12122600e-02); + thermo_.low[288].push_back(-2.17921125e-05); + thermo_.low[288].push_back(7.33918744e-09); + thermo_.low[288].push_back(-9.67578931e-13); + thermo_.low[288].push_back(-1.47211877e+04); + thermo_.low[288].push_back(1.99560088e+01); +} + +{ + thermo_.name[289] = "CH2CN"; + thermo_.high[289].push_back(4.41880974e+00); + thermo_.high[289].push_back(9.83430327e-03); + thermo_.high[289].push_back(-4.98991807e-06); + thermo_.high[289].push_back(1.22319871e-09); + thermo_.high[289].push_back(-1.17396557e-13); + thermo_.high[289].push_back(2.92390343e+04); + thermo_.high[289].push_back(2.02769260e+00); + thermo_.low[289].push_back(2.71162977e+00); + thermo_.low[289].push_back(1.68023848e-02); + thermo_.low[289].push_back(-1.56553489e-05); + thermo_.low[289].push_back(8.47859386e-09); + thermo_.low[289].push_back(-1.96826267e-12); + thermo_.low[289].push_back(2.95736416e+04); + thermo_.low[289].push_back(1.02293594e+01); +} + +{ + thermo_.name[290] = "BIN1A"; + thermo_.high[290].push_back(-3.24173600e+00); + thermo_.high[290].push_back(1.58222900e-01); + thermo_.high[290].push_back(-9.46183500e-05); + thermo_.high[290].push_back(2.81843100e-08); + thermo_.high[290].push_back(-3.56131000e-12); + thermo_.high[290].push_back(2.17869900e+04); + thermo_.high[290].push_back(3.00825300e+01); + thermo_.low[290].push_back(-3.24173600e+00); + thermo_.low[290].push_back(1.58222900e-01); + thermo_.low[290].push_back(-9.46183500e-05); + thermo_.low[290].push_back(2.81843100e-08); + thermo_.low[290].push_back(-3.56131000e-12); + thermo_.low[290].push_back(2.17869900e+04); + thermo_.low[290].push_back(3.00825300e+01); +} + +{ + thermo_.name[291] = "BIN1B"; + thermo_.high[291].push_back(-5.70256700e+00); + thermo_.high[291].push_back(1.43432300e-01); + thermo_.high[291].push_back(-8.80724700e-05); + thermo_.high[291].push_back(2.76799200e-08); + thermo_.high[291].push_back(-3.52289900e-12); + thermo_.high[291].push_back(2.77808900e+04); + thermo_.high[291].push_back(4.34481200e+01); + thermo_.low[291].push_back(-5.70256700e+00); + thermo_.low[291].push_back(1.43432300e-01); + thermo_.low[291].push_back(-8.80724700e-05); + thermo_.low[291].push_back(2.76799200e-08); + thermo_.low[291].push_back(-3.52289900e-12); + thermo_.low[291].push_back(2.77808900e+04); + thermo_.low[291].push_back(4.34481200e+01); +} + +{ + thermo_.name[292] = "CYC6QOOH2"; + thermo_.high[292].push_back(1.91384147e+01); + thermo_.high[292].push_back(3.64873063e-02); + thermo_.high[292].push_back(-1.63612962e-05); + thermo_.high[292].push_back(3.53264562e-09); + thermo_.high[292].push_back(-3.02111689e-13); + thermo_.high[292].push_back(-1.43294351e+04); + thermo_.high[292].push_back(-7.86383640e+01); + thermo_.low[292].push_back(-4.87015408e+00); + thermo_.low[292].push_back(8.98396814e-02); + thermo_.low[292].push_back(-6.08216088e-05); + thermo_.low[292].push_back(1.99994281e-08); + thermo_.low[292].push_back(-2.58916481e-12); + thermo_.low[292].push_back(-5.68635037e+03); + thermo_.low[292].push_back(5.13010187e+01); +} + +{ + thermo_.name[293] = "CYC6QOOH3"; + thermo_.high[293].push_back(2.09300723e+01); + thermo_.high[293].push_back(3.28719793e-02); + thermo_.high[293].push_back(-1.40160778e-05); + thermo_.high[293].push_back(2.89193638e-09); + thermo_.high[293].push_back(-2.38539838e-13); + thermo_.high[293].push_back(-1.52994543e+04); + thermo_.high[293].push_back(-8.89349636e+01); + thermo_.low[293].push_back(-7.04914219e+00); + thermo_.low[293].push_back(9.50480115e-02); + thermo_.low[293].push_back(-6.58294380e-05); + thermo_.low[293].push_back(2.20820698e-08); + thermo_.low[293].push_back(-2.90383614e-12); + thermo_.low[293].push_back(-5.22693704e+03); + thermo_.low[293].push_back(6.24943819e+01); +} + +{ + thermo_.name[294] = "CYC6QOOH4"; + thermo_.high[294].push_back(2.09300723e+01); + thermo_.high[294].push_back(3.28719793e-02); + thermo_.high[294].push_back(-1.40160778e-05); + thermo_.high[294].push_back(2.89193638e-09); + thermo_.high[294].push_back(-2.38539838e-13); + thermo_.high[294].push_back(-1.52994543e+04); + thermo_.high[294].push_back(-8.89349636e+01); + thermo_.low[294].push_back(-7.04914219e+00); + thermo_.low[294].push_back(9.50480115e-02); + thermo_.low[294].push_back(-6.58294380e-05); + thermo_.low[294].push_back(2.20820698e-08); + thermo_.low[294].push_back(-2.90383614e-12); + thermo_.low[294].push_back(-5.22693704e+03); + thermo_.low[294].push_back(6.24943819e+01); +} + +{ + thermo_.name[295] = "CYC6OOQOOH2"; + thermo_.high[295].push_back(2.93742215e+01); + thermo_.high[295].push_back(2.67858800e-02); + thermo_.high[295].push_back(-9.56345992e-06); + thermo_.high[295].push_back(1.54085681e-09); + thermo_.high[295].push_back(-9.31283791e-14); + thermo_.high[295].push_back(-3.55499047e+04); + thermo_.high[295].push_back(-1.29752781e+02); + thermo_.low[295].push_back(-4.99061953e+00); + thermo_.low[295].push_back(1.04446538e-01); + thermo_.low[295].push_back(-7.53775765e-05); + thermo_.low[295].push_back(2.63296013e-08); + thermo_.low[295].push_back(-3.59436348e-12); + thermo_.low[295].push_back(-2.33847510e+04); + thermo_.low[295].push_back(5.56593329e+01); +} + +{ + thermo_.name[296] = "CYC6OOQOOH3"; + thermo_.high[296].push_back(2.93742215e+01); + thermo_.high[296].push_back(2.67858800e-02); + thermo_.high[296].push_back(-9.56345992e-06); + thermo_.high[296].push_back(1.54085681e-09); + thermo_.high[296].push_back(-9.31283791e-14); + thermo_.high[296].push_back(-3.55499047e+04); + thermo_.high[296].push_back(-1.29752781e+02); + thermo_.low[296].push_back(-4.99061953e+00); + thermo_.low[296].push_back(1.04446538e-01); + thermo_.low[296].push_back(-7.53775765e-05); + thermo_.low[296].push_back(2.63296013e-08); + thermo_.low[296].push_back(-3.59436348e-12); + thermo_.low[296].push_back(-2.33847510e+04); + thermo_.low[296].push_back(5.56593329e+01); +} + +{ + thermo_.name[297] = "CYC6OOQOOH4"; + thermo_.high[297].push_back(2.93742215e+01); + thermo_.high[297].push_back(2.67858800e-02); + thermo_.high[297].push_back(-9.56345992e-06); + thermo_.high[297].push_back(1.54085681e-09); + thermo_.high[297].push_back(-9.31283791e-14); + thermo_.high[297].push_back(-3.55499047e+04); + thermo_.high[297].push_back(-1.30447295e+02); + thermo_.low[297].push_back(-4.99061953e+00); + thermo_.low[297].push_back(1.04446538e-01); + thermo_.low[297].push_back(-7.53775765e-05); + thermo_.low[297].push_back(2.63296013e-08); + thermo_.low[297].push_back(-3.59436348e-12); + thermo_.low[297].push_back(-2.33847510e+04); + thermo_.low[297].push_back(5.49648189e+01); +} + +{ + thermo_.name[298] = "CYC6OQOOH2"; + thermo_.high[298].push_back(1.17655243e+01); + thermo_.high[298].push_back(3.67451404e-02); + thermo_.high[298].push_back(-1.42717448e-05); + thermo_.high[298].push_back(2.74140449e-09); + thermo_.high[298].push_back(-2.13135508e-13); + thermo_.high[298].push_back(-3.59903393e+04); + thermo_.high[298].push_back(-5.10812501e+01); + thermo_.low[298].push_back(-1.06696444e+01); + thermo_.low[298].push_back(9.82113560e-02); + thermo_.low[298].push_back(-7.74219664e-05); + thermo_.low[298].push_back(3.15771221e-08); + thermo_.low[298].push_back(-5.15075839e-12); + thermo_.low[298].push_back(-2.94392700e+04); + thermo_.low[298].push_back(6.56457555e+01); +} + +{ + thermo_.name[299] = "CYC6OQOOH3"; + thermo_.high[299].push_back(1.16022418e+01); + thermo_.high[299].push_back(3.57303662e-02); + thermo_.high[299].push_back(-1.34415883e-05); + thermo_.high[299].push_back(2.50437459e-09); + thermo_.high[299].push_back(-1.89510289e-13); + thermo_.high[299].push_back(-3.63821557e+04); + thermo_.high[299].push_back(-4.91587814e+01); + thermo_.low[299].push_back(-8.02402159e+00); + thermo_.low[299].push_back(8.95009509e-02); + thermo_.low[299].push_back(-6.86853396e-05); + thermo_.low[299].push_back(2.77298318e-08); + thermo_.low[299].push_back(-4.50893790e-12); + thermo_.low[299].push_back(-3.06512867e+04); + thermo_.low[299].push_back(5.29538877e+01); +} + +{ + thermo_.name[300] = "CYC6OQOOH4"; + thermo_.high[300].push_back(1.16022418e+01); + thermo_.high[300].push_back(3.57303662e-02); + thermo_.high[300].push_back(-1.34415883e-05); + thermo_.high[300].push_back(2.50437459e-09); + thermo_.high[300].push_back(-1.89510289e-13); + thermo_.high[300].push_back(-3.63821557e+04); + thermo_.high[300].push_back(-4.98532958e+01); + thermo_.low[300].push_back(-8.02402159e+00); + thermo_.low[300].push_back(8.95009509e-02); + thermo_.low[300].push_back(-6.86853396e-05); + thermo_.low[300].push_back(2.77298318e-08); + thermo_.low[300].push_back(-4.50893790e-12); + thermo_.low[300].push_back(-3.06512867e+04); + thermo_.low[300].push_back(5.22593733e+01); +} + +{ + thermo_.name[301] = "CYC6H10O12"; + thermo_.high[301].push_back(2.29323176e+01); + thermo_.high[301].push_back(2.20056554e-02); + thermo_.high[301].push_back(-7.35242348e-06); + thermo_.high[301].push_back(1.07816406e-09); + thermo_.high[301].push_back(-5.64635915e-14); + thermo_.high[301].push_back(-2.79806200e+04); + thermo_.high[301].push_back(-1.10525204e+02); + thermo_.low[301].push_back(-1.05629257e+01); + thermo_.low[301].push_back(9.64395294e-02); + thermo_.low[301].push_back(-6.93806518e-05); + thermo_.low[301].push_back(2.40515820e-08); + thermo_.low[301].push_back(-3.24721608e-12); + thermo_.low[301].push_back(-1.59223324e+04); + thermo_.low[301].push_back(7.07580407e+01); +} + +{ + thermo_.name[302] = "CYC6H10O13"; + thermo_.high[302].push_back(2.18028612e+01); + thermo_.high[302].push_back(2.41377428e-02); + thermo_.high[302].push_back(-8.73118284e-06); + thermo_.high[302].push_back(1.46035609e-09); + thermo_.high[302].push_back(-9.51866870e-14); + thermo_.high[302].push_back(-2.87387454e+04); + thermo_.high[302].push_back(-1.06217525e+02); + thermo_.low[302].push_back(-1.25990095e+01); + thermo_.low[302].push_back(1.00586344e-01); + thermo_.low[302].push_back(-7.24383509e-05); + thermo_.low[302].push_back(2.50556035e-08); + thermo_.low[302].push_back(-3.37230438e-12); + thermo_.low[302].push_back(-1.63540719e+04); + thermo_.low[302].push_back(7.99725758e+01); +} + +{ + thermo_.name[303] = "CYC6H10O14"; + thermo_.high[303].push_back(2.14079592e+01); + thermo_.high[303].push_back(2.50825461e-02); + thermo_.high[303].push_back(-9.38039634e-06); + thermo_.high[303].push_back(1.64525432e-09); + thermo_.high[303].push_back(-1.14247640e-13); + thermo_.high[303].push_back(-3.89741817e+04); + thermo_.high[303].push_back(-1.05728233e+02); + thermo_.low[303].push_back(-1.45960517e+01); + thermo_.low[303].push_back(1.05091459e-01); + thermo_.low[303].push_back(-7.60544907e-05); + thermo_.low[303].push_back(2.63393633e-08); + thermo_.low[303].push_back(-3.54398500e-12); + thermo_.low[303].push_back(-2.60127378e+04); + thermo_.low[303].push_back(8.91329846e+01); +} + +{ + thermo_.name[304] = "C3H5OOH"; + thermo_.high[304].push_back(1.21377197e+01); + thermo_.high[304].push_back(1.68585481e-02); + thermo_.high[304].push_back(-6.94275126e-06); + thermo_.high[304].push_back(1.36958900e-09); + thermo_.high[304].push_back(-1.07427460e-13); + thermo_.high[304].push_back(-1.25265904e+04); + thermo_.high[304].push_back(-3.57194708e+01); + thermo_.low[304].push_back(2.24651097e+00); + thermo_.low[304].push_back(3.88390118e-02); + thermo_.low[304].push_back(-2.52598044e-05); + thermo_.low[304].push_back(8.15368275e-09); + thermo_.low[304].push_back(-1.04966270e-12); + thermo_.low[304].push_back(-8.96575529e+03); + thermo_.low[304].push_back(1.78138141e+01); +} + +{ + thermo_.name[305] = "C5ENOQOOH35"; + thermo_.high[305].push_back(1.69833146e+01); + thermo_.high[305].push_back(2.73095032e-02); + thermo_.high[305].push_back(-1.19226853e-05); + thermo_.high[305].push_back(2.48166925e-09); + thermo_.high[305].push_back(-2.03420392e-13); + thermo_.high[305].push_back(-3.51234520e+04); + thermo_.high[305].push_back(-5.58041780e+01); + thermo_.low[305].push_back(1.44561329e+00); + thermo_.low[305].push_back(6.66454559e-02); + thermo_.low[305].push_back(-4.92669442e-05); + thermo_.low[305].push_back(1.82387405e-08); + thermo_.low[305].push_back(-2.69662788e-12); + thermo_.low[305].push_back(-3.02135384e+04); + thermo_.low[305].push_back(2.62635800e+01); +} + +{ + thermo_.name[306] = "C5H8O"; + thermo_.high[306].push_back(6.70800688e+00); + thermo_.high[306].push_back(3.65243775e-02); + thermo_.high[306].push_back(-1.77765821e-05); + thermo_.high[306].push_back(4.15639148e-09); + thermo_.high[306].push_back(-3.79163309e-13); + thermo_.high[306].push_back(-5.52771782e+03); + thermo_.high[306].push_back(-9.67918417e+00); + thermo_.low[306].push_back(-5.12640161e+00); + thermo_.low[306].push_back(7.21165834e-02); + thermo_.low[306].push_back(-5.79181678e-05); + thermo_.low[306].push_back(2.42774871e-08); + thermo_.low[306].push_back(-4.16132413e-12); + thermo_.low[306].push_back(-2.37976516e+03); + thermo_.low[306].push_back(5.07899199e+01); +} + +{ + thermo_.name[307] = "NC5H93"; + thermo_.high[307].push_back(9.88287390e+00); + thermo_.high[307].push_back(2.86275350e-02); + thermo_.high[307].push_back(-1.23662428e-05); + thermo_.high[307].push_back(2.58308509e-09); + thermo_.high[307].push_back(-2.14520963e-13); + thermo_.high[307].push_back(7.14211639e+03); + thermo_.high[307].push_back(-2.81379758e+01); + thermo_.low[307].push_back(-9.61360661e-01); + thermo_.low[307].push_back(5.27258341e-02); + thermo_.low[307].push_back(-3.24481586e-05); + thermo_.low[307].push_back(1.00208317e-08); + thermo_.low[307].push_back(-1.24754133e-12); + thermo_.low[307].push_back(1.10460408e+04); + thermo_.low[307].push_back(3.05532839e+01); +} + +{ + thermo_.name[308] = "C3H5OO"; + thermo_.high[308].push_back(7.69230110e+00); + thermo_.high[308].push_back(2.05361077e-02); + thermo_.high[308].push_back(-9.61589847e-06); + thermo_.high[308].push_back(2.15332094e-09); + thermo_.high[308].push_back(-1.88909485e-13); + thermo_.high[308].push_back(6.21484234e+03); + thermo_.high[308].push_back(-1.04053755e+01); + thermo_.low[308].push_back(2.96424215e+00); + thermo_.low[308].push_back(3.10429054e-02); + thermo_.low[308].push_back(-1.83715632e-05); + thermo_.low[308].push_back(5.39615972e-09); + thermo_.low[308].push_back(-6.39303761e-13); + thermo_.low[308].push_back(7.91694356e+03); + thermo_.low[308].push_back(1.51838658e+01); +} + +{ + thermo_.name[309] = "C5ENOO"; + thermo_.high[309].push_back(1.00840321e+01); + thermo_.high[309].push_back(3.69913036e-02); + thermo_.high[309].push_back(-1.74216180e-05); + thermo_.high[309].push_back(3.93130749e-09); + thermo_.high[309].push_back(-3.47257402e-13); + thermo_.high[309].push_back(-8.98415155e+02); + thermo_.high[309].push_back(-1.96513637e+01); + thermo_.low[309].push_back(4.09897281e-01); + thermo_.low[309].push_back(6.72229749e-02); + thermo_.low[309].push_back(-5.28493577e-05); + thermo_.low[309].push_back(2.23832553e-08); + thermo_.low[309].push_back(-3.95115346e-12); + thermo_.low[309].push_back(1.57816336e+03); + thermo_.low[309].push_back(2.94089022e+01); +} + +{ + thermo_.name[310] = "C5ENQOOH"; + thermo_.high[310].push_back(1.28791275e+01); + thermo_.high[310].push_back(3.32930454e-02); + thermo_.high[310].push_back(-1.55378924e-05); + thermo_.high[310].push_back(3.46674396e-09); + thermo_.high[310].push_back(-3.02869803e-13); + thermo_.high[310].push_back(3.23011716e+03); + thermo_.high[310].push_back(-3.38507184e+01); + thermo_.low[310].push_back(1.34404411e+00); + thermo_.low[310].push_back(6.57862381e-02); + thermo_.low[310].push_back(-4.98616876e-05); + thermo_.low[310].push_back(1.95812018e-08); + thermo_.low[310].push_back(-3.13992224e-12); + thermo_.low[310].push_back(6.50608085e+03); + thermo_.low[310].push_back(2.58442475e+01); +} + +{ + thermo_.name[311] = "C5ENOOQOOH35"; + thermo_.high[311].push_back(1.36699765e+01); + thermo_.high[311].push_back(4.21231935e-02); + thermo_.high[311].push_back(-2.15503712e-05); + thermo_.high[311].push_back(5.21806336e-09); + thermo_.high[311].push_back(-4.87293014e-13); + thermo_.high[311].push_back(-1.42354804e+04); + thermo_.high[311].push_back(-3.35883364e+01); + thermo_.low[311].push_back(5.24578583e-01); + thermo_.low[311].push_back(8.74521518e-02); + thermo_.low[311].push_back(-8.01654035e-05); + thermo_.low[311].push_back(3.89048635e-08); + thermo_.low[311].push_back(-7.74737926e-12); + thermo_.low[311].push_back(-1.11857480e+04); + thermo_.low[311].push_back(3.17816498e+01); +} + +{ + thermo_.name[312] = "NC3H7OH"; + thermo_.high[312].push_back(1.03578665e+01); + thermo_.high[312].push_back(1.87834500e-02); + thermo_.high[312].push_back(-6.54155125e-06); + thermo_.high[312].push_back(1.06792692e-09); + thermo_.high[312].push_back(-6.79101580e-14); + thermo_.high[312].push_back(-3.60054458e+04); + thermo_.high[312].push_back(-2.89224528e+01); + thermo_.low[312].push_back(2.34636347e-01); + thermo_.low[312].push_back(4.12795171e-02); + thermo_.low[312].push_back(-2.52882738e-05); + thermo_.low[312].push_back(8.01115750e-09); + thermo_.low[312].push_back(-1.03224774e-12); + thermo_.low[312].push_back(-3.23610829e+04); + thermo_.low[312].push_back(2.58665808e+01); +} + +{ + thermo_.name[313] = "N1C4H9OH"; + thermo_.high[313].push_back(1.19078661e+01); + thermo_.high[313].push_back(2.67959929e-02); + thermo_.high[313].push_back(-1.07944841e-05); + thermo_.high[313].push_back(2.10106148e-09); + thermo_.high[313].push_back(-1.63536607e-13); + thermo_.high[313].push_back(-3.95221179e+04); + thermo_.high[313].push_back(-3.57389868e+01); + thermo_.low[313].push_back(7.73360084e-02); + thermo_.low[313].push_back(5.30860597e-02); + thermo_.low[313].push_back(-3.27028730e-05); + thermo_.low[313].push_back(1.02152796e-08); + thermo_.low[313].push_back(-1.29051135e-12); + thermo_.low[313].push_back(-3.52631271e+04); + thermo_.low[313].push_back(2.82903098e+01); +} + +{ + thermo_.name[314] = "N2C4H9OH"; + thermo_.high[314].push_back(1.39850075e+01); + thermo_.high[314].push_back(2.35768220e-02); + thermo_.high[314].push_back(-8.73106106e-06); + thermo_.high[314].push_back(1.51546163e-09); + thermo_.high[314].push_back(-1.02847459e-13); + thermo_.high[314].push_back(-4.24053999e+04); + thermo_.high[314].push_back(-4.83702850e+01); + thermo_.low[314].push_back(1.11912948e-01); + thermo_.low[314].push_back(5.44059211e-02); + thermo_.low[314].push_back(-3.44219770e-05); + thermo_.low[314].push_back(1.10306157e-08); + thermo_.low[314].push_back(-1.42439663e-12); + thermo_.low[314].push_back(-3.74110858e+04); + thermo_.low[314].push_back(2.67137970e+01); +} + +{ + thermo_.name[315] = "CH3CH2CHOHCH2"; + thermo_.high[315].push_back(1.39333095e+01); + thermo_.high[315].push_back(2.07599768e-02); + thermo_.high[315].push_back(-7.56097165e-06); + thermo_.high[315].push_back(1.27900113e-09); + thermo_.high[315].push_back(-8.37238502e-14); + thermo_.high[315].push_back(-1.74897435e+04); + thermo_.high[315].push_back(-4.46134901e+01); + thermo_.low[315].push_back(9.11733056e-01); + thermo_.low[315].push_back(4.96968134e-02); + thermo_.low[315].push_back(-3.16750021e-05); + thermo_.low[315].push_back(1.02101235e-08); + thermo_.low[315].push_back(-1.32415752e-12); + thermo_.low[315].push_back(-1.28019760e+04); + thermo_.low[315].push_back(2.58619981e+01); +} + +{ + thermo_.name[316] = "CH3CH2CHOCH3"; + thermo_.high[316].push_back(1.30434362e+01); + thermo_.high[316].push_back(2.38164771e-02); + thermo_.high[316].push_back(-9.82552432e-06); + thermo_.high[316].push_back(1.93897534e-09); + thermo_.high[316].push_back(-1.51918988e-13); + thermo_.high[316].push_back(-1.58538336e+04); + thermo_.high[316].push_back(-4.35088383e+01); + thermo_.low[316].push_back(4.17731726e-02); + thermo_.low[316].push_back(5.27090615e-02); + thermo_.low[316].push_back(-3.39026780e-05); + thermo_.low[316].push_back(1.08564397e-08); + thermo_.low[316].push_back(-1.39045570e-12); + thermo_.low[316].push_back(-1.11732349e+04); + thermo_.low[316].push_back(2.68588742e+01); +} + +{ + thermo_.name[317] = "CH3CH2COHCH3"; + thermo_.high[317].push_back(8.72382272e+00); + thermo_.high[317].push_back(3.04342830e-02); + thermo_.high[317].push_back(-1.39185549e-05); + thermo_.high[317].push_back(3.06043861e-09); + thermo_.high[317].push_back(-2.64689231e-13); + thermo_.high[317].push_back(-1.80661273e+04); + thermo_.high[317].push_back(-1.71435098e+01); + thermo_.low[317].push_back(1.27395834e+00); + thermo_.low[317].push_back(5.12730645e-02); + thermo_.low[317].push_back(-3.57774166e-05); + thermo_.low[317].push_back(1.32510501e-08); + thermo_.low[317].push_back(-2.04626467e-12); + thermo_.low[317].push_back(-1.59354661e+04); + thermo_.low[317].push_back(2.14624055e+01); +} + +{ + thermo_.name[318] = "CH3CHCHOHCH3"; + thermo_.high[318].push_back(1.11524016e+01); + thermo_.high[318].push_back(2.52912378e-02); + thermo_.high[318].push_back(-1.05179486e-05); + thermo_.high[318].push_back(2.12392650e-09); + thermo_.high[318].push_back(-1.71553011e-13); + thermo_.high[318].push_back(-1.78095410e+04); + thermo_.high[318].push_back(-2.94209720e+01); + thermo_.low[318].push_back(6.76902371e-01); + thermo_.low[318].push_back(4.85701251e-02); + thermo_.low[318].push_back(-2.99170213e-05); + thermo_.low[318].push_back(9.30876825e-09); + thermo_.low[318].push_back(-1.16944770e-12); + thermo_.low[318].push_back(-1.40383613e+04); + thermo_.low[318].push_back(2.72746153e+01); +} + +{ + thermo_.name[319] = "CH2CH2CHOHCH3"; + thermo_.high[319].push_back(1.39333095e+01); + thermo_.high[319].push_back(2.07599768e-02); + thermo_.high[319].push_back(-7.56097165e-06); + thermo_.high[319].push_back(1.27900113e-09); + thermo_.high[319].push_back(-8.37238502e-14); + thermo_.high[319].push_back(-1.74897435e+04); + thermo_.high[319].push_back(-4.46134901e+01); + thermo_.low[319].push_back(9.11733056e-01); + thermo_.low[319].push_back(4.96968134e-02); + thermo_.low[319].push_back(-3.16750021e-05); + thermo_.low[319].push_back(1.02101235e-08); + thermo_.low[319].push_back(-1.32415752e-12); + thermo_.low[319].push_back(-1.28019760e+04); + thermo_.low[319].push_back(2.58619981e+01); +} + +{ + thermo_.name[320] = "MEK"; + thermo_.high[320].push_back(1.00996674e+01); + thermo_.high[320].push_back(2.22850926e-02); + thermo_.high[320].push_back(-8.24112797e-06); + thermo_.high[320].push_back(1.42760366e-09); + thermo_.high[320].push_back(-9.77654881e-14); + thermo_.high[320].push_back(-3.40270944e+04); + thermo_.high[320].push_back(-2.55002808e+01); + thermo_.low[320].push_back(1.67138626e+00); + thermo_.low[320].push_back(4.10146063e-02); + thermo_.low[320].push_back(-2.38490560e-05); + thermo_.low[320].push_back(7.20831776e-09); + thermo_.low[320].push_back(-9.00642446e-13); + thermo_.low[320].push_back(-3.09929132e+04); + thermo_.low[320].push_back(2.01153350e+01); +} + +{ + thermo_.name[321] = "TC4H9OH"; + thermo_.high[321].push_back(9.08150387e+00); + thermo_.high[321].push_back(3.22201837e-02); + thermo_.high[321].push_back(-1.41979352e-05); + thermo_.high[321].push_back(3.03249263e-09); + thermo_.high[321].push_back(-2.56658356e-13); + thermo_.high[321].push_back(-4.23917231e+04); + thermo_.high[321].push_back(-2.36263218e+01); + thermo_.low[321].push_back(-6.99999563e-01); + thermo_.low[321].push_back(5.93910266e-02); + thermo_.low[321].push_back(-4.25008966e-05); + thermo_.low[321].push_back(1.61357155e-08); + thermo_.low[321].push_back(-2.53152343e-12); + thermo_.low[321].push_back(-3.95746501e+04); + thermo_.low[321].push_back(2.71305359e+01); +} + +{ + thermo_.name[322] = "IC4H9OH"; + thermo_.high[322].push_back(1.44537517e+01); + thermo_.high[322].push_back(2.20810695e-02); + thermo_.high[322].push_back(-7.57959310e-06); + thermo_.high[322].push_back(1.19533670e-09); + thermo_.high[322].push_back(-7.16167606e-14); + thermo_.high[322].push_back(-4.15822810e+04); + thermo_.high[322].push_back(-5.13315495e+01); + thermo_.low[322].push_back(-5.45479447e-01); + thermo_.low[322].push_back(5.54126942e-02); + thermo_.low[322].push_back(-3.53559470e-05); + thermo_.low[322].push_back(1.14828752e-08); + thermo_.low[322].push_back(-1.50044155e-12); + thermo_.low[322].push_back(-3.61825578e+04); + thermo_.low[322].push_back(2.98474183e+01); +} + +{ + thermo_.name[323] = "CH3CH2CH2CH2O"; + thermo_.high[323].push_back(1.16093380e+01); + thermo_.high[323].push_back(2.56981798e-02); + thermo_.high[323].push_back(-1.09676558e-05); + thermo_.high[323].push_back(2.25993093e-09); + thermo_.high[323].push_back(-1.85313976e-13); + thermo_.high[323].push_back(-1.31948148e+04); + thermo_.high[323].push_back(-3.43573902e+01); + thermo_.low[323].push_back(5.90549372e-02); + thermo_.low[323].push_back(5.13654755e-02); + thermo_.low[323].push_back(-3.23570689e-05); + thermo_.low[323].push_back(1.01819358e-08); + thermo_.low[323].push_back(-1.28559243e-12); + thermo_.low[323].push_back(-9.03671291e+03); + thermo_.low[323].push_back(2.81551514e+01); +} + +{ + thermo_.name[324] = "C3H7CHO"; + thermo_.high[324].push_back(-9.77279434e-01); + thermo_.high[324].push_back(5.24983747e-02); + thermo_.high[324].push_back(-3.09762338e-05); + thermo_.high[324].push_back(8.32680251e-09); + thermo_.high[324].push_back(-8.38156520e-13); + thermo_.high[324].push_back(-2.70767712e+04); + thermo_.high[324].push_back(3.27194912e+01); + thermo_.low[324].push_back(3.71554492e+00); + thermo_.low[324].push_back(2.56822356e-02); + thermo_.low[324].push_back(2.64869216e-05); + thermo_.low[324].push_back(-4.64000121e-08); + thermo_.low[324].push_back(1.87071344e-11); + thermo_.low[324].push_back(-2.77337666e+04); + thermo_.low[324].push_back(1.17531393e+01); +} + +{ + thermo_.name[325] = "CH3CH2CHOH"; + thermo_.high[325].push_back(8.28181025e+00); + thermo_.high[325].push_back(2.00744959e-02); + thermo_.high[325].push_back(-8.21041648e-06); + thermo_.high[325].push_back(1.62349331e-09); + thermo_.high[325].push_back(-1.27917758e-13); + thermo_.high[325].push_back(-1.30492834e+04); + thermo_.high[325].push_back(-1.56179098e+01); + thermo_.low[325].push_back(1.73835403e+00); + thermo_.low[325].push_back(3.62311779e-02); + thermo_.low[325].push_back(-2.31703072e-05); + thermo_.low[325].push_back(7.77982697e-09); + thermo_.low[325].push_back(-1.07796925e-12); + thermo_.low[325].push_back(-1.09292035e+04); + thermo_.low[325].push_back(1.91072184e+01); +} + +{ + thermo_.name[326] = "CH3CHCH2OH"; + thermo_.high[326].push_back(7.64501934e+00); + thermo_.high[326].push_back(2.06996931e-02); + thermo_.high[326].push_back(-8.77824684e-06); + thermo_.high[326].push_back(1.84245353e-09); + thermo_.high[326].push_back(-1.55992331e-13); + thermo_.high[326].push_back(-1.15050426e+04); + thermo_.high[326].push_back(-1.08131884e+01); + thermo_.low[326].push_back(5.39035202e-01); + thermo_.low[326].push_back(3.64907690e-02); + thermo_.low[326].push_back(-2.19374767e-05); + thermo_.low[326].push_back(6.71624238e-09); + thermo_.low[326].push_back(-8.32907449e-13); + thermo_.low[326].push_back(-8.94688828e+03); + thermo_.low[326].push_back(2.76458802e+01); +} + +{ + thermo_.name[327] = "CH2CH2CH2OH"; + thermo_.high[327].push_back(9.49770379e+00); + thermo_.high[327].push_back(1.77061096e-02); + thermo_.high[327].push_back(-6.68456978e-06); + thermo_.high[327].push_back(1.20981994e-09); + thermo_.high[327].push_back(-8.73179586e-14); + thermo_.high[327].push_back(-1.07976200e+04); + thermo_.high[327].push_back(-2.07829255e+01); + thermo_.low[327].push_back(1.04629052e+00); + thermo_.low[327].push_back(3.64870279e-02); + thermo_.low[327].push_back(-2.23353351e-05); + thermo_.low[327].push_back(7.00639969e-09); + thermo_.low[327].push_back(-8.92398479e-13); + thermo_.low[327].push_back(-7.75511123e+03); + thermo_.low[327].push_back(2.49578861e+01); +} + +{ + thermo_.name[328] = "CH3CH2CH2O"; + thermo_.high[328].push_back(9.07749584e+00); + thermo_.high[328].push_back(1.96975457e-02); + thermo_.high[328].push_back(-8.18089073e-06); + thermo_.high[328].push_back(1.64328968e-09); + thermo_.high[328].push_back(-1.31786153e-13); + thermo_.high[328].push_back(-9.31061125e+03); + thermo_.high[328].push_back(-2.21687275e+01); + thermo_.low[328].push_back(2.91958855e-01); + thermo_.low[328].push_back(3.92209612e-02); + thermo_.low[328].push_back(-2.44504037e-05); + thermo_.low[328].push_back(7.66903521e-09); + thermo_.low[328].push_back(-9.68695255e-13); + thermo_.low[328].push_back(-6.14781793e+03); + thermo_.low[328].push_back(2.53804314e+01); +} + +{ + thermo_.name[329] = "CH3COHCH3"; + thermo_.high[329].push_back(6.71652579e+00); + thermo_.high[329].push_back(2.35306498e-02); + thermo_.high[329].push_back(-1.06144747e-05); + thermo_.high[329].push_back(2.31761627e-09); + thermo_.high[329].push_back(-1.99886320e-13); + thermo_.high[329].push_back(-1.44175086e+04); + thermo_.high[329].push_back(-7.90476332e+00); + thermo_.low[329].push_back(1.21649821e+00); + thermo_.low[329].push_back(4.08535713e-02); + thermo_.low[329].push_back(-3.10746182e-05); + thermo_.low[329].push_back(1.30578491e-08); + thermo_.low[329].push_back(-2.31410538e-12); + thermo_.low[329].push_back(-1.30205016e+04); + thermo_.low[329].push_back(1.99442900e+01); +} + +{ + thermo_.name[330] = "CH2CHOHCH3"; + thermo_.high[330].push_back(6.32694430e+00); + thermo_.high[330].push_back(2.38762490e-02); + thermo_.high[330].push_back(-1.07376178e-05); + thermo_.high[330].push_back(2.33737032e-09); + thermo_.high[330].push_back(-2.01069469e-13); + thermo_.high[330].push_back(-1.14217376e+04); + thermo_.high[330].push_back(-3.95690500e+00); + thermo_.low[330].push_back(6.40756935e-01); + thermo_.low[330].push_back(4.03579515e-02); + thermo_.low[330].push_back(-2.86525118e-05); + thermo_.low[330].push_back(1.09919085e-08); + thermo_.low[330].push_back(-1.76892059e-12); + thermo_.low[330].push_back(-9.85234986e+03); + thermo_.low[330].push_back(2.53070892e+01); +} + +{ + thermo_.name[331] = "CH3CH2CH2CHOH"; + thermo_.high[331].push_back(1.30151659e+01); + thermo_.high[331].push_back(2.21750012e-02); + thermo_.high[331].push_back(-8.49156594e-06); + thermo_.high[331].push_back(1.54860371e-09); + thermo_.high[331].push_back(-1.12013678e-13); + thermo_.high[331].push_back(-1.79081220e+04); + thermo_.high[331].push_back(-4.01994427e+01); + thermo_.low[331].push_back(1.75489331e+00); + thermo_.low[331].push_back(4.71978292e-02); + thermo_.low[331].push_back(-2.93439226e-05); + thermo_.low[331].push_back(9.27169878e-09); + thermo_.low[331].push_back(-1.18466577e-12); + thermo_.low[331].push_back(-1.38544238e+04); + thermo_.low[331].push_back(2.07435017e+01); +} + +{ + thermo_.name[332] = "CH3CH2CHCH2OH"; + thermo_.high[332].push_back(1.15124775e+01); + thermo_.high[332].push_back(2.41072597e-02); + thermo_.high[332].push_back(-9.86401997e-06); + thermo_.high[332].push_back(1.98674692e-09); + thermo_.high[332].push_back(-1.62119892e-13); + thermo_.high[332].push_back(-1.58991633e+04); + thermo_.high[332].push_back(-3.03580006e+01); + thermo_.low[332].push_back(1.53457350e-01); + thermo_.low[332].push_back(4.93495266e-02); + thermo_.low[332].push_back(-3.08992425e-05); + thermo_.low[332].push_back(9.77757006e-09); + thermo_.low[332].push_back(-1.24417866e-12); + thermo_.low[332].push_back(-1.18099160e+04); + thermo_.low[332].push_back(3.11193861e+01); +} + +{ + thermo_.name[333] = "CH3CHCH2CH2OH"; + thermo_.high[333].push_back(1.15124775e+01); + thermo_.high[333].push_back(2.41072597e-02); + thermo_.high[333].push_back(-9.86401997e-06); + thermo_.high[333].push_back(1.98674692e-09); + thermo_.high[333].push_back(-1.62119892e-13); + thermo_.high[333].push_back(-1.58991633e+04); + thermo_.high[333].push_back(-3.03580006e+01); + thermo_.low[333].push_back(1.53457350e-01); + thermo_.low[333].push_back(4.93495266e-02); + thermo_.low[333].push_back(-3.08992425e-05); + thermo_.low[333].push_back(9.77757006e-09); + thermo_.low[333].push_back(-1.24417866e-12); + thermo_.low[333].push_back(-1.18099160e+04); + thermo_.low[333].push_back(3.11193861e+01); +} + +{ + thermo_.name[334] = "CH2CH2CH2CH2OH"; + thermo_.high[334].push_back(1.17572858e+01); + thermo_.high[334].push_back(2.41574264e-02); + thermo_.high[334].push_back(-9.72976868e-06); + thermo_.high[334].push_back(1.89143875e-09); + thermo_.high[334].push_back(-1.46945289e-13); + thermo_.high[334].push_back(-1.45672160e+04); + thermo_.high[334].push_back(-3.14377946e+01); + thermo_.low[334].push_back(8.93764133e-01); + thermo_.low[334].push_back(4.82985857e-02); + thermo_.low[334].push_back(-2.98474014e-05); + thermo_.low[334].push_back(9.34241382e-09); + thermo_.low[334].push_back(-1.18180294e-12); + thermo_.low[334].push_back(-1.06563482e+04); + thermo_.low[334].push_back(2.73578508e+01); +} + +{ + thermo_.name[335] = "RTC4H8OH"; + thermo_.high[335].push_back(8.66823484e+00); + thermo_.high[335].push_back(3.01271731e-02); + thermo_.high[335].push_back(-1.35256253e-05); + thermo_.high[335].push_back(2.94117291e-09); + thermo_.high[335].push_back(-2.52822189e-13); + thermo_.high[335].push_back(-1.73478965e+04); + thermo_.high[335].push_back(-1.68023720e+01); + thermo_.low[335].push_back(1.39901320e-03); + thermo_.low[335].push_back(5.52484364e-02); + thermo_.low[335].push_back(-4.08313463e-05); + thermo_.low[335].push_back(1.61323424e-08); + thermo_.low[335].push_back(-2.64252681e-12); + thermo_.low[335].push_back(-1.49558499e+04); + thermo_.low[335].push_back(2.78015457e+01); +} + +{ + thermo_.name[336] = "RTC4H9O"; + thermo_.high[336].push_back(1.16852527e+01); + thermo_.high[336].push_back(2.57155374e-02); + thermo_.high[336].push_back(-1.07539562e-05); + thermo_.high[336].push_back(2.15924613e-09); + thermo_.high[336].push_back(-1.71897014e-13); + thermo_.high[336].push_back(-1.72607591e+04); + thermo_.high[336].push_back(-3.73085633e+01); + thermo_.low[336].push_back(-2.94435988e-01); + thermo_.low[336].push_back(5.54787390e-02); + thermo_.low[336].push_back(-3.84836472e-05); + thermo_.low[336].push_back(1.36415198e-08); + thermo_.low[336].push_back(-1.95485877e-12); + thermo_.low[336].push_back(-1.34032994e+04); + thermo_.low[336].push_back(2.61916467e+01); +} + +{ + thermo_.name[337] = "CH3CHCH2OCH3"; + thermo_.high[337].push_back(1.38488385e+01); + thermo_.high[337].push_back(2.14834842e-02); + thermo_.high[337].push_back(-8.03028843e-06); + thermo_.high[337].push_back(1.42167056e-09); + thermo_.high[337].push_back(-9.95437051e-14); + thermo_.high[337].push_back(-1.51249440e+04); + thermo_.high[337].push_back(-4.82209549e+01); + thermo_.low[337].push_back(-4.69026374e-01); + thermo_.low[337].push_back(5.33009618e-02); + thermo_.low[337].push_back(-3.45448531e-05); + thermo_.low[337].push_back(1.12418797e-08); + thermo_.low[337].push_back(-1.46346164e-12); + thermo_.low[337].push_back(-9.97051265e+03); + thermo_.low[337].push_back(2.92703168e+01); +} + +{ + thermo_.name[338] = "CH3CHCH3CHOH"; + thermo_.high[338].push_back(8.91411879e+00); + thermo_.high[338].push_back(2.94184843e-02); + thermo_.high[338].push_back(-1.30488503e-05); + thermo_.high[338].push_back(2.81020956e-09); + thermo_.high[338].push_back(-2.39749810e-13); + thermo_.high[338].push_back(-1.71145335e+04); + thermo_.high[338].push_back(-1.85255698e+01); + thermo_.low[338].push_back(6.16106328e-01); + thermo_.low[338].push_back(5.23095531e-02); + thermo_.low[338].push_back(-3.67292664e-05); + thermo_.low[338].push_back(1.36977572e-08); + thermo_.low[338].push_back(-2.11691319e-12); + thermo_.low[338].push_back(-1.47081099e+04); + thermo_.low[338].push_back(2.45907827e+01); +} + +{ + thermo_.name[339] = "CH3CCH2OHCH3"; + thermo_.high[339].push_back(2.02076663e+00); + thermo_.high[339].push_back(4.09903683e-02); + thermo_.high[339].push_back(-2.06486866e-05); + thermo_.high[339].push_back(5.00507647e-09); + thermo_.high[339].push_back(-4.71523451e-13); + thermo_.high[339].push_back(-1.40718373e+04); + thermo_.high[339].push_back(2.15880986e+01); + thermo_.low[339].push_back(3.53447938e+00); + thermo_.low[339].push_back(3.23405812e-02); + thermo_.low[339].push_back(-2.11342851e-06); + thermo_.low[339].push_back(-1.26475503e-08); + thermo_.low[339].push_back(5.83298611e-12); + thermo_.low[339].push_back(-1.42837571e+04); + thermo_.low[339].push_back(1.48252130e+01); +} + +{ + thermo_.name[340] = "CH2CHCH2OHCH3"; + thermo_.high[340].push_back(1.38129918e+01); + thermo_.high[340].push_back(2.02819032e-02); + thermo_.high[340].push_back(-7.03372780e-06); + thermo_.high[340].push_back(1.12439860e-09); + thermo_.high[340].push_back(-6.86002896e-14); + thermo_.high[340].push_back(-1.64045579e+04); + thermo_.high[340].push_back(-4.42517079e+01); + thermo_.low[340].push_back(2.32452600e-01); + thermo_.low[340].push_back(5.07999690e-02); + thermo_.low[340].push_back(-3.27511989e-05); + thermo_.low[340].push_back(1.07564103e-08); + thermo_.low[340].push_back(-1.42141092e-12); + thermo_.low[340].push_back(-1.15698860e+04); + thermo_.low[340].push_back(2.90972641e+01); +} + +{ + thermo_.name[341] = "C4H7OH"; + thermo_.high[341].push_back(1.00981665e+01); + thermo_.high[341].push_back(2.15734935e-02); + thermo_.high[341].push_back(-6.74008418e-06); + thermo_.high[341].push_back(9.16825971e-10); + thermo_.high[341].push_back(-4.16200161e-14); + thermo_.high[341].push_back(-2.37290909e+04); + thermo_.high[341].push_back(-2.45741592e+01); + thermo_.low[341].push_back(-2.55531336e-01); + thermo_.low[341].push_back(4.99397889e-02); + thermo_.low[341].push_back(-3.58835384e-05); + thermo_.low[341].push_back(1.42243393e-08); + thermo_.low[341].push_back(-2.32030381e-12); + thermo_.low[341].push_back(-2.07058111e+04); + thermo_.low[341].push_back(2.92946643e+01); +} + +{ + thermo_.name[342] = "C3H5OH"; + thermo_.high[342].push_back(2.45863176e+00); + thermo_.high[342].push_back(2.66446458e-02); + thermo_.high[342].push_back(-1.24879759e-05); + thermo_.high[342].push_back(2.92198798e-09); + thermo_.high[342].push_back(-2.71872686e-13); + thermo_.high[342].push_back(-1.72239991e+04); + thermo_.high[342].push_back(1.83830345e+01); + thermo_.low[342].push_back(4.24999286e+00); + thermo_.low[342].push_back(1.79062989e-02); + thermo_.low[342].push_back(3.49680492e-06); + thermo_.low[342].push_back(-1.00737688e-08); + thermo_.low[342].push_back(3.69024828e-12); + thermo_.low[342].push_back(-1.75177823e+04); + thermo_.low[342].push_back(1.00962500e+01); +} + +{ + thermo_.name[343] = "RCRESOLO"; + thermo_.high[343].push_back(1.27824813e+01); + thermo_.high[343].push_back(2.40796407e-02); + thermo_.high[343].push_back(-4.51347946e-06); + thermo_.high[343].push_back(-4.25076334e-10); + thermo_.high[343].push_back(1.44988488e-13); + thermo_.high[343].push_back(-3.97704754e+03); + thermo_.high[343].push_back(-4.00543783e+01); + thermo_.low[343].push_back(-6.60757189e+00); + thermo_.low[343].push_back(9.15233042e-02); + thermo_.low[343].push_back(-9.24834752e-05); + thermo_.low[343].push_back(5.05720227e-08); + thermo_.low[343].push_back(-1.09413374e-11); + thermo_.low[343].push_back(4.82664709e+02); + thermo_.low[343].push_back(5.62014116e+01); +} + +{ + thermo_.name[344] = "RCRESOLC"; + thermo_.high[344].push_back(1.31541709e+01); + thermo_.high[344].push_back(2.50657189e-02); + thermo_.high[344].push_back(-5.32353914e-06); + thermo_.high[344].push_back(-2.12687585e-10); + thermo_.high[344].push_back(1.25840459e-13); + thermo_.high[344].push_back(-3.38086418e+03); + thermo_.high[344].push_back(-4.22339552e+01); + thermo_.low[344].push_back(-6.42956805e+00); + thermo_.low[344].push_back(9.31830717e-02); + thermo_.low[344].push_back(-9.41722601e-05); + thermo_.low[344].push_back(5.12938173e-08); + thermo_.low[344].push_back(-1.10712258e-11); + thermo_.low[344].push_back(1.12339577e+03); + thermo_.low[344].push_back(5.49833259e+01); +} + +{ + thermo_.name[345] = "C10H10"; + thermo_.high[345].push_back(1.82592698e+01); + thermo_.high[345].push_back(4.15934216e-02); + thermo_.high[345].push_back(-1.83631832e-05); + thermo_.high[345].push_back(3.88491136e-09); + thermo_.high[345].push_back(-3.27420808e-13); + thermo_.high[345].push_back(4.39687821e+03); + thermo_.high[345].push_back(-8.23923218e+01); + thermo_.low[345].push_back(-1.14588964e+01); + thermo_.low[345].push_back(1.07633791e-01); + thermo_.low[345].push_back(-7.33968243e-05); + thermo_.low[345].push_back(2.42677414e-08); + thermo_.low[345].push_back(-3.15836942e-12); + thermo_.low[345].push_back(1.50954180e+04); + thermo_.low[345].push_back(7.84485932e+01); +} + +{ + thermo_.name[346] = "BZFUR"; + thermo_.high[346].push_back(1.64578334e+01); + thermo_.high[346].push_back(2.37623567e-02); + thermo_.high[346].push_back(-8.52218599e-06); + thermo_.high[346].push_back(1.36123710e-09); + thermo_.high[346].push_back(-7.97159891e-14); + thermo_.high[346].push_back(-5.90596972e+03); + thermo_.high[346].push_back(-6.59480381e+01); + thermo_.low[346].push_back(-8.70136947e+00); + thermo_.low[346].push_back(9.66875823e-02); + thermo_.low[346].push_back(-8.77887356e-05); + thermo_.low[346].push_back(3.96542562e-08); + thermo_.low[346].push_back(-7.01685714e-12); + thermo_.low[346].push_back(1.03797027e+03); + thermo_.low[346].push_back(6.35339364e+01); +} + +{ + thermo_.name[347] = "ODECAL"; + thermo_.high[347].push_back(2.82109941e+01); + thermo_.high[347].push_back(4.74108396e-02); + thermo_.high[347].push_back(-1.82963852e-05); + thermo_.high[347].push_back(3.42084161e-09); + thermo_.high[347].push_back(-2.57817125e-13); + thermo_.high[347].push_back(-2.68355230e+04); + thermo_.high[347].push_back(-1.31410203e+02); + thermo_.low[347].push_back(-1.02710769e+01); + thermo_.low[347].push_back(1.32926553e-01); + thermo_.low[347].push_back(-8.95594797e-05); + thermo_.low[347].push_back(2.98145803e-08); + thermo_.low[347].push_back(-3.92361417e-12); + thermo_.low[347].push_back(-1.29819774e+04); + thermo_.low[347].push_back(7.68627930e+01); +} + +{ + thermo_.name[348] = "RTETRALIN"; + thermo_.high[348].push_back(2.92428061e+01); + thermo_.high[348].push_back(2.67835937e-02); + thermo_.high[348].push_back(-9.17249482e-06); + thermo_.high[348].push_back(1.42952536e-09); + thermo_.high[348].push_back(-8.46466186e-14); + thermo_.high[348].push_back(3.95646504e+03); + thermo_.high[348].push_back(-1.44540610e+02); + thermo_.low[348].push_back(-1.09331575e+01); + thermo_.low[348].push_back(1.16063513e-01); + thermo_.low[348].push_back(-8.35724273e-05); + thermo_.low[348].push_back(2.89850559e-08); + thermo_.low[348].push_back(-3.91180364e-12); + thermo_.low[348].push_back(1.84198119e+04); + thermo_.low[348].push_back(7.29000859e+01); +} + +{ + thermo_.name[349] = "RTETRAOO"; + thermo_.high[349].push_back(5.34619031e+01); + thermo_.high[349].push_back(-7.89283132e-03); + thermo_.high[349].push_back(1.09697206e-05); + thermo_.high[349].push_back(-3.89489830e-09); + thermo_.high[349].push_back(4.38586293e-13); + thermo_.high[349].push_back(-1.76924159e+04); + thermo_.high[349].push_back(-2.71823424e+02); + thermo_.low[349].push_back(-1.36343924e+01); + thermo_.low[349].push_back(1.41210048e-01); + thermo_.low[349].push_back(-1.13282678e-04); + thermo_.low[349].push_back(4.21245088e-08); + thermo_.low[349].push_back(-5.95299802e-12); + thermo_.low[349].push_back(6.46225047e+03); + thermo_.low[349].push_back(9.13157248e+01); +} + +{ + thermo_.name[350] = "TMBENZ"; + thermo_.high[350].push_back(1.47576861e+01); + thermo_.high[350].push_back(4.50315825e-02); + thermo_.high[350].push_back(-1.97554195e-05); + thermo_.high[350].push_back(4.21197817e-09); + thermo_.high[350].push_back(-3.57314917e-13); + thermo_.high[350].push_back(-1.09025839e+04); + thermo_.high[350].push_back(-5.35378398e+01); + thermo_.low[350].push_back(-2.75522789e+00); + thermo_.low[350].push_back(8.39491691e-02); + thermo_.low[350].push_back(-5.21867417e-05); + thermo_.low[350].push_back(1.62235790e-08); + thermo_.low[350].push_back(-2.02559281e-12); + thermo_.low[350].push_back(-4.59793488e+03); + thermo_.low[350].push_back(4.12457040e+01); +} + +{ + thermo_.name[351] = "NPBENZ"; + thermo_.high[351].push_back(1.88963371e+01); + thermo_.high[351].push_back(3.80090295e-02); + thermo_.high[351].push_back(-1.52789389e-05); + thermo_.high[351].push_back(2.95630099e-09); + thermo_.high[351].push_back(-2.27699217e-13); + thermo_.high[351].push_back(-8.96605283e+03); + thermo_.high[351].push_back(-7.62711275e+01); + thermo_.low[351].push_back(-5.58650157e+00); + thermo_.low[351].push_back(9.92161261e-02); + thermo_.low[351].push_back(-7.26605920e-05); + thermo_.low[351].push_back(2.68653231e-08); + thermo_.low[351].push_back(-3.96348393e-12); + thermo_.low[351].push_back(-1.13154446e+03); + thermo_.low[351].push_back(5.33514397e+01); +} + +{ + thermo_.name[352] = "RC9H11"; + thermo_.high[352].push_back(1.94777671e+01); + thermo_.high[352].push_back(3.52558917e-02); + thermo_.high[352].push_back(-1.42493230e-05); + thermo_.high[352].push_back(2.76058348e-09); + thermo_.high[352].push_back(-2.13045169e-13); + thermo_.high[352].push_back(6.10938819e+03); + thermo_.high[352].push_back(-7.94713741e+01); + thermo_.low[352].push_back(-1.83523003e+00); + thermo_.low[352].push_back(8.26181075e-02); + thermo_.low[352].push_back(-5.37178363e-05); + thermo_.low[352].push_back(1.73785513e-08); + thermo_.low[352].push_back(-2.24331848e-12); + thermo_.low[352].push_back(1.37820672e+04); + thermo_.low[352].push_back(3.58790126e+01); +} + +{ + thermo_.name[353] = "C6H5OCH3"; + thermo_.high[353].push_back(1.25085136e+01); + thermo_.high[353].push_back(3.49906122e-02); + thermo_.high[353].push_back(-1.63096082e-05); + thermo_.high[353].push_back(3.64836832e-09); + thermo_.high[353].push_back(-3.19988393e-13); + thermo_.high[353].push_back(-1.52038795e+04); + thermo_.high[353].push_back(-4.20406499e+01); + thermo_.low[353].push_back(-5.29461551e+00); + thermo_.low[353].push_back(8.65938851e-02); + thermo_.low[353].push_back(-7.24001222e-05); + thermo_.low[353].push_back(3.07452350e-08); + thermo_.low[353].push_back(-5.22884105e-12); + thermo_.low[353].push_back(-1.02902159e+04); + thermo_.low[353].push_back(4.95832512e+01); +} + +{ + thermo_.name[354] = "MB"; + thermo_.high[354].push_back(1.24284224e+01); + thermo_.high[354].push_back(3.57133446e-02); + thermo_.high[354].push_back(-1.61592883e-05); + thermo_.high[354].push_back(3.52094113e-09); + thermo_.high[354].push_back(-3.02693515e-13); + thermo_.high[354].push_back(-6.07702348e+04); + thermo_.high[354].push_back(-3.65220690e+01); + thermo_.low[354].push_back(2.77831320e+00); + thermo_.low[354].push_back(5.71580318e-02); + thermo_.low[354].push_back(-3.40298609e-05); + thermo_.low[354].push_back(1.01396717e-08); + thermo_.low[354].push_back(-1.22196165e-12); + thermo_.low[354].push_back(-5.72961955e+04); + thermo_.low[354].push_back(1.57063351e+01); +} + +{ + thermo_.name[355] = "RMBX"; + thermo_.high[355].push_back(1.54924702e+01); + thermo_.high[355].push_back(2.80794103e-02); + thermo_.high[355].push_back(-1.20573254e-05); + thermo_.high[355].push_back(2.49322401e-09); + thermo_.high[355].push_back(-2.04812728e-13); + thermo_.high[355].push_back(-3.97201864e+04); + thermo_.high[355].push_back(-5.41810445e+01); + thermo_.low[355].push_back(2.13573311e+00); + thermo_.low[355].push_back(5.77610483e-02); + thermo_.low[355].push_back(-3.67920237e-05); + thermo_.low[355].push_back(1.16542234e-08); + thermo_.low[355].push_back(-1.47717375e-12); + thermo_.low[355].push_back(-3.49117610e+04); + thermo_.low[355].push_back(1.81084031e+01); +} + +{ + thermo_.name[356] = "MCROT"; + thermo_.high[356].push_back(1.13738847e+01); + thermo_.high[356].push_back(2.61318034e-02); + thermo_.high[356].push_back(-8.74855171e-06); + thermo_.high[356].push_back(1.35831508e-09); + thermo_.high[356].push_back(-8.00175020e-14); + thermo_.high[356].push_back(-4.63062146e+04); + thermo_.high[356].push_back(-2.54801461e+01); + thermo_.low[356].push_back(2.72064727e-01); + thermo_.low[356].push_back(6.10981657e-02); + thermo_.low[356].push_back(-5.00474047e-05); + thermo_.low[356].push_back(2.30375030e-08); + thermo_.low[356].push_back(-4.34757418e-12); + thermo_.low[356].push_back(-4.34863523e+04); + thermo_.low[356].push_back(3.07332406e+01); +} + +{ + thermo_.name[357] = "MACRIL"; + thermo_.high[357].push_back(9.14034166e+00); + thermo_.high[357].push_back(2.10870489e-02); + thermo_.high[357].push_back(-7.42259222e-06); + thermo_.high[357].push_back(1.25044332e-09); + thermo_.high[357].push_back(-8.33064060e-14); + thermo_.high[357].push_back(-4.12827789e+04); + thermo_.high[357].push_back(-1.50267978e+01); + thermo_.low[357].push_back(-1.13135763e+00); + thermo_.low[357].push_back(5.81021815e-02); + thermo_.low[357].push_back(-5.74430417e-05); + thermo_.low[357].push_back(3.12927553e-08); + thermo_.low[357].push_back(-6.84959289e-12); + thermo_.low[357].push_back(-3.90024617e+04); + thermo_.low[357].push_back(3.56001684e+01); +} + +{ + thermo_.name[358] = "RMP3"; + thermo_.high[358].push_back(9.46731146e+00); + thermo_.high[358].push_back(2.78903391e-02); + thermo_.high[358].push_back(-1.31079861e-05); + thermo_.high[358].push_back(2.94998316e-09); + thermo_.high[358].push_back(-2.60075548e-13); + thermo_.high[358].push_back(-3.18264551e+04); + thermo_.high[358].push_back(-1.93081295e+01); + thermo_.low[358].push_back(3.67472870e+00); + thermo_.low[358].push_back(4.07627453e-02); + thermo_.low[358].push_back(-2.38349912e-05); + thermo_.low[358].push_back(6.92294802e-09); + thermo_.low[358].push_back(-8.11876222e-13); + thermo_.low[358].push_back(-2.97411253e+04); + thermo_.low[358].push_back(1.20425368e+01); +} + +{ + thermo_.name[359] = "CH3OCO"; + thermo_.high[359].push_back(2.57527318e+00); + thermo_.high[359].push_back(2.11166692e-02); + thermo_.high[359].push_back(-1.20149822e-05); + thermo_.high[359].push_back(3.14849390e-09); + thermo_.high[359].push_back(-3.11411020e-13); + thermo_.high[359].push_back(-2.07085510e+04); + thermo_.high[359].push_back(1.59117693e+01); + thermo_.low[359].push_back(4.66126893e+00); + thermo_.low[359].push_back(9.68655554e-03); + thermo_.low[359].push_back(1.14715528e-05); + thermo_.low[359].push_back(-1.83003965e-08); + thermo_.low[359].push_back(7.03409939e-12); + thermo_.low[359].push_back(-2.10131064e+04); + thermo_.low[359].push_back(6.50453092e+00); +} + +{ + thermo_.name[360] = "ETMB583"; + thermo_.high[360].push_back(1.75630365e+01); + thermo_.high[360].push_back(2.35383857e-02); + thermo_.high[360].push_back(-7.56913166e-06); + thermo_.high[360].push_back(1.05837457e-09); + thermo_.high[360].push_back(-4.95698273e-14); + thermo_.high[360].push_back(-6.27369638e+04); + thermo_.high[360].push_back(-6.15054259e+01); + thermo_.low[360].push_back(-4.60165685e+00); + thermo_.low[360].push_back(9.33484435e-02); + thermo_.low[360].push_back(-9.00219559e-05); + thermo_.low[360].push_back(4.43406970e-08); + thermo_.low[360].push_back(-8.56971204e-12); + thermo_.low[360].push_back(-5.71071317e+04); + thermo_.low[360].push_back(5.07241435e+01); +} + +{ + thermo_.name[361] = "KEHYMB"; + thermo_.high[361].push_back(1.28585854e+01); + thermo_.high[361].push_back(3.05267697e-02); + thermo_.high[361].push_back(-1.05263784e-05); + thermo_.high[361].push_back(1.70287735e-09); + thermo_.high[361].push_back(-1.06411281e-13); + thermo_.high[361].push_back(-6.04915273e+04); + thermo_.high[361].push_back(-3.42459469e+01); + thermo_.low[361].push_back(-2.28352158e+00); + thermo_.low[361].push_back(8.10004596e-02); + thermo_.low[361].push_back(-7.36184908e-05); + thermo_.low[361].push_back(3.67540509e-08); + thermo_.low[361].push_back(-7.40873910e-12); + thermo_.low[361].push_back(-5.68574216e+04); + thermo_.low[361].push_back(4.15666988e+01); +} + +{ + thermo_.name[362] = "DIBZFUR"; + thermo_.high[362].push_back(2.49525256e+01); + thermo_.high[362].push_back(3.24730728e-02); + thermo_.high[362].push_back(-1.15459374e-05); + thermo_.high[362].push_back(1.79679054e-09); + thermo_.high[362].push_back(-9.97833662e-14); + thermo_.high[362].push_back(-5.30753651e+03); + thermo_.high[362].push_back(-1.13355893e+02); + thermo_.low[362].push_back(-1.16970901e+01); + thermo_.low[362].push_back(1.36443614e-01); + thermo_.low[362].push_back(-1.22152896e-04); + thermo_.low[362].push_back(5.40932248e-08); + thermo_.low[362].push_back(-9.37220078e-12); + thermo_.low[362].push_back(5.02765510e+03); + thermo_.low[362].push_back(7.60497478e+01); +} + +{ + thermo_.name[363] = "DIFENET"; + thermo_.high[363].push_back(1.71548107e+01); + thermo_.high[363].push_back(5.25374196e-02); + thermo_.high[363].push_back(-2.45657222e-05); + thermo_.high[363].push_back(5.58244776e-09); + thermo_.high[363].push_back(-4.99409896e-13); + thermo_.high[363].push_back(-3.29704394e+03); + thermo_.high[363].push_back(-6.49985669e+01); + thermo_.low[363].push_back(-8.57458099e+00); + thermo_.low[363].push_back(1.24507746e-01); + thermo_.low[363].push_back(-1.00059071e-04); + thermo_.low[363].push_back(4.07774824e-08); + thermo_.low[363].push_back(-6.65238798e-12); + thermo_.low[363].push_back(4.06156207e+03); + thermo_.low[363].push_back(6.83336207e+01); +} + +{ + thermo_.name[364] = "RMBOOX"; + thermo_.high[364].push_back(2.46557066e+01); + thermo_.high[364].push_back(1.60203243e-02); + thermo_.high[364].push_back(-2.33018024e-06); + thermo_.high[364].push_back(-2.09432791e-10); + thermo_.high[364].push_back(5.96256606e-14); + thermo_.high[364].push_back(-5.87318865e+04); + thermo_.high[364].push_back(-9.28197844e+01); + thermo_.low[364].push_back(-3.02577545e+00); + thermo_.low[364].push_back(9.80395304e-02); + thermo_.low[364].push_back(-9.34626315e-05); + thermo_.low[364].push_back(4.47942468e-08); + thermo_.low[364].push_back(-8.27438909e-12); + thermo_.low[364].push_back(-5.12578864e+04); + thermo_.low[364].push_back(4.90347050e+01); +} + +{ + thermo_.name[365] = "QMBOOX"; + thermo_.high[365].push_back(2.46557066e+01); + thermo_.high[365].push_back(1.60203243e-02); + thermo_.high[365].push_back(-2.33018024e-06); + thermo_.high[365].push_back(-2.09432791e-10); + thermo_.high[365].push_back(5.96256606e-14); + thermo_.high[365].push_back(-5.87318865e+04); + thermo_.high[365].push_back(-9.28197844e+01); + thermo_.low[365].push_back(-3.02577545e+00); + thermo_.low[365].push_back(9.80395304e-02); + thermo_.low[365].push_back(-9.34626315e-05); + thermo_.low[365].push_back(4.47942468e-08); + thermo_.low[365].push_back(-8.27438909e-12); + thermo_.low[365].push_back(-5.12578864e+04); + thermo_.low[365].push_back(4.90347050e+01); +} + +{ + thermo_.name[366] = "ZMBOOX"; + thermo_.high[366].push_back(2.94016942e+01); + thermo_.high[366].push_back(1.57346453e-02); + thermo_.high[366].push_back(-2.10565670e-06); + thermo_.high[366].push_back(-2.30310175e-10); + thermo_.high[366].push_back(5.80528651e-14); + thermo_.high[366].push_back(-7.03637113e+04); + thermo_.high[366].push_back(-1.09596841e+02); + thermo_.low[366].push_back(-1.66570869e+00); + thermo_.low[366].push_back(1.10596944e-01); + thermo_.low[366].push_back(-1.10726610e-04); + thermo_.low[366].push_back(5.50475284e-08); + thermo_.low[366].push_back(-1.04911530e-11); + thermo_.low[366].push_back(-6.22240518e+04); + thermo_.low[366].push_back(4.86744607e+01); +} + +{ + thermo_.name[367] = "KHDECA"; + thermo_.high[367].push_back(1.16022418e+01); + thermo_.high[367].push_back(3.57303662e-02); + thermo_.high[367].push_back(-1.34415883e-05); + thermo_.high[367].push_back(2.50437459e-09); + thermo_.high[367].push_back(-1.89510289e-13); + thermo_.high[367].push_back(-3.63821557e+04); + thermo_.high[367].push_back(-4.98532958e+01); + thermo_.low[367].push_back(-8.02402159e+00); + thermo_.low[367].push_back(8.95009509e-02); + thermo_.low[367].push_back(-6.86853396e-05); + thermo_.low[367].push_back(2.77298318e-08); + thermo_.low[367].push_back(-4.50893790e-12); + thermo_.low[367].push_back(-3.06512867e+04); + thermo_.low[367].push_back(5.22593733e+01); +} + +{ + thermo_.name[368] = "QDECOOH"; + thermo_.high[368].push_back(1.72379174e+01); + thermo_.high[368].push_back(3.76978745e-02); + thermo_.high[368].push_back(-1.66331315e-05); + thermo_.high[368].push_back(3.54555182e-09); + thermo_.high[368].push_back(-3.00284988e-13); + thermo_.high[368].push_back(-1.92027471e+04); + thermo_.high[368].push_back(-7.01676462e+01); + thermo_.low[368].push_back(-6.00367537e+00); + thermo_.low[368].push_back(8.93458584e-02); + thermo_.low[368].push_back(-5.96731181e-05); + thermo_.low[368].push_back(1.94862876e-08); + thermo_.low[368].push_back(-2.51427606e-12); + thermo_.low[368].push_back(-1.08357738e+04); + thermo_.low[368].push_back(5.56207021e+01); +} + +{ + thermo_.name[369] = "RDECOO"; + thermo_.high[369].push_back(1.72379174e+01); + thermo_.high[369].push_back(3.76978745e-02); + thermo_.high[369].push_back(-1.66331315e-05); + thermo_.high[369].push_back(3.54555182e-09); + thermo_.high[369].push_back(-3.00284988e-13); + thermo_.high[369].push_back(-1.92027471e+04); + thermo_.high[369].push_back(-7.01676462e+01); + thermo_.low[369].push_back(-6.00367537e+00); + thermo_.low[369].push_back(8.93458584e-02); + thermo_.low[369].push_back(-5.96731181e-05); + thermo_.low[369].push_back(1.94862876e-08); + thermo_.low[369].push_back(-2.51427606e-12); + thermo_.low[369].push_back(-1.08357738e+04); + thermo_.low[369].push_back(5.56207021e+01); +} + +{ + thermo_.name[370] = "ZDECA"; + thermo_.high[370].push_back(1.72379174e+01); + thermo_.high[370].push_back(3.76978745e-02); + thermo_.high[370].push_back(-1.66331315e-05); + thermo_.high[370].push_back(3.54555182e-09); + thermo_.high[370].push_back(-3.00284988e-13); + thermo_.high[370].push_back(-1.92027471e+04); + thermo_.high[370].push_back(-7.01676462e+01); + thermo_.low[370].push_back(-6.00367537e+00); + thermo_.low[370].push_back(8.93458584e-02); + thermo_.low[370].push_back(-5.96731181e-05); + thermo_.low[370].push_back(1.94862876e-08); + thermo_.low[370].push_back(-2.51427606e-12); + thermo_.low[370].push_back(-1.08357738e+04); + thermo_.low[370].push_back(5.56207021e+01); +} + +{ + thermo_.name[371] = "RMCROTA"; + thermo_.high[371].push_back(1.57189282e+01); + thermo_.high[371].push_back(1.69463336e-02); + thermo_.high[371].push_back(-4.46708252e-06); + thermo_.high[371].push_back(5.66631307e-10); + thermo_.high[371].push_back(-2.76621493e-14); + thermo_.high[371].push_back(-3.23219582e+04); + thermo_.high[371].push_back(-4.94508733e+01); + thermo_.low[371].push_back(1.47581476e-01); + thermo_.low[371].push_back(6.05025483e-02); + thermo_.low[371].push_back(-5.01554196e-05); + thermo_.low[371].push_back(2.18665554e-08); + thermo_.low[371].push_back(-3.75142509e-12); + thermo_.low[371].push_back(-2.78685530e+04); + thermo_.low[371].push_back(3.12413465e+01); +} + +{ + thermo_.name[372] = "MD"; + thermo_.high[372].push_back(3.32942906e+01); + thermo_.high[372].push_back(6.02278032e-02); + thermo_.high[372].push_back(-2.43433721e-05); + thermo_.high[372].push_back(4.77523421e-09); + thermo_.high[372].push_back(-3.75629873e-13); + thermo_.high[372].push_back(-8.61538195e+04); + thermo_.high[372].push_back(-1.40508531e+02); + thermo_.low[372].push_back(1.40263274e+00); + thermo_.low[372].push_back(1.31098154e-01); + thermo_.low[372].push_back(-8.34019977e-05); + thermo_.low[372].push_back(2.66487992e-08); + thermo_.low[372].push_back(-3.41362502e-12); + thermo_.low[372].push_back(-7.46728226e+04); + thermo_.low[372].push_back(3.20957740e+01); +} + +{ + thermo_.name[373] = "RMDX"; + thermo_.high[373].push_back(2.51620868e+01); + thermo_.high[373].push_back(7.14154614e-02); + thermo_.high[373].push_back(-3.28250989e-05); + thermo_.high[373].push_back(7.27501997e-09); + thermo_.high[373].push_back(-6.35222696e-13); + thermo_.high[373].push_back(-5.95987259e+04); + thermo_.high[373].push_back(-9.23572595e+01); + thermo_.low[373].push_back(1.85440015e+00); + thermo_.low[373].push_back(1.23210321e-01); + thermo_.low[373].push_back(-7.59874815e-05); + thermo_.low[373].push_back(2.32610876e-08); + thermo_.low[373].push_back(-2.85550987e-12); + thermo_.low[373].push_back(-5.12079587e+04); + thermo_.low[373].push_back(3.37888029e+01); +} + +{ + thermo_.name[374] = "CH3OCHO"; + thermo_.high[374].push_back(2.14769740e+00); + thermo_.high[374].push_back(2.46740524e-02); + thermo_.high[374].push_back(-1.35238094e-05); + thermo_.high[374].push_back(3.44782067e-09); + thermo_.high[374].push_back(-3.34980467e-13); + thermo_.high[374].push_back(-4.40372636e+04); + thermo_.high[374].push_back(1.69024645e+01); + thermo_.low[374].push_back(3.51192337e+00); + thermo_.low[374].push_back(1.68784755e-02); + thermo_.low[374].push_back(3.18099831e-06); + thermo_.low[374].push_back(-1.24615200e-08); + thermo_.low[374].push_back(5.34692693e-12); + thermo_.low[374].push_back(-4.42282552e+04); + thermo_.low[374].push_back(1.08074480e+01); +} + +{ + thermo_.name[375] = "ETEROMD"; + thermo_.high[375].push_back(4.14249213e+01); + thermo_.high[375].push_back(4.51122053e-02); + thermo_.high[375].push_back(-1.56530088e-05); + thermo_.high[375].push_back(2.49214075e-09); + thermo_.high[375].push_back(-1.50324737e-13); + thermo_.high[375].push_back(-8.95581279e+04); + thermo_.high[375].push_back(-1.84296546e+02); + thermo_.low[375].push_back(-1.24327962e-01); + thermo_.low[375].push_back(1.39542317e-01); + thermo_.low[375].push_back(-9.61332178e-05); + thermo_.low[375].push_back(3.29770684e-08); + thermo_.low[375].push_back(-4.48057014e-12); + thermo_.low[375].push_back(-7.49327921e+04); + thermo_.low[375].push_back(3.96429285e+01); +} + +{ + thermo_.name[376] = "MDKETO"; + thermo_.high[376].push_back(2.98411867e+01); + thermo_.high[376].push_back(7.16595718e-02); + thermo_.high[376].push_back(-3.12595573e-05); + thermo_.high[376].push_back(6.71204593e-09); + thermo_.high[376].push_back(-5.73522120e-13); + thermo_.high[376].push_back(-1.08207342e+05); + thermo_.high[376].push_back(-1.07784039e+02); + thermo_.low[376].push_back(3.72296254e+00); + thermo_.low[376].push_back(1.45232034e-01); + thermo_.low[376].push_back(-1.08976947e-04); + thermo_.low[376].push_back(4.31990835e-08); + thermo_.low[376].push_back(-6.99729634e-12); + thermo_.low[376].push_back(-1.00789766e+05); + thermo_.low[376].push_back(2.73798301e+01); +} + +{ + thermo_.name[377] = "C7H15COCHO"; + thermo_.high[377].push_back(3.02050983e+01); + thermo_.high[377].push_back(3.84107591e-02); + thermo_.high[377].push_back(-1.30454122e-05); + thermo_.high[377].push_back(2.02881682e-09); + thermo_.high[377].push_back(-1.19348346e-13); + thermo_.high[377].push_back(-6.67956450e+04); + thermo_.high[377].push_back(-1.25747051e+02); + thermo_.low[377].push_back(3.59041588e-01); + thermo_.low[377].push_back(1.05480549e-01); + thermo_.low[377].push_back(-6.95648985e-05); + thermo_.low[377].push_back(2.31971638e-08); + thermo_.low[377].push_back(-3.09243078e-12); + thermo_.low[377].push_back(-5.61704488e+04); + thermo_.low[377].push_back(3.54525548e+01); +} + +{ + thermo_.name[378] = "RMDOOX"; + thermo_.high[378].push_back(3.96894034e+01); + thermo_.high[378].push_back(5.38225057e-02); + thermo_.high[378].push_back(-2.02775001e-05); + thermo_.high[378].push_back(3.64793874e-09); + thermo_.high[378].push_back(-2.61216335e-13); + thermo_.high[378].push_back(-8.38472341e+04); + thermo_.high[378].push_back(-1.67546736e+02); + thermo_.low[378].push_back(4.70466765e+00); + thermo_.low[378].push_back(1.31566363e-01); + thermo_.low[378].push_back(-8.50640479e-05); + thermo_.low[378].push_back(2.76429564e-08); + thermo_.low[378].push_back(-3.59385768e-12); + thermo_.low[378].push_back(-7.12527292e+04); + thermo_.low[378].push_back(2.17979520e+01); +} + +{ + thermo_.name[379] = "QMDOOH"; + thermo_.high[379].push_back(3.77681786e+01); + thermo_.high[379].push_back(6.05584838e-02); + thermo_.high[379].push_back(-2.66377343e-05); + thermo_.high[379].push_back(5.63139231e-09); + thermo_.high[379].push_back(-4.71383628e-13); + thermo_.high[379].push_back(-7.68263296e+04); + thermo_.high[379].push_back(-1.55143375e+02); + thermo_.low[379].push_back(4.12866858e+00); + thermo_.low[379].push_back(1.35312950e-01); + thermo_.low[379].push_back(-8.89331232e-05); + thermo_.low[379].push_back(2.87037586e-08); + thermo_.low[379].push_back(-3.67587894e-12); + thermo_.low[379].push_back(-6.47161060e+04); + thermo_.low[379].push_back(2.69206708e+01); +} + +{ + thermo_.name[380] = "ZMDOOH"; + thermo_.high[380].push_back(4.89601122e+01); + thermo_.high[380].push_back(4.69646617e-02); + thermo_.high[380].push_back(-1.61477773e-05); + thermo_.high[380].push_back(2.58757356e-09); + thermo_.high[380].push_back(-1.58080023e-13); + thermo_.high[380].push_back(-9.96313675e+04); + thermo_.high[380].push_back(-2.11226530e+02); + thermo_.low[380].push_back(6.91495056e+00); + thermo_.low[380].push_back(1.41448171e-01); + thermo_.low[380].push_back(-9.57687121e-05); + thermo_.low[380].push_back(3.24081484e-08); + thermo_.low[380].push_back(-4.34636300e-12); + thermo_.low[380].push_back(-8.46632899e+04); + thermo_.low[380].push_back(1.58608722e+01); +} + +{ + thermo_.name[381] = "U2ME10"; + thermo_.high[381].push_back(2.36788649e+01); + thermo_.high[381].push_back(6.40632046e-02); + thermo_.high[381].push_back(-2.76021386e-05); + thermo_.high[381].push_back(5.83270375e-09); + thermo_.high[381].push_back(-4.91952687e-13); + thermo_.high[381].push_back(-5.39118596e+04); + thermo_.high[381].push_back(-8.57548642e+01); + thermo_.low[381].push_back(3.22839337e-01); + thermo_.low[381].push_back(1.28941053e-01); + thermo_.low[381].push_back(-9.51832310e-05); + thermo_.low[381].push_back(3.71202465e-08); + thermo_.low[381].push_back(-5.92381775e-12); + thermo_.low[381].push_back(-4.71853243e+04); + thermo_.low[381].push_back(3.54410717e+01); +} + +{ + thermo_.name[382] = "UME10"; + thermo_.high[382].push_back(3.48566736e+01); + thermo_.high[382].push_back(5.08631615e-02); + thermo_.high[382].push_back(-1.90027410e-05); + thermo_.high[382].push_back(3.39432106e-09); + thermo_.high[382].push_back(-2.41664061e-13); + thermo_.high[382].push_back(-7.27334602e+04); + thermo_.high[382].push_back(-1.48477392e+02); + thermo_.low[382].push_back(1.08700033e+00); + thermo_.low[382].push_back(1.25906880e-01); + thermo_.low[382].push_back(-8.15391729e-05); + thermo_.low[382].push_back(2.65559625e-08); + thermo_.low[382].push_back(-3.45855871e-12); + thermo_.low[382].push_back(-6.05763778e+04); + thermo_.low[382].push_back(3.42911241e+01); +} + +{ + thermo_.name[383] = "UME7"; + thermo_.high[383].push_back(2.58473842e+01); + thermo_.high[383].push_back(3.62113327e-02); + thermo_.high[383].push_back(-1.33124030e-05); + thermo_.high[383].push_back(2.32937526e-09); + thermo_.high[383].push_back(-1.61944568e-13); + thermo_.high[383].push_back(-5.91274188e+04); + thermo_.high[383].push_back(-1.03960065e+02); + thermo_.low[383].push_back(2.21977808e+00); + thermo_.low[383].push_back(8.87171241e-02); + thermo_.low[383].push_back(-5.70672292e-05); + thermo_.low[383].push_back(1.85348664e-08); + thermo_.low[383].push_back(-2.41270723e-12); + thermo_.low[383].push_back(-5.06214805e+04); + thermo_.low[383].push_back(2.39174684e+01); +} + +{ + thermo_.name[384] = "C12H22"; + thermo_.high[384].push_back(3.60687856e+01); + thermo_.high[384].push_back(4.93531801e-02); + thermo_.high[384].push_back(-1.68932777e-05); + thermo_.high[384].push_back(2.64866878e-09); + thermo_.high[384].push_back(-1.56934744e-13); + thermo_.high[384].push_back(-2.29291143e+04); + thermo_.high[384].push_back(-1.58689972e+02); + thermo_.low[384].push_back(-2.71855262e+00); + thermo_.low[384].push_back(1.37506222e-01); + thermo_.low[384].push_back(-9.20237107e-05); + thermo_.low[384].push_back(3.11071661e-08); + thermo_.low[384].push_back(-4.19933494e-12); + thermo_.low[384].push_back(-9.27597128e+03); + thermo_.low[384].push_back(5.03635315e+01); +} + +{ + thermo_.name[385] = "DCYC5"; + thermo_.high[385].push_back(2.70110296e+01); + thermo_.high[385].push_back(4.68748172e-02); + thermo_.high[385].push_back(-1.63895490e-05); + thermo_.high[385].push_back(2.62563687e-09); + thermo_.high[385].push_back(-1.59789734e-13); + thermo_.high[385].push_back(-3.79226289e+04); + thermo_.high[385].push_back(-1.35167747e+02); + thermo_.low[385].push_back(-1.45870783e+01); + thermo_.low[385].push_back(1.41956207e-01); + thermo_.low[385].push_back(-9.78878828e-05); + thermo_.low[385].push_back(3.36726212e-08); + thermo_.low[385].push_back(-4.59507321e-12); + thermo_.low[385].push_back(-2.33632912e+04); + thermo_.low[385].push_back(8.87980358e+01); +} + +{ + thermo_.name[386] = "UME16"; + thermo_.high[386].push_back(4.52339702e+01); + thermo_.high[386].push_back(8.65152352e-02); + thermo_.high[386].push_back(-3.05153342e-05); + thermo_.high[386].push_back(4.60674378e-09); + thermo_.high[386].push_back(-2.26752205e-13); + thermo_.high[386].push_back(-9.22046847e+04); + thermo_.high[386].push_back(-1.94026893e+02); + thermo_.low[386].push_back(-6.34895832e+00); + thermo_.low[386].push_back(2.17104928e-01); + thermo_.low[386].push_back(-1.54492890e-04); + thermo_.low[386].push_back(5.69179489e-08); + thermo_.low[386].push_back(-8.50384163e-12); + thermo_.low[386].push_back(-7.59044793e+04); + thermo_.low[386].push_back(7.84262324e+01); +} + +{ + thermo_.name[387] = "ETEROMPA"; + thermo_.high[387].push_back(4.32126695e+01); + thermo_.high[387].push_back(9.17256499e-02); + thermo_.high[387].push_back(-3.02788098e-05); + thermo_.high[387].push_back(4.53882493e-09); + thermo_.high[387].push_back(-2.50045022e-13); + thermo_.high[387].push_back(-1.06117741e+05); + thermo_.high[387].push_back(-1.75617618e+02); + thermo_.low[387].push_back(-8.73011664e+00); + thermo_.low[387].push_back(2.50329577e-01); + thermo_.low[387].push_back(-2.11886360e-04); + thermo_.low[387].push_back(9.69599701e-08); + thermo_.low[387].push_back(-1.78876681e-11); + thermo_.low[387].push_back(-9.25087311e+04); + thermo_.low[387].push_back(8.90022613e+01); +} + +{ + thermo_.name[388] = "MPA"; + thermo_.high[388].push_back(4.76347765e+01); + thermo_.high[388].push_back(8.91363271e-02); + thermo_.high[388].push_back(-3.14080949e-05); + thermo_.high[388].push_back(4.73916072e-09); + thermo_.high[388].push_back(-2.33379401e-13); + thermo_.high[388].push_back(-1.08404908e+05); + thermo_.high[388].push_back(-2.13800451e+02); + thermo_.low[388].push_back(-6.71212905e+00); + thermo_.low[388].push_back(2.27599781e-01); + thermo_.low[388].push_back(-1.63698019e-04); + thermo_.low[388].push_back(6.09132260e-08); + thermo_.low[388].push_back(-9.17829426e-12); + thermo_.low[388].push_back(-9.13399797e+04); + thermo_.low[388].push_back(7.29065166e+01); +} + +{ + thermo_.name[389] = "KHMLIN1"; + thermo_.high[389].push_back(6.18941987e+01); + thermo_.high[389].push_back(8.22994739e-02); + thermo_.high[389].push_back(-3.10180668e-05); + thermo_.high[389].push_back(5.38913026e-09); + thermo_.high[389].push_back(-3.62606874e-13); + thermo_.high[389].push_back(-9.79974660e+04); + thermo_.high[389].push_back(-2.72277500e+02); + thermo_.low[389].push_back(-3.09268744e+00); + thermo_.low[389].push_back(2.36114589e-01); + thermo_.low[389].push_back(-1.67540358e-04); + thermo_.low[389].push_back(5.92440776e-08); + thermo_.low[389].push_back(-8.32931507e-12); + thermo_.low[389].push_back(-7.60318984e+04); + thermo_.low[389].push_back(7.53471329e+01); +} + +{ + thermo_.name[390] = "MLIN1"; + thermo_.high[390].push_back(6.02396272e+01); + thermo_.high[390].push_back(7.58944997e-02); + thermo_.high[390].push_back(-2.57645248e-05); + thermo_.high[390].push_back(3.83449043e-09); + thermo_.high[390].push_back(-2.03418185e-13); + thermo_.high[390].push_back(-7.74468689e+04); + thermo_.high[390].push_back(-2.75096818e+02); + thermo_.low[390].push_back(-2.53501097e+00); + thermo_.low[390].push_back(2.16173021e-01); + thermo_.low[390].push_back(-1.43316358e-04); + thermo_.low[390].push_back(4.76154339e-08); + thermo_.low[390].push_back(-6.31807509e-12); + thermo_.low[390].push_back(-5.49735485e+04); + thermo_.low[390].push_back(6.43028989e+01); +} + +{ + thermo_.name[391] = "MLINO"; + thermo_.high[391].push_back(6.05955674e+01); + thermo_.high[391].push_back(8.00185064e-02); + thermo_.high[391].push_back(-2.72219227e-05); + thermo_.high[391].push_back(4.09057977e-09); + thermo_.high[391].push_back(-2.22036540e-13); + thermo_.high[391].push_back(-9.16175365e+04); + thermo_.high[391].push_back(-2.76065905e+02); + thermo_.low[391].push_back(-1.22142744e+00); + thermo_.low[391].push_back(2.17389606e-01); + thermo_.low[391].push_back(-1.41697839e-04); + thermo_.low[391].push_back(4.64890673e-08); + thermo_.low[391].push_back(-6.11071537e-12); + thermo_.low[391].push_back(-6.93634183e+04); + thermo_.low[391].push_back(5.85005668e+01); +} + +{ + thermo_.name[392] = "MEOLE"; + thermo_.high[392].push_back(5.99431010e+01); + thermo_.high[392].push_back(8.58698597e-02); + thermo_.high[392].push_back(-2.97675970e-05); + thermo_.high[392].push_back(4.64267973e-09); + thermo_.high[392].push_back(-2.70021412e-13); + thermo_.high[392].push_back(-1.05323856e+05); + thermo_.high[392].push_back(-2.71321378e+02); + thermo_.low[392].push_back(-2.40342610e-02); + thermo_.low[392].push_back(2.19130160e-01); + thermo_.low[392].push_back(-1.40817847e-04); + thermo_.low[392].push_back(4.57724021e-08); + thermo_.low[392].push_back(-5.98248285e-12); + thermo_.low[392].push_back(-8.37356873e+04); + thermo_.low[392].push_back(5.32332675e+01); +} + +{ + thermo_.name[393] = "MSTEA"; + thermo_.high[393].push_back(5.57521885e+01); + thermo_.high[393].push_back(9.44092844e-02); + thermo_.high[393].push_back(-3.21197984e-05); + thermo_.high[393].push_back(4.65296638e-09); + thermo_.high[393].push_back(-2.12922185e-13); + thermo_.high[393].push_back(-1.17225837e+05); + thermo_.high[393].push_back(-2.54579461e+02); + thermo_.low[393].push_back(-7.52353560e+00); + thermo_.low[393].push_back(2.53593496e-01); + thermo_.low[393].push_back(-1.82293583e-04); + thermo_.low[393].push_back(6.76189138e-08); + thermo_.low[393].push_back(-1.01132284e-11); + thermo_.low[393].push_back(-9.71041567e+04); + thermo_.low[393].push_back(8.00324369e+01); +} + +{ + thermo_.name[394] = "RUME7"; + thermo_.high[394].push_back(1.85903431e+01); + thermo_.high[394].push_back(4.63199659e-02); + thermo_.high[394].push_back(-2.12076343e-05); + thermo_.high[394].push_back(4.67919597e-09); + thermo_.high[394].push_back(-4.06994657e-13); + thermo_.high[394].push_back(-3.29183962e+04); + thermo_.high[394].push_back(-6.07637830e+01); + thermo_.low[394].push_back(2.66158720e+00); + thermo_.low[394].push_back(8.17172013e-02); + thermo_.low[394].push_back(-5.07053305e-05); + thermo_.low[394].push_back(1.56042686e-08); + thermo_.low[394].push_back(-1.92436586e-12); + thermo_.low[394].push_back(-2.71840440e+04); + thermo_.low[394].push_back(2.54459670e+01); +} + +{ + thermo_.name[395] = "RME7"; + thermo_.high[395].push_back(2.40410392e+01); + thermo_.high[395].push_back(4.26053894e-02); + thermo_.high[395].push_back(-1.71372001e-05); + thermo_.high[395].push_back(3.34440554e-09); + thermo_.high[395].push_back(-2.61909734e-13); + thermo_.high[395].push_back(-4.89929735e+04); + thermo_.high[395].push_back(-9.20931877e+01); + thermo_.low[395].push_back(2.93892065e+00); + thermo_.low[395].push_back(8.94989861e-02); + thermo_.low[395].push_back(-5.62151974e-05); + thermo_.low[395].push_back(1.78177379e-08); + thermo_.low[395].push_back(-2.27209478e-12); + thermo_.low[395].push_back(-4.13962109e+04); + thermo_.low[395].push_back(2.21158799e+01); +} + +{ + thermo_.name[396] = "RUME10"; + thermo_.high[396].push_back(2.35916369e+01); + thermo_.high[396].push_back(6.52041736e-02); + thermo_.high[396].push_back(-2.68467537e-05); + thermo_.high[396].push_back(5.44034955e-09); + thermo_.high[396].push_back(-4.42864735e-13); + thermo_.high[396].push_back(-3.58672705e+04); + thermo_.high[396].push_back(-8.27430018e+01); + thermo_.low[396].push_back(1.64400814e+00); + thermo_.low[396].push_back(1.25749356e-01); + thermo_.low[396].push_back(-8.94797013e-05); + thermo_.low[396].push_back(3.42371070e-08); + thermo_.low[396].push_back(-5.40782293e-12); + thermo_.low[396].push_back(-2.95024582e+04); + thermo_.low[396].push_back(3.12965588e+01); +} + +{ + thermo_.name[397] = "RMPAX"; + thermo_.high[397].push_back(4.65991944e+01); + thermo_.high[397].push_back(8.79958559e-02); + thermo_.high[397].push_back(-3.11818152e-05); + thermo_.high[397].push_back(4.72867036e-09); + thermo_.high[397].push_back(-2.34133930e-13); + thermo_.high[397].push_back(-8.86750528e+04); + thermo_.high[397].push_back(-2.03460488e+02); + thermo_.low[397].push_back(-5.53001427e+00); + thermo_.low[397].push_back(2.20809126e-01); + thermo_.low[397].push_back(-1.58073475e-04); + thermo_.low[397].push_back(5.86104792e-08); + thermo_.low[397].push_back(-8.81403979e-12); + thermo_.low[397].push_back(-7.23064813e+04); + thermo_.low[397].push_back(7.15470253e+01); +} + +{ + thermo_.name[398] = "QMPAOOH"; + thermo_.high[398].push_back(3.77681786e+01); + thermo_.high[398].push_back(6.05584838e-02); + thermo_.high[398].push_back(-2.66377343e-05); + thermo_.high[398].push_back(5.63139231e-09); + thermo_.high[398].push_back(-4.71383628e-13); + thermo_.high[398].push_back(-7.68263296e+04); + thermo_.high[398].push_back(-1.55143375e+02); + thermo_.low[398].push_back(4.12866858e+00); + thermo_.low[398].push_back(1.35312950e-01); + thermo_.low[398].push_back(-8.89331232e-05); + thermo_.low[398].push_back(2.87037586e-08); + thermo_.low[398].push_back(-3.67587894e-12); + thermo_.low[398].push_back(-6.47161060e+04); + thermo_.low[398].push_back(2.69206708e+01); +} + +{ + thermo_.name[399] = "RMPAOOX"; + thermo_.high[399].push_back(3.96894034e+01); + thermo_.high[399].push_back(5.38225057e-02); + thermo_.high[399].push_back(-2.02775001e-05); + thermo_.high[399].push_back(3.64793874e-09); + thermo_.high[399].push_back(-2.61216335e-13); + thermo_.high[399].push_back(-8.38472341e+04); + thermo_.high[399].push_back(-1.67546736e+02); + thermo_.low[399].push_back(4.70466765e+00); + thermo_.low[399].push_back(1.31566363e-01); + thermo_.low[399].push_back(-8.50640479e-05); + thermo_.low[399].push_back(2.76429564e-08); + thermo_.low[399].push_back(-3.59385768e-12); + thermo_.low[399].push_back(-7.12527292e+04); + thermo_.low[399].push_back(2.17979520e+01); +} + +{ + thermo_.name[400] = "ZMPAOOH"; + thermo_.high[400].push_back(4.89601122e+01); + thermo_.high[400].push_back(4.69646617e-02); + thermo_.high[400].push_back(-1.61477773e-05); + thermo_.high[400].push_back(2.58757356e-09); + thermo_.high[400].push_back(-1.58080023e-13); + thermo_.high[400].push_back(-9.96313675e+04); + thermo_.high[400].push_back(-2.11226530e+02); + thermo_.low[400].push_back(6.91495056e+00); + thermo_.low[400].push_back(1.41448171e-01); + thermo_.low[400].push_back(-9.57687121e-05); + thermo_.low[400].push_back(3.24081484e-08); + thermo_.low[400].push_back(-4.34636300e-12); + thermo_.low[400].push_back(-8.46632899e+04); + thermo_.low[400].push_back(1.58608722e+01); +} + +{ + thermo_.name[401] = "RMLIN1A"; + thermo_.high[401].push_back(5.95150691e+01); + thermo_.high[401].push_back(7.42461115e-02); + thermo_.high[401].push_back(-2.53824843e-05); + thermo_.high[401].push_back(3.82833735e-09); + thermo_.high[401].push_back(-2.08614643e-13); + thermo_.high[401].push_back(-4.82863749e+04); + thermo_.high[401].push_back(-2.69048825e+02); + thermo_.low[401].push_back(-9.12524230e-01); + thermo_.low[401].push_back(2.08529652e-01); + thermo_.low[401].push_back(-1.37285435e-04); + thermo_.low[401].push_back(4.52738746e-08); + thermo_.low[401].push_back(-5.96493926e-12); + thermo_.low[401].push_back(-2.65324413e+04); + thermo_.low[401].push_back(5.79979154e+01); +} + +{ + thermo_.name[402] = "RMLIN1X"; + thermo_.high[402].push_back(5.95150691e+01); + thermo_.high[402].push_back(7.42461115e-02); + thermo_.high[402].push_back(-2.53824843e-05); + thermo_.high[402].push_back(3.82833735e-09); + thermo_.high[402].push_back(-2.08614643e-13); + thermo_.high[402].push_back(-4.82863749e+04); + thermo_.high[402].push_back(-2.69048825e+02); + thermo_.low[402].push_back(-9.12524230e-01); + thermo_.low[402].push_back(2.08529652e-01); + thermo_.low[402].push_back(-1.37285435e-04); + thermo_.low[402].push_back(4.52738746e-08); + thermo_.low[402].push_back(-5.96493926e-12); + thermo_.low[402].push_back(-2.65324413e+04); + thermo_.low[402].push_back(5.79979154e+01); +} + +{ + thermo_.name[403] = "RMLIN1OOX"; + thermo_.high[403].push_back(5.48798863e+01); + thermo_.high[403].push_back(9.05843840e-02); + thermo_.high[403].push_back(-3.54321193e-05); + thermo_.high[403].push_back(6.50176029e-09); + thermo_.high[403].push_back(-4.69049023e-13); + thermo_.high[403].push_back(-7.13229393e+04); + thermo_.high[403].push_back(-2.34809039e+02); + thermo_.low[403].push_back(-1.47497564e+00); + thermo_.low[403].push_back(2.27202231e-01); + thermo_.low[403].push_back(-1.59630162e-04); + thermo_.low[403].push_back(5.66827877e-08); + thermo_.low[403].push_back(-8.07223499e-12); + thermo_.low[403].push_back(-5.27258349e+04); + thermo_.low[403].push_back(6.52917158e+01); +} + +{ + thermo_.name[404] = "QMLIN1OOX"; + thermo_.high[404].push_back(5.66825541e+01); + thermo_.high[404].push_back(9.03049166e-02); + thermo_.high[404].push_back(-3.59434818e-05); + thermo_.high[404].push_back(6.72610917e-09); + thermo_.high[404].push_back(-4.95506768e-13); + thermo_.high[404].push_back(-6.74923687e+04); + thermo_.high[404].push_back(-2.44601780e+02); + thermo_.low[404].push_back(-2.71828911e+00); + thermo_.low[404].push_back(2.37884651e-01); + thermo_.low[404].push_back(-1.73440129e-04); + thermo_.low[404].push_back(6.36605386e-08); + thermo_.low[404].push_back(-9.33625668e-12); + thermo_.low[404].push_back(-4.83652972e+04); + thermo_.low[404].push_back(7.02616632e+01); +} + +{ + thermo_.name[405] = "ZMLIN1OOX"; + thermo_.high[405].push_back(6.61920071e+01); + thermo_.high[405].push_back(8.18444133e-02); + thermo_.high[405].push_back(-3.03706056e-05); + thermo_.high[405].push_back(5.17171152e-09); + thermo_.high[405].push_back(-3.39000627e-13); + thermo_.high[405].push_back(-8.83104294e+04); + thermo_.high[405].push_back(-2.93138255e+02); + thermo_.low[405].push_back(7.95447186e-01); + thermo_.low[405].push_back(2.36629171e-01); + thermo_.low[405].push_back(-1.67753526e-04); + thermo_.low[405].push_back(5.93661575e-08); + thermo_.low[405].push_back(-8.35593051e-12); + thermo_.low[405].push_back(-6.62063921e+04); + thermo_.low[405].push_back(5.66777851e+01); +} + +{ + thermo_.name[406] = "RMLINA"; + thermo_.high[406].push_back(5.71954712e+01); + thermo_.high[406].push_back(8.40022248e-02); + thermo_.high[406].push_back(-3.15645422e-05); + thermo_.high[406].push_back(5.64019755e-09); + thermo_.high[406].push_back(-4.00096883e-13); + thermo_.high[406].push_back(-6.69574846e+04); + thermo_.high[406].push_back(-2.54485602e+02); + thermo_.low[406].push_back(-1.30856133e+00); + thermo_.low[406].push_back(2.14011186e-01); + thermo_.low[406].push_back(-1.39905343e-04); + thermo_.low[406].push_back(4.57664202e-08); + thermo_.low[406].push_back(-5.97318336e-12); + thermo_.low[406].push_back(-4.58960329e+04); + thermo_.low[406].push_back(6.21504271e+01); +} + +{ + thermo_.name[407] = "RMLINX"; + thermo_.high[407].push_back(5.71954712e+01); + thermo_.high[407].push_back(8.40022248e-02); + thermo_.high[407].push_back(-3.15645422e-05); + thermo_.high[407].push_back(5.64019755e-09); + thermo_.high[407].push_back(-4.00096883e-13); + thermo_.high[407].push_back(-6.69574846e+04); + thermo_.high[407].push_back(-2.54485602e+02); + thermo_.low[407].push_back(-1.30856133e+00); + thermo_.low[407].push_back(2.14011186e-01); + thermo_.low[407].push_back(-1.39905343e-04); + thermo_.low[407].push_back(4.57664202e-08); + thermo_.low[407].push_back(-5.97318336e-12); + thermo_.low[407].push_back(-4.58960329e+04); + thermo_.low[407].push_back(6.21504271e+01); +} + +{ + thermo_.name[408] = "RMLINOOX"; + thermo_.high[408].push_back(6.32132444e+01); + thermo_.high[408].push_back(8.05239356e-02); + thermo_.high[408].push_back(-2.78197745e-05); + thermo_.high[408].push_back(4.27200724e-09); + thermo_.high[408].push_back(-2.39927804e-13); + thermo_.high[408].push_back(-8.77238917e+04); + thermo_.high[408].push_back(-2.82700411e+02); + thermo_.low[408].push_back(1.99661323e+00); + thermo_.low[408].push_back(2.18089399e-01); + thermo_.low[408].push_back(-1.43745727e-04); + thermo_.low[408].push_back(4.76899669e-08); + thermo_.low[408].push_back(-6.33795584e-12); + thermo_.low[408].push_back(-6.59307710e+04); + thermo_.low[408].push_back(4.79327752e+01); +} + +{ + thermo_.name[409] = "QMLINOOX"; + thermo_.high[409].push_back(6.81309948e+01); + thermo_.high[409].push_back(7.45379902e-02); + thermo_.high[409].push_back(-2.47878007e-05); + thermo_.high[409].push_back(3.55693559e-09); + thermo_.high[409].push_back(-1.75307126e-13); + thermo_.high[409].push_back(-8.29474454e+04); + thermo_.high[409].push_back(-3.08878538e+02); + thermo_.low[409].push_back(1.76458104e-02); + thermo_.low[409].push_back(2.29341056e-01); + thermo_.low[409].push_back(-1.56722232e-04); + thermo_.low[409].push_back(5.35320989e-08); + thermo_.low[409].push_back(-7.27405191e-12); + thermo_.low[409].push_back(-5.89715465e+04); + thermo_.low[409].push_back(5.82344142e+01); +} + +{ + thermo_.name[410] = "ZMLINOOX"; + thermo_.high[410].push_back(6.14087077e+01); + thermo_.high[410].push_back(8.58331824e-02); + thermo_.high[410].push_back(-2.98017595e-05); + thermo_.high[410].push_back(4.63939709e-09); + thermo_.high[410].push_back(-2.65661024e-13); + thermo_.high[410].push_back(-9.65914210e+04); + thermo_.high[410].push_back(-2.81173958e+02); + thermo_.low[410].push_back(1.31186651e+00); + thermo_.low[410].push_back(2.42949107e-01); + thermo_.low[410].push_back(-1.83836980e-04); + thermo_.low[410].push_back(7.17571402e-08); + thermo_.low[410].push_back(-1.12326125e-11); + thermo_.low[410].push_back(-7.82017876e+04); + thermo_.low[410].push_back(3.43158089e+01); +} + +{ + thermo_.name[411] = "RMEOLEA"; + thermo_.high[411].push_back(5.65772245e+01); + thermo_.high[411].push_back(8.98805970e-02); + thermo_.high[411].push_back(-3.42288160e-05); + thermo_.high[411].push_back(6.24735813e-09); + thermo_.high[411].push_back(-4.55216117e-13); + thermo_.high[411].push_back(-8.06885447e+04); + thermo_.high[411].push_back(-2.49965378e+02); + thermo_.low[411].push_back(-1.57106282e-01); + thermo_.low[411].push_back(2.15956888e-01); + thermo_.low[411].push_back(-1.39292391e-04); + thermo_.low[411].push_back(4.51597935e-08); + thermo_.low[411].push_back(-5.85972103e-12); + thermo_.low[411].push_back(-6.02641856e+04); + thermo_.low[411].push_back(5.70926555e+01); +} + +{ + thermo_.name[412] = "RMEOLES"; + thermo_.high[412].push_back(5.65772245e+01); + thermo_.high[412].push_back(8.98805970e-02); + thermo_.high[412].push_back(-3.42288160e-05); + thermo_.high[412].push_back(6.24735813e-09); + thermo_.high[412].push_back(-4.55216117e-13); + thermo_.high[412].push_back(-8.06885447e+04); + thermo_.high[412].push_back(-2.49965378e+02); + thermo_.low[412].push_back(-1.57106282e-01); + thermo_.low[412].push_back(2.15956888e-01); + thermo_.low[412].push_back(-1.39292391e-04); + thermo_.low[412].push_back(4.51597935e-08); + thermo_.low[412].push_back(-5.85972103e-12); + thermo_.low[412].push_back(-6.02641856e+04); + thermo_.low[412].push_back(5.70926555e+01); +} + +{ + thermo_.name[413] = "RMEOLEOOX"; + thermo_.high[413].push_back(5.68288430e+01); + thermo_.high[413].push_back(9.87024571e-02); + thermo_.high[413].push_back(-3.87236246e-05); + thermo_.high[413].push_back(7.19531442e-09); + thermo_.high[413].push_back(-5.31279781e-13); + thermo_.high[413].push_back(-1.23280985e+05); + thermo_.high[413].push_back(-2.44956753e+02); + thermo_.low[413].push_back(2.29713937e+00); + thermo_.low[413].push_back(2.19884021e-01); + thermo_.low[413].push_back(-1.39708261e-04); + thermo_.low[413].push_back(4.45970316e-08); + thermo_.low[413].push_back(-5.72596272e-12); + thermo_.low[413].push_back(-1.03649572e+05); + thermo_.low[413].push_back(5.01802030e+01); +} + +{ + thermo_.name[414] = "QMEOLEOOH"; + thermo_.high[414].push_back(6.66288425e+01); + thermo_.high[414].push_back(8.44466273e-02); + thermo_.high[414].push_back(-2.89700155e-05); + thermo_.high[414].push_back(4.40900507e-09); + thermo_.high[414].push_back(-2.44932292e-13); + thermo_.high[414].push_back(-1.50877986e+05); + thermo_.high[414].push_back(-3.00442019e+02); + thermo_.low[414].push_back(-9.98790182e-01); + thermo_.low[414].push_back(2.34730256e-01); + thermo_.low[414].push_back(-1.54206372e-04); + thermo_.low[414].push_back(5.07928409e-08); + thermo_.low[414].push_back(-6.68713172e-12); + thermo_.low[414].push_back(-1.26532038e+05); + thermo_.low[414].push_back(6.55728373e+01); +} + +{ + thermo_.name[415] = "ZMEOLEOOX"; + thermo_.high[415].push_back(5.74950108e+01); + thermo_.high[415].push_back(9.92606422e-02); + thermo_.high[415].push_back(-3.35004082e-05); + thermo_.high[415].push_back(5.08063679e-09); + thermo_.high[415].push_back(-2.82240300e-13); + thermo_.high[415].push_back(-1.09648465e+05); + thermo_.high[415].push_back(-2.38315353e+02); + thermo_.low[415].push_back(2.38451828e+00); + thermo_.low[415].push_back(2.42404779e-01); + thermo_.low[415].push_back(-1.72926515e-04); + thermo_.low[415].push_back(6.54382588e-08); + thermo_.low[415].push_back(-1.00805556e-11); + thermo_.low[415].push_back(-9.26744334e+04); + thermo_.low[415].push_back(5.13566583e+01); +} + +{ + thermo_.name[416] = "RSTEAX"; + thermo_.high[416].push_back(5.46335802e+01); + thermo_.high[416].push_back(9.34230719e-02); + thermo_.high[416].push_back(-3.19964312e-05); + thermo_.high[416].push_back(4.67181818e-09); + thermo_.high[416].push_back(-2.16706943e-13); + thermo_.high[416].push_back(-9.74617261e+04); + thermo_.high[416].push_back(-2.43777088e+02); + thermo_.low[416].push_back(-6.34709308e+00); + thermo_.low[416].push_back(2.46833571e-01); + thermo_.low[416].push_back(-1.76723317e-04); + thermo_.low[416].push_back(6.53539506e-08); + thermo_.low[416].push_back(-9.75792273e-12); + thermo_.low[416].push_back(-7.80698720e+04); + thermo_.low[416].push_back(7.86982236e+01); +} + +{ + thermo_.name[417] = "RMSTEAOOX"; + thermo_.high[417].push_back(-1.20700825e+02); + thermo_.high[417].push_back(5.67736647e-01); + thermo_.high[417].push_back(-4.52750605e-04); + thermo_.high[417].push_back(1.47317719e-07); + thermo_.high[417].push_back(-1.67528750e-11); + thermo_.high[417].push_back(1.02039730e+04); + thermo_.high[417].push_back(6.60024010e+02); + thermo_.low[417].push_back(1.91170969e+01); + thermo_.low[417].push_back(1.20319297e-01); + thermo_.low[417].push_back(8.41502162e-05); + thermo_.low[417].push_back(-1.39029386e-07); + thermo_.low[417].push_back(4.05165459e-11); + thermo_.low[417].push_back(-2.47505076e+04); + thermo_.low[417].push_back(-4.57161098e+01); +} + +{ + thermo_.name[418] = "QMSTEAOOH"; + thermo_.high[418].push_back(-1.30612117e+02); + thermo_.high[418].push_back(6.00365422e-01); + thermo_.high[418].push_back(-4.85197519e-04); + thermo_.high[418].push_back(1.58690698e-07); + thermo_.high[418].push_back(-1.80918283e-11); + thermo_.high[418].push_back(1.24045727e+04); + thermo_.high[418].push_back(7.12083761e+02); + thermo_.low[418].push_back(2.15554530e+01); + thermo_.low[418].push_back(1.05511535e-01); + thermo_.low[418].push_back(1.18282831e-04); + thermo_.low[418].push_back(-1.68398923e-07); + thermo_.low[418].push_back(4.83898018e-11); + thermo_.low[418].push_back(-2.50286496e+04); + thermo_.low[418].push_back(-5.35376470e+01); +} + +{ + thermo_.name[419] = "ZMSTEAOOH"; + thermo_.high[419].push_back(-6.22995292e+01); + thermo_.high[419].push_back(3.41575945e-01); + thermo_.high[419].push_back(-2.69706994e-04); + thermo_.high[419].push_back(8.71969173e-08); + thermo_.high[419].push_back(-9.87435445e-12); + thermo_.high[419].push_back(1.57160052e+04); + thermo_.high[419].push_back(3.57020399e+02); + thermo_.low[419].push_back(1.61954271e+01); + thermo_.low[419].push_back(9.03920846e-02); + thermo_.low[419].push_back(3.17136382e-05); + thermo_.low[419].push_back(-7.35607531e-08); + thermo_.low[419].push_back(2.22771796e-11); + thermo_.low[419].push_back(-3.90773390e+03); + thermo_.low[419].push_back(-3.91880337e+01); +} + +{ + thermo_.name[420] = "U2ME12"; + thermo_.high[420].push_back(3.12799449e+01); + thermo_.high[420].push_back(7.15415882e-02); + thermo_.high[420].push_back(-3.01181538e-05); + thermo_.high[420].push_back(6.08643201e-09); + thermo_.high[420].push_back(-4.87334868e-13); + thermo_.high[420].push_back(-6.28268100e+04); + thermo_.high[420].push_back(-1.24478592e+02); + thermo_.low[420].push_back(1.12650720e+00); + thermo_.low[420].push_back(1.46456961e-01); + thermo_.low[420].push_back(-9.99150853e-05); + thermo_.low[420].push_back(3.49878529e-08); + thermo_.low[420].push_back(-4.97513315e-12); + thermo_.low[420].push_back(-5.31174030e+04); + thermo_.low[420].push_back(3.53544123e+01); +} + +{ + thermo_.name[421] = "ALDEST"; + thermo_.high[421].push_back(1.79608805e+01); + thermo_.high[421].push_back(3.27577303e-02); + thermo_.high[421].push_back(-1.29904809e-05); + thermo_.high[421].push_back(2.50013680e-09); + thermo_.high[421].push_back(-1.93431386e-13); + thermo_.high[421].push_back(-7.48983193e+04); + thermo_.high[421].push_back(-5.99171462e+01); + thermo_.low[421].push_back(5.24137808e+00); + thermo_.low[421].push_back(6.10232913e-02); + thermo_.low[421].push_back(-3.65451150e-05); + thermo_.low[421].push_back(1.12240754e-08); + thermo_.low[421].push_back(-1.40508952e-12); + thermo_.low[421].push_back(-7.03192984e+04); + thermo_.low[421].push_back(8.92345431e+00); +} + +{ + thermo_.name[422] = "RALDEST"; + thermo_.high[422].push_back(1.17688624e+01); + thermo_.high[422].push_back(4.16586310e-02); + thermo_.high[422].push_back(-2.02330626e-05); + thermo_.high[422].push_back(4.68126751e-09); + thermo_.high[422].push_back(-4.21941087e-13); + thermo_.high[422].push_back(-4.91007178e+04); + thermo_.high[422].push_back(-2.27507735e+01); + thermo_.low[422].push_back(5.76645054e+00); + thermo_.low[422].push_back(5.49973240e-02); + thermo_.low[422].push_back(-3.13486401e-05); + thermo_.low[422].push_back(8.79814806e-09); + thermo_.low[422].push_back(-9.93730052e-13); + thermo_.low[422].push_back(-4.69398496e+04); + thermo_.low[422].push_back(9.73553160e+00); +} + +{ + thermo_.name[423] = "C12H18"; + thermo_.high[423].push_back(8.44295858e+01); + thermo_.high[423].push_back(4.93170400e-02); + thermo_.high[423].push_back(-2.86268350e-05); + thermo_.high[423].push_back(8.86979917e-09); + thermo_.high[423].push_back(-1.00373619e-12); + thermo_.high[423].push_back(-8.94265291e+04); + thermo_.high[423].push_back(-4.12065762e+02); + thermo_.low[423].push_back(-1.18024916e+01); + thermo_.low[423].push_back(2.63166101e-01); + thermo_.low[423].push_back(-2.06834386e-04); + thermo_.low[423].push_back(7.48725957e-08); + thermo_.low[423].push_back(-1.01707913e-11); + thermo_.low[423].push_back(-5.47829813e+04); + thermo_.low[423].push_back(1.08762316e+02); +} + +{ + thermo_.name[424] = "RODECA"; + thermo_.high[424].push_back(2.85620333e+01); + thermo_.high[424].push_back(4.11366392e-02); + thermo_.high[424].push_back(-1.36024110e-05); + thermo_.high[424].push_back(2.01592783e-09); + thermo_.high[424].push_back(-1.09376626e-13); + thermo_.high[424].push_back(-1.53025063e+04); + thermo_.high[424].push_back(-1.39641687e+02); + thermo_.low[424].push_back(-1.39601308e+01); + thermo_.low[424].push_back(1.35630337e-01); + thermo_.low[424].push_back(-9.23471594e-05); + thermo_.low[424].push_back(3.11806495e-08); + thermo_.low[424].push_back(-4.16003241e-12); + thermo_.low[424].push_back(5.47278088e+00); + thermo_.low[424].push_back(9.04971362e+01); +} + +{ + thermo_.name[425] = "ALDINS"; + thermo_.high[425].push_back(8.44295858e+01); + thermo_.high[425].push_back(4.93170400e-02); + thermo_.high[425].push_back(-2.86268350e-05); + thermo_.high[425].push_back(8.86979917e-09); + thermo_.high[425].push_back(-1.00373619e-12); + thermo_.high[425].push_back(-8.94265291e+04); + thermo_.high[425].push_back(-4.12065762e+02); + thermo_.low[425].push_back(-1.18024916e+01); + thermo_.low[425].push_back(2.63166101e-01); + thermo_.low[425].push_back(-2.06834386e-04); + thermo_.low[425].push_back(7.48725957e-08); + thermo_.low[425].push_back(-1.01707913e-11); + thermo_.low[425].push_back(-5.47829813e+04); + thermo_.low[425].push_back(1.08762316e+02); +} + +{ + thermo_.name[426] = "RUME16"; + thermo_.high[426].push_back(5.62816009e+01); + thermo_.high[426].push_back(7.14355580e-02); + thermo_.high[426].push_back(-2.43272135e-05); + thermo_.high[426].push_back(3.65699376e-09); + thermo_.high[426].push_back(-1.98260551e-13); + thermo_.high[426].push_back(-7.53409955e+04); + thermo_.high[426].push_back(-2.53924384e+02); + thermo_.low[426].push_back(9.94524607e-01); + thermo_.low[426].push_back(1.94982097e-01); + thermo_.low[426].push_back(-1.27857833e-04); + thermo_.low[426].push_back(4.22158836e-08); + thermo_.low[426].push_back(-5.58358037e-12); + thermo_.low[426].push_back(-5.55482222e+04); + thermo_.low[426].push_back(4.49927995e+01); +} + +{ + thermo_.name[427] = "NC10H19"; + thermo_.high[427].push_back(9.88287390e+00); + thermo_.high[427].push_back(2.86275350e-02); + thermo_.high[427].push_back(-1.23662428e-05); + thermo_.high[427].push_back(2.58308509e-09); + thermo_.high[427].push_back(-2.14520963e-13); + thermo_.high[427].push_back(7.14211639e+03); + thermo_.high[427].push_back(-2.81379758e+01); + thermo_.low[427].push_back(-9.61360661e-01); + thermo_.low[427].push_back(5.27258341e-02); + thermo_.low[427].push_back(-3.24481586e-05); + thermo_.low[427].push_back(1.00208317e-08); + thermo_.low[427].push_back(-1.24754133e-12); + thermo_.low[427].push_back(1.10460408e+04); + thermo_.low[427].push_back(3.05532839e+01); +} + +{ + thermo_.name[428] = "C8H9"; + thermo_.high[428].push_back(2.45973914e+01); + thermo_.high[428].push_back(1.20503967e-02); + thermo_.high[428].push_back(5.66754133e-07); + thermo_.high[428].push_back(-1.10955314e-09); + thermo_.high[428].push_back(1.57308310e-13); + thermo_.high[428].push_back(1.65948730e+04); + thermo_.high[428].push_back(-1.06442126e+02); + thermo_.low[428].push_back(-5.12604623e+00); + thermo_.low[428].push_back(8.77789001e-02); + thermo_.low[428].push_back(-7.17853192e-05); + thermo_.low[428].push_back(2.96131956e-08); + thermo_.low[428].push_back(-4.73484913e-12); + thermo_.low[428].push_back(2.59280324e+04); + thermo_.low[428].push_back(5.03637968e+01); +} + +{ + thermo_.name[429] = "NC7H13OOH"; + thermo_.high[429].push_back(2.73219585e+01); + thermo_.high[429].push_back(3.55870996e-02); + thermo_.high[429].push_back(-1.24650774e-05); + thermo_.high[429].push_back(2.00089265e-09); + thermo_.high[429].push_back(-1.21997682e-13); + thermo_.high[429].push_back(-4.84634178e+04); + thermo_.high[429].push_back(-1.12262056e+02); + thermo_.low[429].push_back(1.16215154e+00); + thermo_.low[429].push_back(9.40447688e-02); + thermo_.low[429].push_back(-6.14519510e-05); + thermo_.low[429].push_back(2.02455383e-08); + thermo_.low[429].push_back(-2.67013255e-12); + thermo_.low[429].push_back(-3.90982069e+04); + thermo_.low[429].push_back(2.91745387e+01); +} + +{ + thermo_.name[430] = "NC7H13"; + thermo_.high[430].push_back(9.88287390e+00); + thermo_.high[430].push_back(2.86275350e-02); + thermo_.high[430].push_back(-1.23662428e-05); + thermo_.high[430].push_back(2.58308509e-09); + thermo_.high[430].push_back(-2.14520963e-13); + thermo_.high[430].push_back(7.14211639e+03); + thermo_.high[430].push_back(-2.81379758e+01); + thermo_.low[430].push_back(-9.61360661e-01); + thermo_.low[430].push_back(5.27258341e-02); + thermo_.low[430].push_back(-3.24481586e-05); + thermo_.low[430].push_back(1.00208317e-08); + thermo_.low[430].push_back(-1.24754133e-12); + thermo_.low[430].push_back(1.10460408e+04); + thermo_.low[430].push_back(3.05532839e+01); +} + +{ + thermo_.name[431] = "LC6H5"; + thermo_.high[431].push_back(1.23076076e+01); + thermo_.high[431].push_back(1.68261952e-02); + thermo_.high[431].push_back(-6.51181371e-06); + thermo_.high[431].push_back(1.21158891e-09); + thermo_.high[431].push_back(-8.99428218e-14); + thermo_.high[431].push_back(5.89425072e+04); + thermo_.high[431].push_back(-3.55373248e+01); + thermo_.low[431].push_back(1.67614175e-01); + thermo_.low[431].push_back(5.94226632e-02); + thermo_.low[431].push_back(-6.25597980e-05); + thermo_.low[431].push_back(3.39881879e-08); + thermo_.low[431].push_back(-7.27779348e-12); + thermo_.low[431].push_back(6.17104257e+04); + thermo_.low[431].push_back(2.46218079e+01); +} + +{ + thermo_.name[432] = "C6H2"; + thermo_.high[432].push_back(1.20007067e+01); + thermo_.high[432].push_back(9.35747205e-03); + thermo_.high[432].push_back(-3.45039279e-06); + thermo_.high[432].push_back(5.96931921e-10); + thermo_.high[432].push_back(-4.08067421e-14); + thermo_.high[432].push_back(8.10797696e+04); + thermo_.high[432].push_back(-3.61630610e+01); + thermo_.low[432].push_back(4.40206371e+00); + thermo_.low[432].push_back(3.69889013e-02); + thermo_.low[432].push_back(-4.11296144e-05); + thermo_.low[432].push_back(2.34328238e-08); + thermo_.low[432].push_back(-5.23078218e-12); + thermo_.low[432].push_back(8.27514710e+04); + thermo_.low[432].push_back(1.22022725e+00); +} + +{ + thermo_.name[433] = "C8H2"; + thermo_.high[433].push_back(1.62719352e+01); + thermo_.high[433].push_back(9.99874492e-03); + thermo_.high[433].push_back(-2.93037080e-06); + thermo_.high[433].push_back(2.89537341e-10); + thermo_.high[433].push_back(2.52405898e-16); + thermo_.high[433].push_back(1.07885460e+05); + thermo_.high[433].push_back(-5.89733614e+01); + thermo_.low[433].push_back(1.87361722e-01); + thermo_.low[433].push_back(7.06952484e-02); + thermo_.low[433].push_back(-8.88216494e-05); + thermo_.low[433].push_back(5.43092094e-08); + thermo_.low[433].push_back(-1.27402363e-11); + thermo_.low[433].push_back(1.11295389e+05); + thermo_.low[433].push_back(1.95626382e+01); +} + +{ + thermo_.name[434] = "C6H3"; + thermo_.high[434].push_back(1.19194523e+01); + thermo_.high[434].push_back(1.16137832e-02); + thermo_.high[434].push_back(-4.19264523e-06); + thermo_.high[434].push_back(6.84693072e-10); + thermo_.high[434].push_back(-4.17887568e-14); + thermo_.high[434].push_back(8.26280760e+04); + thermo_.high[434].push_back(-3.29876543e+01); + thermo_.low[434].push_back(4.46601450e+00); + thermo_.low[434].push_back(3.41999583e-02); + thermo_.low[434].push_back(-2.98587533e-05); + thermo_.low[434].push_back(1.36473739e-08); + thermo_.low[434].push_back(-2.49684195e-12); + thermo_.low[434].push_back(8.45957836e+04); + thermo_.low[434].push_back(5.04018537e+00); +} + +{ + thermo_.name[435] = "C6H4"; + thermo_.high[435].push_back(1.74447675e+01); + thermo_.high[435].push_back(6.21306708e-03); + thermo_.high[435].push_back(-9.80963858e-07); + thermo_.high[435].push_back(8.00594635e-11); + thermo_.high[435].push_back(-2.88320770e-15); + thermo_.high[435].push_back(5.49568894e+04); + thermo_.high[435].push_back(-6.59208082e+01); + thermo_.low[435].push_back(-1.17305610e+00); + thermo_.low[435].push_back(6.09713718e-02); + thermo_.low[435].push_back(-6.13761529e-05); + thermo_.low[435].push_back(2.96855443e-08); + thermo_.low[435].push_back(-5.44506791e-12); + thermo_.low[435].push_back(6.00209374e+04); + thermo_.low[435].push_back(2.96241244e+01); +} + +{ + thermo_.name[436] = "BENZYNE"; + thermo_.high[436].push_back(1.09465819e+01); + thermo_.high[436].push_back(1.50373246e-02); + thermo_.high[436].push_back(-5.27844959e-06); + thermo_.high[436].push_back(8.14607581e-10); + thermo_.high[436].push_back(-4.49073366e-14); + thermo_.high[436].push_back(5.03301418e+04); + thermo_.high[436].push_back(-3.53782934e+01); + thermo_.low[436].push_back(-3.73796173e+00); + thermo_.low[436].push_back(5.69931634e-02); + thermo_.low[436].push_back(-5.02311341e-05); + thermo_.low[436].push_back(2.22206478e-08); + thermo_.low[436].push_back(-3.86741452e-12); + thermo_.low[436].push_back(5.44418140e+04); + thermo_.low[436].push_back(4.04070822e+01); +} + +{ + thermo_.name[437] = "NC10MOOH"; + thermo_.high[437].push_back(2.73219585e+01); + thermo_.high[437].push_back(3.55870996e-02); + thermo_.high[437].push_back(-1.24650774e-05); + thermo_.high[437].push_back(2.00089265e-09); + thermo_.high[437].push_back(-1.21997682e-13); + thermo_.high[437].push_back(-4.84634178e+04); + thermo_.high[437].push_back(-1.12262056e+02); + thermo_.low[437].push_back(1.16215154e+00); + thermo_.low[437].push_back(9.40447688e-02); + thermo_.low[437].push_back(-6.14519510e-05); + thermo_.low[437].push_back(2.02455383e-08); + thermo_.low[437].push_back(-2.67013255e-12); + thermo_.low[437].push_back(-3.90982069e+04); + thermo_.low[437].push_back(2.91745387e+01); +} + +{ + thermo_.name[438] = "MSTEAKETO"; + thermo_.high[438].push_back(6.13348222e+01); + thermo_.high[438].push_back(9.80436966e-02); + thermo_.high[438].push_back(-3.77033724e-05); + thermo_.high[438].push_back(6.80817282e-09); + thermo_.high[438].push_back(-4.83388457e-13); + thermo_.high[438].push_back(-1.42870185e+05); + thermo_.high[438].push_back(-2.70834349e+02); + thermo_.low[438].push_back(-4.17722454e-01); + thermo_.low[438].push_back(2.49583683e-01); + thermo_.low[438].push_back(-1.77157348e-04); + thermo_.low[438].push_back(6.38445637e-08); + thermo_.low[438].push_back(-9.23130116e-12); + thermo_.low[438].push_back(-1.22738855e+05); + thermo_.low[438].push_back(5.72570421e+01); +} + +{ + thermo_.name[439] = "C5H5O"; + thermo_.high[439].push_back(1.05801390e+01); + thermo_.high[439].push_back(2.13128784e-02); + thermo_.high[439].push_back(-9.63052935e-06); + thermo_.high[439].push_back(2.09384798e-09); + thermo_.high[439].push_back(-1.79321204e-13); + thermo_.high[439].push_back(1.62543411e+04); + thermo_.high[439].push_back(-3.26154734e+01); + thermo_.low[439].push_back(-4.01979397e+00); + thermo_.low[439].push_back(6.15885556e-02); + thermo_.low[439].push_back(-5.12950230e-05); + thermo_.low[439].push_back(2.12499370e-08); + thermo_.low[439].push_back(-3.48209517e-12); + thermo_.low[439].push_back(2.04883217e+04); + thermo_.low[439].push_back(4.32455666e+01); +} + +{ + thermo_.name[440] = "C2H2O2"; + thermo_.high[440].push_back(9.83116579e+00); + thermo_.high[440].push_back(4.87360532e-03); + thermo_.high[440].push_back(-1.69443300e-06); + thermo_.high[440].push_back(2.65361078e-10); + thermo_.high[440].push_back(-1.54439841e-14); + thermo_.high[440].push_back(-2.96273239e+04); + thermo_.high[440].push_back(-2.66407027e+01); + thermo_.low[440].push_back(1.89947966e+00); + thermo_.low[440].push_back(2.35363962e-02); + thermo_.low[440].push_back(-1.81616014e-05); + thermo_.low[440].push_back(6.72307419e-09); + thermo_.low[440].push_back(-9.65107677e-13); + thermo_.low[440].push_back(-2.69305506e+04); + thermo_.low[440].push_back(1.58338747e+01); +} + +{ + thermo_.name[441] = "C2H4O2"; + thermo_.high[441].push_back(3.40614010e+00); + thermo_.high[441].push_back(2.02613044e-02); + thermo_.high[441].push_back(-1.03463461e-05); + thermo_.high[441].push_back(2.53497107e-09); + thermo_.high[441].push_back(-2.40436915e-13); + thermo_.high[441].push_back(-3.88060356e+04); + thermo_.high[441].push_back(1.20569218e+01); + thermo_.low[441].push_back(4.64403525e+00); + thermo_.low[441].push_back(1.38306802e-02); + thermo_.low[441].push_back(2.18084389e-06); + thermo_.low[441].push_back(-8.31108086e-09); + thermo_.low[441].push_back(3.28100852e-12); + thermo_.low[441].push_back(-3.89966715e+04); + thermo_.low[441].push_back(6.40833543e+00); +} + +{ + thermo_.name[442] = "GLIET"; + thermo_.high[442].push_back(6.66621468e+00); + thermo_.high[442].push_back(1.87459315e-02); + thermo_.high[442].push_back(-7.66039208e-06); + thermo_.high[442].push_back(1.53874843e-09); + thermo_.high[442].push_back(-1.24203245e-13); + thermo_.high[442].push_back(-4.95959120e+04); + thermo_.high[442].push_back(-6.01671900e+00); + thermo_.low[442].push_back(9.46220545e-01); + thermo_.low[442].push_back(3.43105414e-02); + thermo_.low[442].push_back(-2.35426471e-05); + thermo_.low[442].push_back(8.74158516e-09); + thermo_.low[442].push_back(-1.34917548e-12); + thermo_.low[442].push_back(-4.79142337e+04); + thermo_.low[442].push_back(2.37826449e+01); +} + +{ + thermo_.name[443] = "C3H4O2"; + thermo_.high[443].push_back(1.02920429e+01); + thermo_.high[443].push_back(1.38871300e-02); + thermo_.high[443].push_back(-6.12561993e-06); + thermo_.high[443].push_back(1.30548845e-09); + thermo_.high[443].push_back(-1.09965765e-13); + thermo_.high[443].push_back(-3.57026988e+04); + thermo_.high[443].push_back(-2.69350036e+01); + thermo_.low[443].push_back(1.17378045e-01); + thermo_.low[443].push_back(4.67086294e-02); + thermo_.low[443].push_back(-4.58290467e-05); + thermo_.low[443].push_back(2.26514168e-08); + thermo_.low[443].push_back(-4.41358036e-12); + thermo_.low[443].push_back(-3.31793820e+04); + thermo_.low[443].push_back(2.43405589e+01); +} + +{ + thermo_.name[444] = "C3H4O3"; + thermo_.high[444].push_back(1.37242810e+01); + thermo_.high[444].push_back(1.08811110e-02); + thermo_.high[444].push_back(-3.70124855e-06); + thermo_.high[444].push_back(5.78901440e-10); + thermo_.high[444].push_back(-3.43205818e-14); + thermo_.high[444].push_back(-5.77802807e+04); + thermo_.high[444].push_back(-3.99570073e+01); + thermo_.low[444].push_back(2.17563103e+00); + thermo_.low[444].push_back(3.78954970e-02); + thermo_.low[444].push_back(-2.73980784e-05); + thermo_.low[444].push_back(9.81743159e-09); + thermo_.low[444].push_back(-1.38498288e-12); + thermo_.low[444].push_back(-5.38306424e+04); + thermo_.low[444].push_back(2.19543274e+01); +} + +{ + thermo_.name[445] = "C3H6O2"; + thermo_.high[445].push_back(1.08721654e+01); + thermo_.high[445].push_back(1.63593216e-02); + thermo_.high[445].push_back(-6.08637842e-06); + thermo_.high[445].push_back(1.10130850e-09); + thermo_.high[445].push_back(-8.02911326e-14); + thermo_.high[445].push_back(-4.55272952e+04); + thermo_.high[445].push_back(-2.70748520e+01); + thermo_.low[445].push_back(2.66105929e+00); + thermo_.low[445].push_back(3.46062241e-02); + thermo_.low[445].push_back(-2.12921305e-05); + thermo_.low[445].push_back(6.73306853e-09); + thermo_.low[445].push_back(-8.62480026e-13); + thermo_.low[445].push_back(-4.25712970e+04); + thermo_.low[445].push_back(1.73653673e+01); +} + +{ + thermo_.name[446] = "C4H6O2"; + thermo_.high[446].push_back(7.01919581e+00); + thermo_.high[446].push_back(2.89919962e-02); + thermo_.high[446].push_back(-1.39811163e-05); + thermo_.high[446].push_back(3.22750474e-09); + thermo_.high[446].push_back(-2.90888810e-13); + thermo_.high[446].push_back(-4.36055710e+04); + thermo_.high[446].push_back(-7.47846940e+00); + thermo_.low[446].push_back(9.15158242e-01); + thermo_.low[446].push_back(4.25565241e-02); + thermo_.low[446].push_back(-2.52848896e-05); + thermo_.low[446].push_back(7.41408744e-09); + thermo_.low[446].push_back(-8.72358628e-13); + thermo_.low[446].push_back(-4.14081175e+04); + thermo_.low[446].push_back(2.55578553e+01); +} + +{ + thermo_.name[447] = "C5H4O2"; + thermo_.high[447].push_back(1.05158962e+01); + thermo_.high[447].push_back(2.23224229e-02); + thermo_.high[447].push_back(-1.09267096e-05); + thermo_.high[447].push_back(2.56683236e-09); + thermo_.high[447].push_back(-2.34844997e-13); + thermo_.high[447].push_back(-2.33303219e+04); + thermo_.high[447].push_back(-2.94000374e+01); + thermo_.low[447].push_back(-1.81996644e+00); + thermo_.low[447].push_back(5.68283325e-02); + thermo_.low[447].push_back(-4.71217197e-05); + thermo_.low[447].push_back(1.94409629e-08); + thermo_.low[447].push_back(-3.18486782e-12); + thermo_.low[447].push_back(-1.98022652e+04); + thermo_.low[447].push_back(3.45255921e+01); +} + +{ + thermo_.name[448] = "C5H8O4"; + thermo_.high[448].push_back(1.19601536e+01); + thermo_.high[448].push_back(3.99450843e-02); + thermo_.high[448].push_back(-1.95947373e-05); + thermo_.high[448].push_back(4.60940117e-09); + thermo_.high[448].push_back(-4.22302290e-13); + thermo_.high[448].push_back(-8.26385858e+04); + thermo_.high[448].push_back(-2.91875208e+01); + thermo_.low[448].push_back(-6.95683231e+00); + thermo_.low[448].push_back(1.01463738e-01); + thermo_.low[448].push_back(-9.46174851e-05); + thermo_.low[448].push_back(4.52721371e-08); + thermo_.low[448].push_back(-8.68708602e-12); + thermo_.low[448].push_back(-7.79850073e+04); + thermo_.low[448].push_back(6.59920851e+01); +} + +{ + thermo_.name[449] = "C6H6O3"; + thermo_.high[449].push_back(1.98638073e+01); + thermo_.high[449].push_back(1.79335016e-02); + thermo_.high[449].push_back(-5.95408859e-06); + thermo_.high[449].push_back(8.93593939e-10); + thermo_.high[449].push_back(-4.95459880e-14); + thermo_.high[449].push_back(-4.95264845e+04); + thermo_.high[449].push_back(-7.44496694e+01); + thermo_.low[449].push_back(7.10718582e-01); + thermo_.low[449].push_back(6.12173180e-02); + thermo_.low[449].push_back(-4.26352889e-05); + thermo_.low[449].push_back(1.47094886e-08); + thermo_.low[449].push_back(-2.00094354e-12); + thermo_.low[449].push_back(-4.27462910e+04); + thermo_.low[449].push_back(2.88889342e+01); +} + +{ + thermo_.name[450] = "C6H8O4"; + thermo_.high[450].push_back(1.58073709e+01); + thermo_.high[450].push_back(3.77998882e-02); + thermo_.high[450].push_back(-1.77241312e-05); + thermo_.high[450].push_back(3.97560136e-09); + thermo_.high[450].push_back(-3.49009860e-13); + thermo_.high[450].push_back(-7.78788467e+04); + thermo_.high[450].push_back(-5.15128322e+01); + thermo_.low[450].push_back(-4.55493836e+00); + thermo_.low[450].push_back(1.00453147e-01); + thermo_.low[450].push_back(-9.00163533e-05); + thermo_.low[450].push_back(4.10485358e-08); + thermo_.low[450].push_back(-7.47842033e-12); + thermo_.low[450].push_back(-7.25846463e+04); + thermo_.low[450].push_back(5.20658817e+01); +} + +{ + thermo_.name[451] = "C6H10O5"; + thermo_.high[451].push_back(1.54889718e+01); + thermo_.high[451].push_back(4.96354387e-02); + thermo_.high[451].push_back(-2.45944509e-05); + thermo_.high[451].push_back(5.82332585e-09); + thermo_.high[451].push_back(-5.35665863e-13); + thermo_.high[451].push_back(-1.09180509e+05); + thermo_.high[451].push_back(-4.81819837e+01); + thermo_.low[451].push_back(-7.95116461e+00); + thermo_.low[451].push_back(1.26488345e-01); + thermo_.low[451].push_back(-1.19085729e-04); + thermo_.low[451].push_back(5.74579042e-08); + thermo_.low[451].push_back(-1.11165221e-11); + thermo_.low[451].push_back(-1.03461116e+05); + thermo_.low[451].push_back(6.95642163e+01); +} + +{ + thermo_.name[452] = "C8H10O3"; + thermo_.high[452].push_back(2.98957517e+01); + thermo_.high[452].push_back(4.73870505e-02); + thermo_.high[452].push_back(-2.11603212e-05); + thermo_.high[452].push_back(4.60350399e-09); + thermo_.high[452].push_back(-3.96349099e-13); + thermo_.high[452].push_back(-7.02119467e+04); + thermo_.high[452].push_back(-1.21160681e+02); + thermo_.low[452].push_back(-3.09348688e+00); + thermo_.low[452].push_back(1.50478421e-01); + thermo_.low[452].push_back(-1.41970521e-04); + thermo_.low[452].push_back(6.75254832e-08); + thermo_.low[452].push_back(-1.26857982e-11); + thermo_.low[452].push_back(-6.17667016e+04); + thermo_.low[452].push_back(4.61370519e+01); +} + +{ + thermo_.name[453] = "C9H10O2"; + thermo_.high[453].push_back(2.64048781e+01); + thermo_.high[453].push_back(2.84903123e-02); + thermo_.high[453].push_back(-1.03289369e-05); + thermo_.high[453].push_back(1.78607618e-09); + thermo_.high[453].push_back(-1.22280426e-13); + thermo_.high[453].push_back(-3.71439509e+04); + thermo_.high[453].push_back(-1.10770565e+02); + thermo_.low[453].push_back(-2.04331024e+00); + thermo_.low[453].push_back(9.87327525e-02); + thermo_.low[453].push_back(-7.53682334e-05); + thermo_.low[453].push_back(2.85512188e-08); + thermo_.low[453].push_back(-4.25270367e-12); + thermo_.low[453].push_back(-2.79267379e+04); + thermo_.low[453].push_back(4.01996488e+01); +} + +{ + thermo_.name[454] = "C11H12O4"; + thermo_.high[454].push_back(2.98957517e+01); + thermo_.high[454].push_back(4.73870505e-02); + thermo_.high[454].push_back(-2.11603212e-05); + thermo_.high[454].push_back(4.60350399e-09); + thermo_.high[454].push_back(-3.96349099e-13); + thermo_.high[454].push_back(-7.02119467e+04); + thermo_.high[454].push_back(-1.21160681e+02); + thermo_.low[454].push_back(-3.09348688e+00); + thermo_.low[454].push_back(1.50478421e-01); + thermo_.low[454].push_back(-1.41970521e-04); + thermo_.low[454].push_back(6.75254832e-08); + thermo_.low[454].push_back(-1.26857982e-11); + thermo_.low[454].push_back(-6.17667016e+04); + thermo_.low[454].push_back(4.61370519e+01); +} + +{ + thermo_.name[455] = "C4H3O"; + thermo_.high[455].push_back(8.44125905e+00); + thermo_.high[455].push_back(1.62911136e-02); + thermo_.high[455].push_back(-8.34126436e-06); + thermo_.high[455].push_back(2.01436766e-09); + thermo_.high[455].push_back(-1.87394603e-13); + thermo_.high[455].push_back(1.94535776e+04); + thermo_.high[455].push_back(-2.27855078e+01); + thermo_.low[455].push_back(-5.90872253e+00); + thermo_.low[455].push_back(6.25813767e-02); + thermo_.low[455].push_back(-6.43375505e-05); + thermo_.low[455].push_back(3.21198978e-08); + thermo_.low[455].push_back(-6.25705794e-12); + thermo_.low[455].push_back(2.30123730e+04); + thermo_.low[455].push_back(4.95317026e+01); +} + +{ + thermo_.name[456] = "HCOOH"; + thermo_.high[456].push_back(5.80573302e+00); + thermo_.high[456].push_back(6.82017393e-03); + thermo_.high[456].push_back(-2.95480608e-06); + thermo_.high[456].push_back(6.14340060e-10); + thermo_.high[456].push_back(-5.06753135e-14); + thermo_.high[456].push_back(-4.80534416e+04); + thermo_.high[456].push_back(-6.42993389e+00); + thermo_.low[456].push_back(1.36256505e+00); + thermo_.low[456].push_back(1.66938805e-02); + thermo_.low[456].push_back(-1.11828949e-05); + thermo_.low[456].push_back(3.66178037e-09); + thermo_.low[456].push_back(-4.73930912e-13); + thermo_.low[456].push_back(-4.64539011e+04); + thermo_.low[456].push_back(1.76174180e+01); +} + +{ + thermo_.name[457] = "ACETOL"; + thermo_.high[457].push_back(9.43106557e+00); + thermo_.high[457].push_back(1.86879303e-02); + thermo_.high[457].push_back(-7.29283976e-06); + thermo_.high[457].push_back(1.39932581e-09); + thermo_.high[457].push_back(-1.08736168e-13); + thermo_.high[457].push_back(-4.87389994e+04); + thermo_.high[457].push_back(-2.08360480e+01); + thermo_.low[457].push_back(1.41553145e+00); + thermo_.low[457].push_back(3.65002283e-02); + thermo_.low[457].push_back(-2.21364215e-05); + thermo_.low[457].push_back(6.89694866e-09); + thermo_.low[457].push_back(-8.72294898e-13); + thermo_.low[457].push_back(-4.58534071e+04); + thermo_.low[457].push_back(2.25456947e+01); +} + +{ + thermo_.name[458] = "GLYCEROL"; + thermo_.high[458].push_back(1.14796489e+01); + thermo_.high[458].push_back(2.36292461e-02); + thermo_.high[458].push_back(-8.98384419e-06); + thermo_.high[458].push_back(1.70355137e-09); + thermo_.high[458].push_back(-1.31527258e-13); + thermo_.high[458].push_back(-7.41781076e+04); + thermo_.high[458].push_back(-2.56707288e+01); + thermo_.low[458].push_back(1.97850806e-01); + thermo_.low[458].push_back(5.86115658e-02); + thermo_.low[458].push_back(-4.96609601e-05); + thermo_.low[458].push_back(2.27253167e-08); + thermo_.low[458].push_back(-4.20551279e-12); + thermo_.low[458].push_back(-7.12674037e+04); + thermo_.low[458].push_back(3.16302477e+01); +} + +{ + thermo_.name[459] = "CH2CCHCHO"; + thermo_.high[459].push_back(1.05858550e+01); + thermo_.high[459].push_back(1.29956017e-02); + thermo_.high[459].push_back(-4.76361255e-06); + thermo_.high[459].push_back(7.49449815e-10); + thermo_.high[459].push_back(-3.96847802e-14); + thermo_.high[459].push_back(3.10513348e+03); + thermo_.high[459].push_back(-2.93262371e+01); + thermo_.low[459].push_back(1.05972039e+00); + thermo_.low[459].push_back(3.69607201e-02); + thermo_.low[459].push_back(-2.73722149e-05); + thermo_.low[459].push_back(1.02289476e-08); + thermo_.low[459].push_back(-1.53017186e-12); + thermo_.low[459].push_back(6.13444428e+03); + thermo_.low[459].push_back(2.10494483e+01); +} + +{ + thermo_.name[460] = "KEHYBU1"; + thermo_.high[460].push_back(1.50812003e+01); + thermo_.high[460].push_back(2.99746636e-02); + thermo_.high[460].push_back(-1.37944087e-05); + thermo_.high[460].push_back(3.03171375e-09); + thermo_.high[460].push_back(-2.60935208e-13); + thermo_.high[460].push_back(-6.34178095e+04); + thermo_.high[460].push_back(-4.27051069e+01); + thermo_.low[460].push_back(-4.53521777e+00); + thermo_.low[460].push_back(9.53627237e-02); + thermo_.low[460].push_back(-9.55294839e-05); + thermo_.low[460].push_back(4.84400888e-08); + thermo_.low[460].push_back(-9.72101335e-12); + thermo_.low[460].push_back(-5.87098692e+04); + thermo_.low[460].push_back(5.55092666e+01); +} + +{ + thermo_.name[461] = "RBU1OOX"; + thermo_.high[461].push_back(1.45390319e+01); + thermo_.high[461].push_back(2.69797332e-02); + thermo_.high[461].push_back(-1.09312485e-05); + thermo_.high[461].push_back(2.12602294e-09); + thermo_.high[461].push_back(-1.64284673e-13); + thermo_.high[461].push_back(-3.56893368e+04); + thermo_.high[461].push_back(-4.22613629e+01); + thermo_.low[461].push_back(3.26237571e+00); + thermo_.low[461].push_back(5.39896881e-02); + thermo_.low[461].push_back(-3.51916871e-05); + thermo_.low[461].push_back(1.18108288e-08); + thermo_.low[461].push_back(-1.61410590e-12); + thermo_.low[461].push_back(-3.19229337e+04); + thermo_.low[461].push_back(1.79249204e+01); +} + +{ + thermo_.name[462] = "QBU1OOX"; + thermo_.high[462].push_back(9.44680463e+00); + thermo_.high[462].push_back(1.40890825e-02); + thermo_.high[462].push_back(-6.70668585e-06); + thermo_.high[462].push_back(1.51288685e-09); + thermo_.high[462].push_back(-1.32818576e-13); + thermo_.high[462].push_back(1.91332917e+04); + thermo_.high[462].push_back(-2.81812927e+01); + thermo_.low[462].push_back(-5.88861871e+00); + thermo_.low[462].push_back(6.23896285e-02); + thermo_.low[462].push_back(-6.37545748e-05); + thermo_.low[462].push_back(3.14592852e-08); + thermo_.low[462].push_back(-6.02777889e-12); + thermo_.low[462].push_back(2.30284892e+04); + thermo_.low[462].push_back(4.94686856e+01); +} + +{ + thermo_.name[463] = "ZBU1OOX"; + thermo_.high[463].push_back(1.71509971e+01); + thermo_.high[463].push_back(3.21642995e-02); + thermo_.high[463].push_back(-1.45265250e-05); + thermo_.high[463].push_back(3.16055984e-09); + thermo_.high[463].push_back(-2.71089893e-13); + thermo_.high[463].push_back(-4.87167967e+04); + thermo_.high[463].push_back(-4.94521678e+01); + thermo_.low[463].push_back(4.90929016e+00); + thermo_.low[463].push_back(6.68925461e-02); + thermo_.low[463].push_back(-5.14714682e-05); + thermo_.low[463].push_back(2.06286181e-08); + thermo_.low[463].push_back(-3.36826334e-12); + thermo_.low[463].push_back(-4.52646353e+04); + thermo_.low[463].push_back(1.38131161e+01); +} + +{ + thermo_.name[464] = "DMF"; + thermo_.high[464].push_back(1.38889506e+01); + thermo_.high[464].push_back(2.49736923e-02); + thermo_.high[464].push_back(-8.98421021e-06); + thermo_.high[464].push_back(1.42738238e-09); + thermo_.high[464].push_back(-7.97717945e-14); + thermo_.high[464].push_back(-2.20872034e+04); + thermo_.high[464].push_back(-4.94041109e+01); + thermo_.low[464].push_back(-2.31533181e+00); + thermo_.low[464].push_back(6.57391826e-02); + thermo_.low[464].push_back(-4.74422199e-05); + thermo_.low[464].push_back(1.75523340e-08); + thermo_.low[464].push_back(-2.61514155e-12); + thermo_.low[464].push_back(-1.69342416e+04); + thermo_.low[464].push_back(3.62866615e+01); +} + +{ + thermo_.name[465] = "DMF3YL"; + thermo_.high[465].push_back(1.41703395e+01); + thermo_.high[465].push_back(2.18230092e-02); + thermo_.high[465].push_back(-7.69511407e-06); + thermo_.high[465].push_back(1.17891300e-09); + thermo_.high[465].push_back(-6.12376638e-14); + thermo_.high[465].push_back(1.19557792e+04); + thermo_.high[465].push_back(-4.86583489e+01); + thermo_.low[465].push_back(-1.12307984e+00); + thermo_.low[465].push_back(5.95845385e-02); + thermo_.low[465].push_back(-4.26594930e-05); + thermo_.low[465].push_back(1.55675463e-08); + thermo_.low[465].push_back(-2.28170577e-12); + thermo_.low[465].push_back(1.69108471e+04); + thermo_.low[465].push_back(3.25015043e+01); +} + +{ + thermo_.name[466] = "MEFU2"; + thermo_.high[466].push_back(5.16398169e+00); + thermo_.high[466].push_back(3.29529080e-02); + thermo_.high[466].push_back(-1.68209195e-05); + thermo_.high[466].push_back(4.03716052e-09); + thermo_.high[466].push_back(-3.55511369e-13); + thermo_.high[466].push_back(-1.31841670e+04); + thermo_.high[466].push_back(-2.67616710e+00); + thermo_.low[466].push_back(-3.74149804e+00); + thermo_.low[466].push_back(6.12242723e-02); + thermo_.low[466].push_back(-5.04773055e-05); + thermo_.low[466].push_back(2.18447722e-08); + thermo_.low[466].push_back(-3.88876765e-12); + thermo_.low[466].push_back(-1.09399861e+04); + thermo_.low[466].push_back(4.23457855e+01); +} + +{ + thermo_.name[467] = "C4H4O"; + thermo_.high[467].push_back(8.37486466e+00); + thermo_.high[467].push_back(1.95634451e-02); + thermo_.high[467].push_back(-9.90167121e-06); + thermo_.high[467].push_back(2.37694382e-09); + thermo_.high[467].push_back(-2.20517698e-13); + thermo_.high[467].push_back(-9.41817580e+03); + thermo_.high[467].push_back(-2.52053384e+01); + thermo_.low[467].push_back(-7.59507781e+00); + thermo_.low[467].push_back(7.06672610e-02); + thermo_.low[467].push_back(-7.12262503e-05); + thermo_.low[467].push_back(3.50833860e-08); + thermo_.low[467].push_back(-6.76180613e-12); + thermo_.low[467].push_back(-5.42569018e+03); + thermo_.low[467].push_back(5.54039922e+01); +} + +{ + thermo_.name[468] = "ETC3H4O2"; + thermo_.high[468].push_back(1.02920429e+01); + thermo_.high[468].push_back(1.38871300e-02); + thermo_.high[468].push_back(-6.12561993e-06); + thermo_.high[468].push_back(1.30548845e-09); + thermo_.high[468].push_back(-1.09965765e-13); + thermo_.high[468].push_back(-3.57026988e+04); + thermo_.high[468].push_back(-2.69350036e+01); + thermo_.low[468].push_back(1.17378045e-01); + thermo_.low[468].push_back(4.67086294e-02); + thermo_.low[468].push_back(-4.58290467e-05); + thermo_.low[468].push_back(2.26514168e-08); + thermo_.low[468].push_back(-4.41358036e-12); + thermo_.low[468].push_back(-3.31793820e+04); + thermo_.low[468].push_back(2.43405589e+01); +} + +{ + thermo_.name[469] = "KEA3B3"; + thermo_.high[469].push_back(1.56495498e+01); + thermo_.high[469].push_back(1.47904715e-02); + thermo_.high[469].push_back(-6.84032429e-06); + thermo_.high[469].push_back(1.49167145e-09); + thermo_.high[469].push_back(-1.26830372e-13); + thermo_.high[469].push_back(-4.74213138e+04); + thermo_.high[469].push_back(-4.92482738e+01); + thermo_.low[469].push_back(1.41905665e+00); + thermo_.low[469].push_back(5.27384532e-02); + thermo_.low[469].push_back(-4.47883060e-05); + thermo_.low[469].push_back(1.83574411e-08); + thermo_.low[469].push_back(-2.93779198e-12); + thermo_.low[469].push_back(-4.31521659e+04); + thermo_.low[469].push_back(2.51755980e+01); +} + +{ + thermo_.name[470] = "KEA3G2"; + thermo_.high[470].push_back(1.52972938e+01); + thermo_.high[470].push_back(1.47507483e-02); + thermo_.high[470].push_back(-6.65907582e-06); + thermo_.high[470].push_back(1.42291765e-09); + thermo_.high[470].push_back(-1.19027510e-13); + thermo_.high[470].push_back(-5.03228961e+04); + thermo_.high[470].push_back(-4.71892678e+01); + thermo_.low[470].push_back(2.76516864e+00); + thermo_.low[470].push_back(4.73017226e-02); + thermo_.low[470].push_back(-3.83645703e-05); + thermo_.low[470].push_back(1.51482399e-08); + thermo_.low[470].push_back(-2.34716424e-12); + thermo_.low[470].push_back(-4.64630015e+04); + thermo_.low[470].push_back(1.86821429e+01); +} + +{ + thermo_.name[471] = "RALD3G"; + thermo_.high[471].push_back(-2.96412172e+00); + thermo_.high[471].push_back(3.83579385e-02); + thermo_.high[471].push_back(-2.08581719e-05); + thermo_.high[471].push_back(5.12593560e-09); + thermo_.high[471].push_back(-4.77571609e-13); + thermo_.high[471].push_back(1.72028134e+03); + thermo_.high[471].push_back(4.58634919e+01); + thermo_.low[471].push_back(6.34826535e+00); + thermo_.low[471].push_back(6.24625900e-03); + thermo_.low[471].push_back(2.06655517e-05); + thermo_.low[471].push_back(-1.87382733e-08); + thermo_.low[471].push_back(4.66557687e-12); + thermo_.low[471].push_back(-4.40192456e+02); + thermo_.low[471].push_back(-4.45537170e-01); +} + +{ + thermo_.name[472] = "RALD3B"; + thermo_.high[472].push_back(-6.08013768e+00); + thermo_.high[472].push_back(4.60180077e-02); + thermo_.high[472].push_back(-2.61696720e-05); + thermo_.high[472].push_back(6.65382129e-09); + thermo_.high[472].push_back(-6.35305356e-13); + thermo_.high[472].push_back(-2.14966002e+03); + thermo_.high[472].push_back(5.90959839e+01); + thermo_.low[472].push_back(7.04072885e+00); + thermo_.low[472].push_back(-2.01204277e-05); + thermo_.low[472].push_back(3.44068124e-05); + thermo_.low[472].push_back(-2.87710234e-08); + thermo_.low[472].push_back(7.13330094e-12); + thermo_.low[472].push_back(-5.14121758e+03); + thermo_.low[472].push_back(-5.92381683e+00); +} + +{ + thermo_.name[473] = "C3H5CHO"; + thermo_.high[473].push_back(9.36564259e+00); + thermo_.high[473].push_back(1.99394689e-02); + thermo_.high[473].push_back(-8.24714277e-06); + thermo_.high[473].push_back(1.63840913e-09); + thermo_.high[473].push_back(-1.29181894e-13); + thermo_.high[473].push_back(-1.44293663e+04); + thermo_.high[473].push_back(-2.07054000e+01); + thermo_.low[473].push_back(2.40474771e-01); + thermo_.low[473].push_back(4.26106933e-02); + thermo_.low[473].push_back(-2.93694015e-05); + thermo_.low[473].push_back(1.03846860e-08); + thermo_.low[473].push_back(-1.48729943e-12); + thermo_.low[473].push_back(-1.14910622e+04); + thermo_.low[473].push_back(2.76639767e+01); +} + +{ + thermo_.name[474] = "C7DIONE"; + thermo_.high[474].push_back(-7.55853587e-01); + thermo_.high[474].push_back(8.24536116e-02); + thermo_.high[474].push_back(-4.58824665e-05); + thermo_.high[474].push_back(1.18274999e-08); + thermo_.high[474].push_back(-1.15807940e-12); + thermo_.high[474].push_back(-3.67546790e+04); + thermo_.high[474].push_back(2.64722477e+01); + thermo_.low[474].push_back(3.52180397e+00); + thermo_.low[474].push_back(5.80098541e-02); + thermo_.low[474].push_back(6.49701379e-06); + thermo_.low[474].push_back(-3.80577194e-08); + thermo_.low[474].push_back(1.66580704e-11); + thermo_.low[474].push_back(-3.73535510e+04); + thermo_.low[474].push_back(7.36075600e+00); +} + +{ + thermo_.name[475] = "C7KETONE"; + thermo_.high[475].push_back(1.82994273e+01); + thermo_.high[475].push_back(4.14393597e-02); + thermo_.high[475].push_back(-1.71834162e-05); + thermo_.high[475].push_back(3.42714287e-09); + thermo_.high[475].push_back(-2.72037363e-13); + thermo_.high[475].push_back(-4.27848802e+04); + thermo_.high[475].push_back(-6.59785823e+01); + thermo_.low[475].push_back(-2.29236271e-01); + thermo_.low[475].push_back(8.26141675e-02); + thermo_.low[475].push_back(-5.14957561e-05); + thermo_.low[475].push_back(1.61354169e-08); + thermo_.low[475].push_back(-2.03707542e-12); + thermo_.low[475].push_back(-3.61145614e+04); + thermo_.low[475].push_back(3.43024100e+01); +} + +{ + thermo_.name[476] = "CH2OOHCHCHO"; + thermo_.high[476].push_back(1.84816700e+00); + thermo_.high[476].push_back(3.99042619e-02); + thermo_.high[476].push_back(-2.38947704e-05); + thermo_.high[476].push_back(6.48850081e-09); + thermo_.high[476].push_back(-6.57628290e-13); + thermo_.high[476].push_back(-1.48991977e+04); + thermo_.high[476].push_back(2.15340498e+01); + thermo_.low[476].push_back(5.44326670e+00); + thermo_.low[476].push_back(1.93608350e-02); + thermo_.low[476].push_back(2.01268587e-05); + thermo_.low[476].push_back(-3.54368602e-08); + thermo_.low[476].push_back(1.43157149e-11); + thermo_.low[476].push_back(-1.54025117e+04); + thermo_.low[476].push_back(5.47205385e+00); +} + +{ + thermo_.name[477] = "CH2OOCH2CHO"; + thermo_.high[477].push_back(1.06998539e+01); + thermo_.high[477].push_back(2.42793089e-02); + thermo_.high[477].push_back(-1.34097218e-05); + thermo_.high[477].push_back(3.42673974e-09); + thermo_.high[477].push_back(-3.32159552e-13); + thermo_.high[477].push_back(-2.14126656e+04); + thermo_.high[477].push_back(-2.48508794e+01); + thermo_.low[477].push_back(2.93009251e+00); + thermo_.low[477].push_back(4.15454454e-02); + thermo_.low[477].push_back(-2.77981689e-05); + thermo_.low[477].push_back(8.75579421e-09); + thermo_.low[477].push_back(-1.07230601e-12); + thermo_.low[477].push_back(-1.86155515e+04); + thermo_.low[477].push_back(1.72006902e+01); +} + +{ + thermo_.name[478] = "CH2CHOOHCHO"; + thermo_.high[478].push_back(1.09154411e+01); + thermo_.high[478].push_back(2.11069264e-02); + thermo_.high[478].push_back(-1.04347901e-05); + thermo_.high[478].push_back(2.43633157e-09); + thermo_.high[478].push_back(-2.20224944e-13); + thermo_.high[478].push_back(-1.35446352e+04); + thermo_.high[478].push_back(-2.42468452e+01); + thermo_.low[478].push_back(1.81101363e+00); + thermo_.low[478].push_back(4.91205495e-02); + thermo_.low[478].push_back(-4.27582013e-05); + thermo_.low[478].push_back(1.90124399e-08); + thermo_.low[478].push_back(-3.40793808e-12); + thermo_.low[478].push_back(-1.11774841e+04); + thermo_.low[478].push_back(2.20654311e+01); +} + +{ + thermo_.name[479] = "CH3CHOOCHO"; + thermo_.high[479].push_back(1.58771657e+01); + thermo_.high[479].push_back(1.28699615e-02); + thermo_.high[479].push_back(-5.29703385e-06); + thermo_.high[479].push_back(1.04001953e-09); + thermo_.high[479].push_back(-8.12487153e-14); + thermo_.high[479].push_back(-2.38887629e+04); + thermo_.high[479].push_back(-5.44666587e+01); + thermo_.low[479].push_back(3.38301196e+00); + thermo_.low[479].push_back(4.06347476e-02); + thermo_.low[479].push_back(-2.84343556e-05); + thermo_.low[479].push_back(9.60939795e-09); + thermo_.low[479].push_back(-1.27144016e-12); + thermo_.low[479].push_back(-1.93908676e+04); + thermo_.low[479].push_back(1.31543077e+01); +} + +{ + thermo_.name[480] = "CH2OOHCHOOCHO"; + thermo_.high[480].push_back(2.14549192e+01); + thermo_.high[480].push_back(1.08256409e-02); + thermo_.high[480].push_back(-3.75393277e-06); + thermo_.high[480].push_back(5.88014009e-10); + thermo_.high[480].push_back(-3.47282962e-14); + thermo_.high[480].push_back(-3.59900210e+04); + thermo_.high[480].push_back(-7.93559883e+01); + thermo_.low[480].push_back(5.41191662e+00); + thermo_.low[480].push_back(4.64767576e-02); + thermo_.low[480].push_back(-3.34631967e-05); + thermo_.low[480].push_back(1.15914451e-08); + thermo_.low[480].push_back(-1.56298261e-12); + thermo_.low[480].push_back(-3.02145401e+04); + thermo_.low[480].push_back(7.47208818e+00); +} + +{ + thermo_.name[481] = "CH2OOCHOOHCHO"; + thermo_.high[481].push_back(2.14549192e+01); + thermo_.high[481].push_back(1.08256409e-02); + thermo_.high[481].push_back(-3.75393277e-06); + thermo_.high[481].push_back(5.88014009e-10); + thermo_.high[481].push_back(-3.47282962e-14); + thermo_.high[481].push_back(-3.59900210e+04); + thermo_.high[481].push_back(-7.93559883e+01); + thermo_.low[481].push_back(5.41191662e+00); + thermo_.low[481].push_back(4.64767576e-02); + thermo_.low[481].push_back(-3.34631967e-05); + thermo_.low[481].push_back(1.15914451e-08); + thermo_.low[481].push_back(-1.56298261e-12); + thermo_.low[481].push_back(-3.02145401e+04); + thermo_.low[481].push_back(7.47208818e+00); +} + +{ + thermo_.name[482] = "ERC4H8CHO"; + thermo_.high[482].push_back(-3.04813054e-01); + thermo_.high[482].push_back(5.67977502e-02); + thermo_.high[482].push_back(-3.24057642e-05); + thermo_.high[482].push_back(8.50471985e-09); + thermo_.high[482].push_back(-8.41763290e-13); + thermo_.high[482].push_back(-5.21420511e+03); + thermo_.high[482].push_back(3.41933259e+01); + thermo_.low[482].push_back(6.22525332e+00); + thermo_.low[482].push_back(2.19707295e-02); + thermo_.low[482].push_back(3.72482771e-05); + thermo_.low[482].push_back(-5.34099835e-08); + thermo_.low[482].push_back(1.97964712e-11); + thermo_.low[482].push_back(-6.19371507e+03); + thermo_.low[482].push_back(4.56811339e+00); +} + + diff --git a/API/Cpp/transport.H b/API/Cpp/transport.H new file mode 100644 index 00000000..d9ee201d --- /dev/null +++ b/API/Cpp/transport.H @@ -0,0 +1,5351 @@ +/*############################################################################################## +# # +# ############# ############# ############# #### #### # +# # # # # # # # # # # # +# # ##### # # ######### # ##### # # # # # # +# # # # # # # # # # # # # # # # +# # ##### # # # # ##### # # # # # # +# # # # ######### # # # # # # # +# # # # # # # # # # # # +# # ##### # ######### # # ##### # # # # # # +# # # # # # # # # # # # # # # # +# # # # # ######### # # # # # # ######### # # # +# # # # # # # # # # # # # # # # +# #### #### ############# #### #### ############# #### # +# # +# Author: Stefano Rebughini # +# # +################################################################################################ +# # +# License # +# # +# This file is part of ASALI. # +# # +# ASALI is free software: you can redistribute it and/or modify # +# it under the terms of the GNU General Public License as published by # +# the Free Software Foundation, either version 3 of the License, or # +# (at your option) any later version. # +# # +# ASALI is distributed in the hope that it will be useful, # +# but WITHOUT ANY WARRANTY; without even the implied warranty of # +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # +# GNU General Public License for more details. # +# # +# You should have received a copy of the GNU General Public License # +# along with ASALI. If not, see . # +# # +##############################################################################################*/ + +{ + transport_.name.push_back("AC3H4"); + transport_.geometry.push_back(1); + transport_.LJpotential.push_back(252.000); + transport_.LJdiameter.push_back(4.760); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(0.000); + transport_.MW.push_back(40.0648); +} + +{ + transport_.name.push_back("CH3COOH"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(436.000); + transport_.LJdiameter.push_back(3.970); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(2.000); + transport_.MW.push_back(60.0526); +} + +{ + transport_.name.push_back("CH3COCH3"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(411.000); + transport_.LJdiameter.push_back(4.820); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(58.08); +} + +{ + transport_.name.push_back("C2H3CHO"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(443.200); + transport_.LJdiameter.push_back(4.120); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(56.0642); +} + +{ + transport_.name.push_back("C2H5CHO"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(411.000); + transport_.LJdiameter.push_back(4.820); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(58.08); +} + +{ + transport_.name.push_back("C4H9CHO"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(500.000); + transport_.LJdiameter.push_back(5.640); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(86.1338); +} + +{ + transport_.name.push_back("CH2CHCH2"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(316.000); + transport_.LJdiameter.push_back(4.220); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(41.0727); +} + +{ + transport_.name.push_back("CHCHCH3"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(316.000); + transport_.LJdiameter.push_back(4.220); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(41.0727); +} + +{ + transport_.name.push_back("CH2CCH3"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(316.000); + transport_.LJdiameter.push_back(4.220); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(41.0727); +} + +{ + transport_.name.push_back("AR"); + transport_.geometry.push_back(0); + transport_.LJpotential.push_back(136.500); + transport_.LJdiameter.push_back(3.330); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(0.000); + transport_.MW.push_back(39.948); +} + +{ + transport_.name.push_back("C6H5CH2OH"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(622.400); + transport_.LJdiameter.push_back(5.530); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(108.14); +} + +{ + transport_.name.push_back("C6H4O2"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(450.000); + transport_.LJdiameter.push_back(5.500); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(108.097); +} + +{ + transport_.name.push_back("C6H6"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(468.500); + transport_.LJdiameter.push_back(5.230); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(10.30); + transport_.collision.push_back(1.000); + transport_.MW.push_back(78.1136); +} + +{ + transport_.name.push_back("C6H5CHO"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(622.400); + transport_.LJdiameter.push_back(5.530); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(106.124); +} + +{ + transport_.name.push_back("C6H5C2H4C6H5"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(783.800); + transport_.LJdiameter.push_back(6.640); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(182.265); +} + +{ + transport_.name.push_back("NC4H8"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(355.000); + transport_.LJdiameter.push_back(4.650); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(56.1075); +} + +{ + transport_.name.push_back("C4H6"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(357.000); + transport_.LJdiameter.push_back(5.180); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(54.0916); +} + +{ + transport_.name.push_back("C"); + transport_.geometry.push_back(0); + transport_.LJpotential.push_back(71.400); + transport_.LJdiameter.push_back(3.298); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(0.000); + transport_.MW.push_back(12.011); +} + +{ + transport_.name.push_back("C12H8"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(689.800); + transport_.LJdiameter.push_back(6.500); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(152.196); +} + +{ + transport_.name.push_back("C2H"); + transport_.geometry.push_back(1); + transport_.LJpotential.push_back(209.000); + transport_.LJdiameter.push_back(4.100); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(2.500); + transport_.MW.push_back(25.0299); +} + +{ + transport_.name.push_back("C2H2"); + transport_.geometry.push_back(1); + transport_.LJpotential.push_back(209.000); + transport_.LJdiameter.push_back(4.100); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(2.500); + transport_.MW.push_back(26.0379); +} + +{ + transport_.name.push_back("C2H4"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(280.800); + transport_.LJdiameter.push_back(3.971); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.500); + transport_.MW.push_back(28.0538); +} + +{ + transport_.name.push_back("C2H5"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(252.300); + transport_.LJdiameter.push_back(4.302); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.500); + transport_.MW.push_back(29.0617); +} + +{ + transport_.name.push_back("C2H6"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(252.300); + transport_.LJdiameter.push_back(4.302); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.500); + transport_.MW.push_back(30.0696); +} + +{ + transport_.name.push_back("C3H2"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(209.000); + transport_.LJdiameter.push_back(4.100); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(38.0489); +} + +{ + transport_.name.push_back("C3H3"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(252.000); + transport_.LJdiameter.push_back(4.760); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(39.0568); +} + +{ + transport_.name.push_back("C3H6"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(307.800); + transport_.LJdiameter.push_back(4.140); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(42.0806); +} + +{ + transport_.name.push_back("C3H8"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(303.400); + transport_.LJdiameter.push_back(4.810); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(44.0965); +} + +{ + transport_.name.push_back("NC3H7O"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(487.900); + transport_.LJdiameter.push_back(4.820); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(59.088); +} + +{ + transport_.name.push_back("C3H7OOH"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(487.900); + transport_.LJdiameter.push_back(4.820); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(76.0953); +} + +{ + transport_.name.push_back("C4H2"); + transport_.geometry.push_back(1); + transport_.LJpotential.push_back(357.000); + transport_.LJdiameter.push_back(5.180); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(50.0599); +} + +{ + transport_.name.push_back("C4H3"); + transport_.geometry.push_back(1); + transport_.LJpotential.push_back(357.000); + transport_.LJdiameter.push_back(5.180); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(51.0678); +} + +{ + transport_.name.push_back("C4H4"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(357.000); + transport_.LJdiameter.push_back(5.180); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(52.0758); +} + +{ + transport_.name.push_back("C4H5"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(357.000); + transport_.LJdiameter.push_back(5.180); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(53.0837); +} + +{ + transport_.name.push_back("CH2C3H5"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(355.000); + transport_.LJdiameter.push_back(4.650); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(55.0996); +} + +{ + transport_.name.push_back("SC4H7"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(355.000); + transport_.LJdiameter.push_back(4.650); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(55.0996); +} + +{ + transport_.name.push_back("C4H9OOH"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(496.000); + transport_.LJdiameter.push_back(5.200); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(90.1222); +} + +{ + transport_.name.push_back("CYC5H4O"); + transport_.geometry.push_back(2); 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+ transport_.MW.push_back(68.0752); +} + +{ + transport_.name.push_back("ETC3H4O2"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(411.000); + transport_.LJdiameter.push_back(4.820); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(72.0636); +} + +{ + transport_.name.push_back("KEA3B3"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(411.000); + transport_.LJdiameter.push_back(4.820); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(104.062); +} + +{ + transport_.name.push_back("KEA3G2"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(411.000); + transport_.LJdiameter.push_back(4.820); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(104.062); +} + +{ + transport_.name.push_back("RALD3G"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(411.000); + transport_.LJdiameter.push_back(4.820); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(57.0721); +} + +{ + transport_.name.push_back("RALD3B"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(411.000); + transport_.LJdiameter.push_back(4.820); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(57.0721); +} + +{ + transport_.name.push_back("C3H5CHO"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(357.000); + transport_.LJdiameter.push_back(5.180); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(70.091); +} + +{ + transport_.name.push_back("C7DIONE"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(559.980); + transport_.LJdiameter.push_back(6.310); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(128.171); +} + +{ + transport_.name.push_back("C7KETONE"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(559.980); + transport_.LJdiameter.push_back(6.310); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(114.188); +} + +{ + transport_.name.push_back("CH2OOHCHCHO"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(407.800); + transport_.LJdiameter.push_back(4.140); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(89.0709); +} + +{ + transport_.name.push_back("CH2OOCH2CHO"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(407.800); + transport_.LJdiameter.push_back(4.140); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(89.0709); +} + +{ + transport_.name.push_back("CH2CHOOHCHO"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(407.800); + transport_.LJdiameter.push_back(4.140); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(89.0709); +} + +{ + transport_.name.push_back("CH3CHOOCHO"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(407.800); + transport_.LJdiameter.push_back(4.140); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(89.0709); +} + +{ + transport_.name.push_back("CH2OOHCHOOCHO"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(407.800); + transport_.LJdiameter.push_back(4.140); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(121.07); +} + +{ + transport_.name.push_back("CH2OOCHOOHCHO"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(407.800); + transport_.LJdiameter.push_back(4.140); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(121.07); +} + +{ + transport_.name.push_back("ERC4H8CHO"); + transport_.geometry.push_back(2); + transport_.LJpotential.push_back(408.000); + transport_.LJdiameter.push_back(5.200); + transport_.dipole.push_back(0.000); + transport_.polar.push_back(0.000); + transport_.collision.push_back(1.000); + transport_.MW.push_back(85.1259); +} + diff --git a/API/README.md b/API/README.md index ab007e2a..f0d3a651 100644 --- a/API/README.md +++ b/API/README.md @@ -13,6 +13,7 @@ Let's go straight to the point! Asali library can estimate: * Specific heat at constant pressure Asali estimates the transport properties with the standard gas kinetic theory *(Curtiss, Charles F., and Joseph O. Hirschfelder. "Transport properties of multicomponent gas mixtures." The Journal of Chemical Physics 17.6 (1949): 550-555.)*. The thermodynamic properties of each species are based on the NASA parameters and calculated according to the approach proposed by Gordon and McBride *(Gordon, S., and B. J. McBride. "Technical Report SP-273." NASA Special Publication (1971))*. Moreover, thermodynamic properties of the gaseous mixture are estimated by applying the Gibbs theorem. + ## **2. Matlab and Octave version** The [Matlab](https://it.mathworks.com/campaigns/products/trials.html?s_eid=ppc_29775072802&q=matlab) and [Octave](https://www.gnu.org/software/octave/) API can be inlcuded in your code as follow: ```Matlab @@ -29,11 +30,8 @@ p.MoleFraction = [0.1 0.2 0.7]; cp = p.SpeciesMassSpecificHeat; ``` To create the file *database.mat* run the file `database-generator.m` -## **3. Fortran version** -The Fortran API requires the [Lapack libraries](http://www.netlib.org/lapack/) which can be install with the following command: - -`sudo apt-get install liblapack-dev` +## **3. Fortran version** This version can be included in your code as follow: ```fortran !Include library @@ -72,10 +70,6 @@ Example and database generator can be compiled by typing `./compile.sh` To convert the Asali database into Fortran code run `./database-generator` ## **4. C version** -The C API requires the [Lapack libraries](http://www.netlib.org/lapack/) which can be install with the following command: - -`sudo apt-get install liblapack-dev` - This version can be included in your code as follow: ```c //Include library @@ -116,3 +110,46 @@ int main() Example and database generator can be compiled by typing `./compile.sh` To convert the Asali database into C code run `./database-generator` + +## **5. C++ version** +This version can be included in your code as follow: +```cpp +//Include library +#include "Asali.h" + +//Main +int main() +{ + //Create composition using std vectors + std::vector names(3); + std::vector x(3); + + names[0] = "H2"; + names[1] = "O2"; + names[2] = "N2"; + + x[0] = 0.1; + x[1] = 0.2; + x[2] = 1. - x[0] - x[1]; + + //Initialize Asali + ASALI::Asali asali; + + //Set up composition/pressure and temperature + asali.setSpecies(names); + asali.setTemperature(393.15); //K + asali.setPressure(4e05); //Pa + asali.setMoleFraction(x); + + //Properties evaluation + std::vector cp; + std::vector> diff; + + diff = asali.binaryDiffusion(); + cp = asali.speciesMassCp(); + return 0; +} +``` +Example and database generator can be compiled by typing `./compile.sh` + +To convert the Asali database into C++ code run `./database-generator` From d4744f29dcf76f1c257a0039ff37d9f63bd9a1e6 Mon Sep 17 00:00:00 2001 From: srebughini Date: Wed, 6 Jan 2021 18:28:40 +0100 Subject: [PATCH 07/17] Update README.md --- API/README.md | 7 ++----- 1 file changed, 2 insertions(+), 5 deletions(-) diff --git a/API/README.md b/API/README.md index f0d3a651..68c3d8b6 100644 --- a/API/README.md +++ b/API/README.md @@ -142,11 +142,8 @@ int main() asali.setMoleFraction(x); //Properties evaluation - std::vector cp; - std::vector> diff; - - diff = asali.binaryDiffusion(); - cp = asali.speciesMassCp(); + std::vector> diff = asali.binaryDiffusion(); + std::vector cp = asali.speciesMassCp(); return 0; } ``` From 7d0b042079ef2177cd2239fcdd14c05ad2e7a43f Mon Sep 17 00:00:00 2001 From: srebughini Date: Sat, 9 Jan 2021 15:33:02 +0100 Subject: [PATCH 08/17] Add elapsed time comparison for APIs --- .gitignore | 2 + API/elapsedTimeComparison/C-API.c | 101 +++++++++++++++ API/elapsedTimeComparison/Cpp-API.cpp | 101 +++++++++++++++ API/elapsedTimeComparison/Fortran-API.f90 | 105 ++++++++++++++++ API/elapsedTimeComparison/README.md | 13 ++ API/elapsedTimeComparison/run.sh | 145 ++++++++++++++++++++++ 6 files changed, 467 insertions(+) create mode 100644 API/elapsedTimeComparison/C-API.c create mode 100644 API/elapsedTimeComparison/Cpp-API.cpp create mode 100644 API/elapsedTimeComparison/Fortran-API.f90 create mode 100644 API/elapsedTimeComparison/README.md create mode 100755 API/elapsedTimeComparison/run.sh diff --git a/.gitignore b/.gitignore index 81153108..be208a1b 100644 --- a/.gitignore +++ b/.gitignore @@ -9,3 +9,5 @@ API/Cpp/database-generator API/Fortran/example API/Fortran/database-generator API/Fortran/*.mod +API/elapsedTimeComparison/*.mod +API/elapsedTimeComparison/asali-* diff --git a/API/elapsedTimeComparison/C-API.c b/API/elapsedTimeComparison/C-API.c new file mode 100644 index 00000000..f41dbd7f --- /dev/null +++ b/API/elapsedTimeComparison/C-API.c @@ -0,0 +1,101 @@ +/*############################################################################################## +# # +# ############# ############# ############# #### #### # +# # # # # # # # # # # # +# # ##### # # ######### # ##### # # # # # # +# # # # # # # # # # # # # # # # +# # ##### # # # # ##### # # # # # # +# # # # ######### # # # # # # # +# # # # # # # # # # # # +# # ##### # ######### # # ##### # # # # # # +# # # # # # # # # # # # # # # # +# # # # # ######### # # # # # # ######### # # # +# # # # # # # # # # # # # # # # +# #### #### ############# #### #### ############# #### # +# # +# Author: Stefano Rebughini # +# # +################################################################################################ +# # +# License # +# # +# This file is part of ASALI. # +# # +# ASALI is free software: you can redistribute it and/or modify # +# it under the terms of the GNU General Public License as published by # +# the Free Software Foundation, either version 3 of the License, or # +# (at your option) any later version. # +# # +# ASALI is distributed in the hope that it will be useful, # +# but WITHOUT ANY WARRANTY; without even the implied warranty of # +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # +# GNU General Public License for more details. # +# # +# You should have received a copy of the GNU General Public License # +# along with ASALI. If not, see . # +# # +##############################################################################################*/ + +#include "Asali.h" +#include +#include +#include + +int main(int argc, char *argv[]) +{ + char *a = argv[1]; + int N = atoi(a); + + //Set up mixture composition + AsaliVector x,names; + double X[3] = {0.1, 0.2, 0.7}; + empty_vector_of_char(&names,3); + set_vector_element_from_char(&names,0,"H2"); + set_vector_element_from_char(&names,1,"O2"); + set_vector_element_from_char(&names,2,"N2"); + vector_from_double_array(&x,3,X); + + //Initialize variables + Asali asali; + AsaliVector mu,cp,h,s,cond,diff_mix,v,l; + AsaliMatrix diff; + double MWmix, rho, mumix, cpmassmix, cpmolemix, hmassmix, hmolemix, smassmix, smolemix, condmix; + + clock_t tStart = clock(); + for (int i=0;i # +# # +################################################################################################ +# # +# License # +# # +# This file is part of ASALI. # +# # +# ASALI is free software: you can redistribute it and/or modify # +# it under the terms of the GNU General Public License as published by # +# the Free Software Foundation, either version 3 of the License, or # +# (at your option) any later version. # +# # +# ASALI is distributed in the hope that it will be useful, # +# but WITHOUT ANY WARRANTY; without even the implied warranty of # +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # +# GNU General Public License for more details. # +# # +# You should have received a copy of the GNU General Public License # +# along with ASALI. If not, see . # +# # +##############################################################################################*/ + +#include "Asali.h" +#include +#include +#include + +int main(int argc, char** argv) +{ + int N = atoi(argv[1]); + + //Set up mixture composition + std::vector names(3); + std::vector x(3); + + names[0] = "H2"; + names[1] = "O2"; + names[2] = "N2"; + + x[0] = 0.1; + x[1] = 0.2; + x[2] = 1. - x[0] - x[1]; + + //Initialize variables + ASALI::Asali asali; + std::vector mu, cp, h, s, cond, diff_mix, v, l; + std::vector > diff; + double mwmix, rho, mumix, cpmassmix, cpmolemix, hmassmix, hmolemix, condmix, smassmix, smolemix; + + clock_t tStart = clock(); + for (int i=0;i # +!# # +!################################################################################################ +!# # +!# License # +!# # +!# This file is part of ASALI. # +!# # +!# ASALI is free software: you can redistribute it and/or modify # +!# it under the terms of the GNU General Public License as published by # +!# the Free Software Foundation, either version 3 of the License, or # +!# (at your option) any later version. # +!# # +!# ASALI is distributed in the hope that it will be useful, # +!# but WITHOUT ANY WARRANTY; without even the implied warranty of # +!# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # +!# GNU General Public License for more details. # +!# # +!# You should have received a copy of the GNU General Public License # +!# along with ASALI. If not, see . # +!# # +!################################################################################################ + +include "Asali.f90" + +program example + use asali + implicit none + + real, dimension(3) :: x, mu, cp, h, s, cond, diffmix, v, l + real, dimension(3,3) :: diff + real :: rho, MWmix, condmix, mumix, cpmolemix, cpmassmix, & + hmolemix, hmassmix, smolemix, smassmix, tStart, tEnd + integer :: i, N + character(len=200), dimension(3) :: names + + character(len=32) :: arg + + call getarg(1, arg) + read (arg,'(I32)') N + + call cpu_time(tStart) + + do i=1,N + names(1) = 'H2' + names(2) = 'O2' + names(3) = 'N2' + + x(1) = 0.1 + x(2) = 0.2 + x(3) = 1 - x(1) - x(2) + + call set_temperature(393.15) + + call set_pressure(4e05) + + call set_number_of_species(3) + + call set_species_names(names) + + call set_mole_fraction(x) + + mu = get_species_viscosity() + rho = get_density() + MWmix = get_mixture_molecular_weight() + condmix = get_mixture_thermal_conductivity() + mumix = get_mixture_viscosity() + diffmix = get_mixture_diffusion() + cpmolemix = get_mixture_molar_specific_heat() + cpmassmix = get_mixture_mass_specific_heat() + hmolemix = get_mixture_molar_enthalpy() + hmassmix = get_mixture_mass_enthalpy() + smolemix = get_mixture_molar_entropy() + smassmix = get_mixture_mass_entropy() + diff = get_binary_diffusion() + cp = get_species_mass_specific_heat() + h = get_species_mass_enthalpy() + s = get_species_mass_entropy() + cond = get_species_thermal_conductivity() + v = get_aritmetic_mean_gas_velocity() + l = get_mean_free_path() + end do + + call cpu_time(tEnd) + + print '(A15)' ,'Fortran version' + print '(A16,ES9.3)' ,'Total (s): ', tEnd - tStart + print '(A16,ES9.3)' ,'Single run (s): ', (tEnd - tStart)/N + +end program example diff --git a/API/elapsedTimeComparison/README.md b/API/elapsedTimeComparison/README.md new file mode 100644 index 00000000..f412f28a --- /dev/null +++ b/API/elapsedTimeComparison/README.md @@ -0,0 +1,13 @@ +# **ASALI: Modeling and beyond** +## *APIs performance comparison* +### 1. Assumptions +This performance comparison has the following assumptions: +* Number of runs: 20000 +* Elapsed time to initialize **output variables** is **not considered** +* Elapsed time to initialize **operating condition** is **not considered** +### 2. Results +|Language|Total time (s)|Single run time (s)| +|--------|----------------|-------------------| +|C++|1.375e-01|6.874e-06| +|C|7.742e+00|3.871e-04| +|Fortran|1.035e-02|5.176e-07| diff --git a/API/elapsedTimeComparison/run.sh b/API/elapsedTimeComparison/run.sh new file mode 100755 index 00000000..055e293e --- /dev/null +++ b/API/elapsedTimeComparison/run.sh @@ -0,0 +1,145 @@ +#bin/bash + +function compile() +{ + echo "Compiling..." + rm -rf asali-C.sh + rm -rf asali-cpp.sh + rm -rf asali-fortran.sh + + gcc -w C-API.c ../C/AsaliVector.c ../C/AsaliMatrix.c ../C/Asali.c -I../C/ -lm -o asali-C.sh + + g++ -std=c++11 -w ../Cpp/Asali.C Cpp-API.cpp -I../Cpp/ -o asali-cpp.sh + + gfortran -o asali-fortran.sh Fortran-API.f90 -I../Fortran/ +} + +function run() +{ + local N=$1 + ./asali-C.sh $N > C.txt + ./asali-cpp.sh $N > Cpp.txt + ./asali-fortran.sh $N > Fortran.txt +} + +function printOnScreen() +{ + local N=$1 + echo "ASALI-API performance test with $N runs" + cat Cpp.txt | sed 's/,/./g' | sed 's/E/e/g' + cat C.txt | sed 's/,/./g' | sed 's/E/e/g' + cat Fortran.txt | sed 's/,/./g' | sed 's/E/e/g' +} + + +function parseSingleFileOutput() +{ + local filename=$1 + local language=$(cat $filename | sed -n 1p | sed 's/version//g' | sed 's/ //g' | sed 's/,/./g' | sed 's/E/e/g') + local totaltime=$(cat $filename | sed -n 2p| sed 's/Total (s)://g' | sed 's/ //g'| sed 's/,/./g' | sed 's/E/e/g') + local singleruntime=$(cat $filename | sed -n 3p | sed 's/Single run (s)://g' | sed 's/ //g'| sed 's/,/./g' | sed 's/E/e/g') + + echo "|$language|$totaltime|$singleruntime| " +} + +function markdownFileHead() +{ + local N=$1 + echo "# **ASALI: Modeling and beyond** " + echo "## *APIs performance comparison* " + echo "### 1. Assumptions " + echo "This performance comparison has the following assumptions: " + echo "* Number of runs: $N " + echo "* Elapsed time to initialize **output variables** is **not considered** " + echo "* Elapsed time to initialize **operating condition** is **not considered** " + echo "### 2. Results " + echo "|Language|Total time (s)|Single run time (s)|" + echo "|--------|----------------|-------------------|" +} + + +function printOnFile() +{ + local N=$1 + markdownFileHead $N + parseSingleFileOutput Cpp.txt + parseSingleFileOutput C.txt + parseSingleFileOutput Fortran.txt +} + +function Help() +{ + echo "Syntax: ./run.sh -n 100 --compile --file" + echo " options:" + echo " --compile Compile source code." + echo " --file Output on file (README.md)." + echo " -n Number of runs for performance check (e.g. 100)." + exit +} + +screen_output="true" +file_output="false" + +POSITIONAL=() +while [[ $# -gt 0 ]] +do + key="$1" + + case $key in + -h|--help) + Help + ;; + --compile) + compile_source="true" + shift # past argument + ;; + -n|--number-of-runs) + number_of_runs="$2" + shift # past argument + shift # past value + ;; + --file) + file_output="true" + shift # past argument + ;; + *) # unknown option + POSITIONAL+=("$1") # save it in an array for later + shift # past argument + ;; + esac +done +set -- "${POSITIONAL[@]}" # restore positional parameters + +if [ -z "$number_of_runs" ]; then + Help +fi + +if [ -z "$compile_source" ]; then + FILE=asali-C.sh + if [ ! -f "$FILE" ]; then + Help + fi + compile_source="false" +fi + +if [ "$compile_source" == "true" ]; then + compile +fi + +run $number_of_runs + +if [ "$screen_output" == "true" ]; then + printOnScreen $number_of_runs +fi + +if [ "$file_output" == "true" ]; then + printOnFile $number_of_runs > README.md +fi + +rm -rf *.txt + + + + + + From 30b07a7b7b1d54e2efee0b2b0813bb873cfd4a9e Mon Sep 17 00:00:00 2001 From: srebughini Date: Sat, 9 Jan 2021 15:46:55 +0100 Subject: [PATCH 09/17] Fix bug and improved README.md ouput --- API/README.md | 3 ++- API/elapsedTimeComparison/README.md | 13 +++++++------ API/elapsedTimeComparison/run.sh | 7 ++++--- 3 files changed, 13 insertions(+), 10 deletions(-) diff --git a/API/README.md b/API/README.md index 68c3d8b6..f6fe4d24 100644 --- a/API/README.md +++ b/API/README.md @@ -1,6 +1,7 @@ # **ASALI: Modeling and beyond** The Asali version with **Application Programming Interface** is an open-source code developed for engineers, chemists and students working on the modeling of gas phase mixture. This version of Asali is very helpful for those who need a reliable, simple and perfoming library for the estimation of thermodynamic and transport properties of ideal gas mixture. -If you are looking for something more advanced and with higher performance, we suggest [OpenSMOKE++](https://www.opensmokepp.polimi.it/) and [Cantera](https://cantera.org/). +Moreover, the [elapsed time comparison](https://github.com/srebughini/ASALI/tree/api/API/elapsedTimeComparison) can be helpful to select the correct programming language based on its performance. +However, if you are looking for something more advanced and more stable, we suggest [OpenSMOKE++](https://www.opensmokepp.polimi.it/) and [Cantera](https://cantera.org/). ## **1. Thermodynamic and transport properties** Let's go straight to the point! Asali library can estimate: diff --git a/API/elapsedTimeComparison/README.md b/API/elapsedTimeComparison/README.md index f412f28a..671c4100 100644 --- a/API/elapsedTimeComparison/README.md +++ b/API/elapsedTimeComparison/README.md @@ -1,13 +1,14 @@ # **ASALI: Modeling and beyond** -## *APIs performance comparison* +## **APIs elapsed time comparison** +These results are obtained with a *AMD Athlon(tm) II P320 Dual-Core Processor* with *Ubuntu 20.04* ### 1. Assumptions -This performance comparison has the following assumptions: -* Number of runs: 20000 +The performance comparison has the following assumptions: +* Number of runs: **20000** * Elapsed time to initialize **output variables** is **not considered** * Elapsed time to initialize **operating condition** is **not considered** ### 2. Results |Language|Total time (s)|Single run time (s)| |--------|----------------|-------------------| -|C++|1.375e-01|6.874e-06| -|C|7.742e+00|3.871e-04| -|Fortran|1.035e-02|5.176e-07| +|C++|1.442e-01|7.208e-06| +|C|7.928e+00|3.964e-04| +|Fortran|1.042e-02|5.212e-07| diff --git a/API/elapsedTimeComparison/run.sh b/API/elapsedTimeComparison/run.sh index 055e293e..c404e382 100755 --- a/API/elapsedTimeComparison/run.sh +++ b/API/elapsedTimeComparison/run.sh @@ -46,10 +46,11 @@ function markdownFileHead() { local N=$1 echo "# **ASALI: Modeling and beyond** " - echo "## *APIs performance comparison* " + echo "## **APIs elapsed time comparison** " + echo "These results are obtained with a *AMD Athlon(tm) II P320 Dual-Core Processor* with *Ubuntu 20.04* " echo "### 1. Assumptions " - echo "This performance comparison has the following assumptions: " - echo "* Number of runs: $N " + echo "The performance comparison has the following assumptions: " + echo "* Number of runs: **$N** " echo "* Elapsed time to initialize **output variables** is **not considered** " echo "* Elapsed time to initialize **operating condition** is **not considered** " echo "### 2. Results " From facd4293fc4db221121dd4032e37891d9f4ff571 Mon Sep 17 00:00:00 2001 From: srebughini Date: Sat, 9 Jan 2021 15:49:02 +0100 Subject: [PATCH 10/17] Update README.md --- API/README.md | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/API/README.md b/API/README.md index f6fe4d24..bcb5368e 100644 --- a/API/README.md +++ b/API/README.md @@ -1,6 +1,5 @@ # **ASALI: Modeling and beyond** -The Asali version with **Application Programming Interface** is an open-source code developed for engineers, chemists and students working on the modeling of gas phase mixture. This version of Asali is very helpful for those who need a reliable, simple and perfoming library for the estimation of thermodynamic and transport properties of ideal gas mixture. -Moreover, the [elapsed time comparison](https://github.com/srebughini/ASALI/tree/api/API/elapsedTimeComparison) can be helpful to select the correct programming language based on its performance. +The Asali version with **Application Programming Interface** is an open-source code developed for engineers, chemists and students working on the modeling of gas phase mixture. This version of Asali is very helpful for those who need a reliable, simple and perfoming library for the estimation of thermodynamic and transport properties of ideal gas mixture. Moreover, the [elapsed time comparison](https://github.com/srebughini/ASALI/tree/api/API/elapsedTimeComparison) can be helpful to select the correct programming language based on its performance. However, if you are looking for something more advanced and more stable, we suggest [OpenSMOKE++](https://www.opensmokepp.polimi.it/) and [Cantera](https://cantera.org/). ## **1. Thermodynamic and transport properties** From e94ec0751a80c8c1f3688187c8f01e263d578bef Mon Sep 17 00:00:00 2001 From: srebughini Date: Sat, 9 Jan 2021 16:00:33 +0100 Subject: [PATCH 11/17] Fix bug in C-API test --- API/elapsedTimeComparison/C-API.c | 3 +-- API/elapsedTimeComparison/README.md | 12 +++++++----- API/elapsedTimeComparison/run.sh | 5 +++-- 3 files changed, 11 insertions(+), 9 deletions(-) diff --git a/API/elapsedTimeComparison/C-API.c b/API/elapsedTimeComparison/C-API.c index f41dbd7f..0202e645 100644 --- a/API/elapsedTimeComparison/C-API.c +++ b/API/elapsedTimeComparison/C-API.c @@ -57,6 +57,7 @@ int main(int argc, char *argv[]) //Initialize variables Asali asali; + initialize(&asali); AsaliVector mu,cp,h,s,cond,diff_mix,v,l; AsaliMatrix diff; double MWmix, rho, mumix, cpmassmix, cpmolemix, hmassmix, hmolemix, smassmix, smolemix, condmix; @@ -64,8 +65,6 @@ int main(int argc, char *argv[]) clock_t tStart = clock(); for (int i=0;i Date: Sat, 9 Jan 2021 16:24:54 +0100 Subject: [PATCH 12/17] Add automatic reading on OS and Processor Model --- API/elapsedTimeComparison/README.md | 8 ++++---- API/elapsedTimeComparison/run.sh | 23 ++++++++++++++++++----- 2 files changed, 22 insertions(+), 9 deletions(-) diff --git a/API/elapsedTimeComparison/README.md b/API/elapsedTimeComparison/README.md index 5e704f7c..6e140a73 100644 --- a/API/elapsedTimeComparison/README.md +++ b/API/elapsedTimeComparison/README.md @@ -1,6 +1,6 @@ # **ASALI: Modeling and beyond** ## **APIs elapsed time comparison** -These results are obtained with a *AMD Athlon(tm) II P320 Dual-Core Processor* with *Ubuntu 20.04*. +These results are obtained with a *AMD Athlon(tm) II P320 Dual-Core Processor* with *Ubuntu 20.04.1 LTS*. You can run the same test on your own computer using the following command: `./run.sh -n 100000 --compile` ### 1. Assumptions @@ -11,6 +11,6 @@ The performance comparison has the following assumptions: ### 2. Results |Language|Total time (s)|Single run time (s)| |--------|----------------|-------------------| -|C++|7.000e-01|7.000e-06| -|C|2.952e+00|2.952e-05| -|Fortran|4.997e-02|4.997e-07| +|C++|6.962e-01|6.962e-06| +|C|2.953e+00|2.953e-05| +|Fortran|5.422e-02|5.422e-07| diff --git a/API/elapsedTimeComparison/run.sh b/API/elapsedTimeComparison/run.sh index 6b9cd456..3eeb525c 100755 --- a/API/elapsedTimeComparison/run.sh +++ b/API/elapsedTimeComparison/run.sh @@ -25,7 +25,14 @@ function run() function printOnScreen() { local N=$1 - echo "ASALI-API performance test with $N runs" + local model=$(echo $2 | sed 's/_/ /g') + local os=$(echo $3 | sed 's/_/ /g') + echo "ASALI-API performance test" + echo " " + echo "Number of runs: $N" + echo "Processor model: $model" + echo "Operating system: $os" + echo " " cat Cpp.txt | sed 's/,/./g' | sed 's/E/e/g' cat C.txt | sed 's/,/./g' | sed 's/E/e/g' cat Fortran.txt | sed 's/,/./g' | sed 's/E/e/g' @@ -45,9 +52,11 @@ function parseSingleFileOutput() function markdownFileHead() { local N=$1 + local model=$(echo $2 | sed 's/_/ /g') + local os=$(echo $3 | sed 's/_/ /g') echo "# **ASALI: Modeling and beyond** " echo "## **APIs elapsed time comparison** " - echo "These results are obtained with a *AMD Athlon(tm) II P320 Dual-Core Processor* with *Ubuntu 20.04*. " + echo "These results are obtained with a *$model* with *$os*. " echo "You can run the same test on your own computer using the following command: " echo '`./run.sh -n '"$N"' --compile` ' echo "### 1. Assumptions " @@ -63,7 +72,9 @@ function markdownFileHead() function printOnFile() { local N=$1 - markdownFileHead $N + local model=$2 + local os=$3 + markdownFileHead $N $model $os parseSingleFileOutput Cpp.txt parseSingleFileOutput C.txt parseSingleFileOutput Fortran.txt @@ -81,6 +92,8 @@ function Help() screen_output="true" file_output="false" +processor_model=$(lscpu | grep 'Model name' | sed 's/Model name://g' | xargs | sed 's/ /_/g') +os=$(hostnamectl | grep 'Operating System' | sed 's/Operating System://g' | xargs | sed 's/ /_/g') POSITIONAL=() while [[ $# -gt 0 ]] @@ -131,11 +144,11 @@ fi run $number_of_runs if [ "$screen_output" == "true" ]; then - printOnScreen $number_of_runs + printOnScreen $number_of_runs $processor_model $os fi if [ "$file_output" == "true" ]; then - printOnFile $number_of_runs > README.md + printOnFile $number_of_runs $processor_model $os > README.md fi rm -rf *.txt From 1832838734910adaff493bdb85f303a26745dc5a Mon Sep 17 00:00:00 2001 From: srebughini Date: Sat, 9 Jan 2021 16:41:53 +0100 Subject: [PATCH 13/17] Fix bash format issues --- API/elapsedTimeComparison/run.sh | 16 +++++++++------- 1 file changed, 9 insertions(+), 7 deletions(-) diff --git a/API/elapsedTimeComparison/run.sh b/API/elapsedTimeComparison/run.sh index 3eeb525c..5ac75dac 100755 --- a/API/elapsedTimeComparison/run.sh +++ b/API/elapsedTimeComparison/run.sh @@ -33,18 +33,18 @@ function printOnScreen() echo "Processor model: $model" echo "Operating system: $os" echo " " - cat Cpp.txt | sed 's/,/./g' | sed 's/E/e/g' - cat C.txt | sed 's/,/./g' | sed 's/E/e/g' - cat Fortran.txt | sed 's/,/./g' | sed 's/E/e/g' + sed 's/,/./g ; s/E/e/g' < Cpp.txt + sed 's/,/./g ; s/E/e/g' < C.txt + sed 's/,/./g ; s/E/e/g' < Fortran.txt } function parseSingleFileOutput() { local filename=$1 - local language=$(cat $filename | sed -n 1p | sed 's/version//g' | sed 's/ //g' | sed 's/,/./g' | sed 's/E/e/g') - local totaltime=$(cat $filename | sed -n 2p| sed 's/Total (s)://g' | sed 's/ //g'| sed 's/,/./g' | sed 's/E/e/g') - local singleruntime=$(cat $filename | sed -n 3p | sed 's/Single run (s)://g' | sed 's/ //g'| sed 's/,/./g' | sed 's/E/e/g') + local language=$(sed -n 1p | sed 's/version//g ; s/ //g ; s/,/./g ; s/E/e/g' < $filename) + local totaltime=$(sed -n 2p| sed 's/Total (s)://g ; s/ //g ; s/,/./g ; s/E/e/g' < $filename ) + local singleruntime=$(sed -n 3p | sed 's/Single run (s)://g ; s/ //g ; s/,/./g ; s/E/e/g' < $filename) echo "|$language|$totaltime|$singleruntime| " } @@ -151,7 +151,9 @@ if [ "$file_output" == "true" ]; then printOnFile $number_of_runs $processor_model $os > README.md fi -rm -rf *.txt +rm -rf Cpp.txt +rm -rf C.txt +rm -rf Fortran.txt From 87c2e17cfca593800b1aba470d1380b983c2b62f Mon Sep 17 00:00:00 2001 From: srebughini Date: Sat, 9 Jan 2021 16:46:29 +0100 Subject: [PATCH 14/17] Fix some style problems --- API/Cpp/Asali.h | 2 -- 1 file changed, 2 deletions(-) diff --git a/API/Cpp/Asali.h b/API/Cpp/Asali.h index cbb5384d..27e08e53 100644 --- a/API/Cpp/Asali.h +++ b/API/Cpp/Asali.h @@ -54,7 +54,6 @@ namespace ASALI class Asali { public: - Asali(); ~Asali(void); @@ -101,7 +100,6 @@ namespace ASALI void setSpecies(const std::vector name); private: - struct transportParameters { std::vector name; From fae963a946d35b06c286dec735fdc5312f8c5d78 Mon Sep 17 00:00:00 2001 From: srebughini Date: Mon, 11 Jan 2021 17:22:00 +0100 Subject: [PATCH 15/17] Improved performace comparison --- API/elapsedTimeComparison/C-API.c | 16 +++++-- API/elapsedTimeComparison/Cpp-API.cpp | 15 +++++-- API/elapsedTimeComparison/Fortran-API.f90 | 4 +- API/elapsedTimeComparison/README.md | 33 +++++++++----- API/elapsedTimeComparison/run.sh | 54 ++++++++++++++--------- 5 files changed, 81 insertions(+), 41 deletions(-) diff --git a/API/elapsedTimeComparison/C-API.c b/API/elapsedTimeComparison/C-API.c index 0202e645..555eedd8 100644 --- a/API/elapsedTimeComparison/C-API.c +++ b/API/elapsedTimeComparison/C-API.c @@ -56,13 +56,21 @@ int main(int argc, char *argv[]) vector_from_double_array(&x,3,X); //Initialize variables + clock_t initializationStart = clock(); + for (int i=0;i mu, cp, h, s, cond, diff_mix, v, l; std::vector > diff; double mwmix, rho, mumix, cpmassmix, cpmolemix, hmassmix, hmolemix, condmix, smassmix, smolemix; - clock_t tStart = clock(); + clock_t estimationStart = clock(); for (int i=0;i2|0.1|Molar fraction| +|O2|0.2|Molar fraction| +|N2|0.7|Molar fraction| The performance comparison has the following assumptions: -* Number of runs: **100000** +* Number of runs: **10000** * Elapsed time to initialize **output variables** is **not considered** -* Elapsed time to initialize **operating condition** is **not considered** -### 2. Results -|Language|Total time (s)|Single run time (s)| -|--------|----------------|-------------------| -|C++|6.962e-01|6.962e-06| -|C|2.953e+00|2.953e-05| -|Fortran|5.422e-02|5.422e-07| +## Results +The table reports the compatutational time required to **estimate all thermodynamic and transport properties** and the computational time required to **initialize ASALI**. +|Language|Initialization (s)|Estimation (s)| +|--------|----------------|-------------------| +|C++|2.345e-03|7.118e-06| +|C|3.286e-04|3.019e-05| +|Fortran|n.a.|5.433e-07| diff --git a/API/elapsedTimeComparison/run.sh b/API/elapsedTimeComparison/run.sh index 5ac75dac..a7f7fab2 100755 --- a/API/elapsedTimeComparison/run.sh +++ b/API/elapsedTimeComparison/run.sh @@ -42,11 +42,11 @@ function printOnScreen() function parseSingleFileOutput() { local filename=$1 - local language=$(sed -n 1p | sed 's/version//g ; s/ //g ; s/,/./g ; s/E/e/g' < $filename) - local totaltime=$(sed -n 2p| sed 's/Total (s)://g ; s/ //g ; s/,/./g ; s/E/e/g' < $filename ) - local singleruntime=$(sed -n 3p | sed 's/Single run (s)://g ; s/ //g ; s/,/./g ; s/E/e/g' < $filename) + local language=$(sed 's/version//g ; s/ //g ; s/,/./g ; s/E/e/g' < $filename | sed -n 1p) + local initime=$(sed 's/Initialization (s)://g ; s/ //g ; s/,/./g ; s/E/e/g' < $filename | sed -n 2p) + local estitime=$(sed 's/Estimation (s)://g ; s/ //g ; s/,/./g ; s/E/e/g' < $filename | sed -n 3p) - echo "|$language|$totaltime|$singleruntime| " + echo "|$language|$initime|$estitime| " } function markdownFileHead() @@ -57,16 +57,29 @@ function markdownFileHead() echo "# **ASALI: Modeling and beyond** " echo "## **APIs elapsed time comparison** " echo "These results are obtained with a *$model* with *$os*. " - echo "You can run the same test on your own computer using the following command: " - echo '`./run.sh -n '"$N"' --compile` ' - echo "### 1. Assumptions " + echo "If you download ASALI, you can run the same test on your own computer using the following commands: " + echo '```bash ' + echo "cd API/elapsedTimeComparison/ " + echo "./run.sh -n $N -f test.md --compile " + echo '``` ' + echo "## Assumptions and operating conditions " + echo "The gas mixture operating conditions are reported in the following table: " + echo "|Property|Value|Unit dimension| " + echo "|--------|-----|--------------| " + echo "|Temperature|393.15|K| " + echo "|Pressure|4|bar| " + echo "|H2|0.1|Molar fraction| " + echo "|O2|0.2|Molar fraction| " + echo "|N2|0.7|Molar fraction| " echo "The performance comparison has the following assumptions: " echo "* Number of runs: **$N** " echo "* Elapsed time to initialize **output variables** is **not considered** " - echo "* Elapsed time to initialize **operating condition** is **not considered** " - echo "### 2. Results " - echo "|Language|Total time (s)|Single run time (s)|" - echo "|--------|----------------|-------------------|" + echo "## Results " + echo "The table reports the compatutational time required to **estimate all thermodynamic and transport properties** and the computational time required to **initialize ASALI**. " + + echo "|Language|Initialization (s)|Estimation (s)| " + echo "|--------|----------------|-------------------| " + } function printOnFile() @@ -82,16 +95,15 @@ function printOnFile() function Help() { - echo "Syntax: ./run.sh -n 100 --compile --file" + echo "Syntax: ./run.sh -n 100 -f test.md --compile " echo " options:" echo " --compile Compile source code." - echo " --file Output on file (README.md)." - echo " -n Number of runs for performance check (e.g. 100)." + echo " -f Output file (README.md)." + echo " -n Number of runs (e.g. 100)." exit } screen_output="true" -file_output="false" processor_model=$(lscpu | grep 'Model name' | sed 's/Model name://g' | xargs | sed 's/ /_/g') os=$(hostnamectl | grep 'Operating System' | sed 's/Operating System://g' | xargs | sed 's/ /_/g') @@ -113,8 +125,8 @@ do shift # past argument shift # past value ;; - --file) - file_output="true" + -f|--file) + file_output="$2" shift # past argument ;; *) # unknown option @@ -129,6 +141,10 @@ if [ -z "$number_of_runs" ]; then Help fi +if [ -z "$file_output" ]; then + Help +fi + if [ -z "$compile_source" ]; then FILE=asali-C.sh if [ ! -f "$FILE" ]; then @@ -147,9 +163,7 @@ if [ "$screen_output" == "true" ]; then printOnScreen $number_of_runs $processor_model $os fi -if [ "$file_output" == "true" ]; then - printOnFile $number_of_runs $processor_model $os > README.md -fi +printOnFile $number_of_runs $processor_model $os > $file_output rm -rf Cpp.txt rm -rf C.txt From 86e6e99de6949e987cb2d4561d008860e64dd9d1 Mon Sep 17 00:00:00 2001 From: srebughini Date: Mon, 11 Jan 2021 17:25:12 +0100 Subject: [PATCH 16/17] Update README --- API/elapsedTimeComparison/README.md | 1 + 1 file changed, 1 insertion(+) diff --git a/API/elapsedTimeComparison/README.md b/API/elapsedTimeComparison/README.md index ca234927..04500e70 100644 --- a/API/elapsedTimeComparison/README.md +++ b/API/elapsedTimeComparison/README.md @@ -15,6 +15,7 @@ The gas mixture operating conditions are reported in the following table: |H2|0.1|Molar fraction| |O2|0.2|Molar fraction| |N2|0.7|Molar fraction| + The performance comparison has the following assumptions: * Number of runs: **10000** * Elapsed time to initialize **output variables** is **not considered** From 1467bfae11237532da0b3ae2ac2404d47901e129 Mon Sep 17 00:00:00 2001 From: srebughini Date: Mon, 11 Jan 2021 17:35:09 +0100 Subject: [PATCH 17/17] Update README --- API/elapsedTimeComparison/README.md | 12 ++++++------ API/elapsedTimeComparison/run.sh | 2 +- 2 files changed, 7 insertions(+), 7 deletions(-) diff --git a/API/elapsedTimeComparison/README.md b/API/elapsedTimeComparison/README.md index 04500e70..0dc9bbd7 100644 --- a/API/elapsedTimeComparison/README.md +++ b/API/elapsedTimeComparison/README.md @@ -4,7 +4,7 @@ These results are obtained with a *AMD Athlon(tm) II P320 Dual-Core Processor* w If you download ASALI, you can run the same test on your own computer using the following commands: ```bash cd API/elapsedTimeComparison/ -./run.sh -n 10000 -f test.md --compile +./run.sh -n 30000 -f test.md --compile ``` ## Assumptions and operating conditions The gas mixture operating conditions are reported in the following table: @@ -15,14 +15,14 @@ The gas mixture operating conditions are reported in the following table: |H2|0.1|Molar fraction| |O2|0.2|Molar fraction| |N2|0.7|Molar fraction| - + The performance comparison has the following assumptions: -* Number of runs: **10000** +* Number of runs: **30000** * Elapsed time to initialize **output variables** is **not considered** ## Results The table reports the compatutational time required to **estimate all thermodynamic and transport properties** and the computational time required to **initialize ASALI**. |Language|Initialization (s)|Estimation (s)| |--------|----------------|-------------------| -|C++|2.345e-03|7.118e-06| -|C|3.286e-04|3.019e-05| -|Fortran|n.a.|5.433e-07| +|C++|2.371e-03|6.821e-06| +|C|3.965e-04|3.032e-05| +|Fortran|n.a.|6.991e-07| diff --git a/API/elapsedTimeComparison/run.sh b/API/elapsedTimeComparison/run.sh index a7f7fab2..a834a678 100755 --- a/API/elapsedTimeComparison/run.sh +++ b/API/elapsedTimeComparison/run.sh @@ -71,12 +71,12 @@ function markdownFileHead() echo "|H2|0.1|Molar fraction| " echo "|O2|0.2|Molar fraction| " echo "|N2|0.7|Molar fraction| " + echo " " echo "The performance comparison has the following assumptions: " echo "* Number of runs: **$N** " echo "* Elapsed time to initialize **output variables** is **not considered** " echo "## Results " echo "The table reports the compatutational time required to **estimate all thermodynamic and transport properties** and the computational time required to **initialize ASALI**. " - echo "|Language|Initialization (s)|Estimation (s)| " echo "|--------|----------------|-------------------| "