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collision.c
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collision.c
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/* ------- file: -------------------------- collision.c -------------
Version: rh2.0
Author: Han Uitenbroek (huitenbroek@nso.edu)
Last modified: Thu Dec 15 13:21:00 2016 (Tiago) --
-------------------------- ----------RH-- */
/* --- Reads collisional data from atomic data file and computes
collisional rates.
Format is similar to MULTI's routine GENCOL:
Input line can be either
TEMP Nitem T[0] ... T[Nitem-1]
to read in the temperature grid for collisional coefficients, or
KEYWORD i1 i2 coeff[0] ... coeff[Nitem-1]
to read the coefficients for transitions between i1 and i2.
Multiple entries of the temperature grid are allowed, but
at least one entry with the correct number of grid points
has to precede an entry with coefficients.
Allowed keywords are:
Keyword Transition type
----------------------------------------------------
TEMP --> Temperature grid
OMEGA --> Collisional de-excitation of ions by electrons
CE --> Collisional de-excitation of neutrals by electrons
CI --> Collisional ionisation by electrons
CP --> Collisional de-excitation by protons
CR --> Collisional recombination (Added by Hsiao-hsuan, RECO in MULTI)
CH0 --> Charge exchange of ion with neutral hydrogen
CH+ --> Charge exchange of neutral with protons
AR85-CEA --> Collisional auto-ionisation following Arnaud &
Rothenflug (1985, ApJS 60)
AR85-CDI ---> Collisional ionisation following Arnaud & Rothenflug
(1985, ApJS 60)
AR85-CHP --> Charge exchange with ionised hydrogen following
Arnaud & Rothenflug (1985, ApJS 60)
AR85-CHH --> Charge exchange with neutral hydrogen following
Arnaud & Rothenflug (1985, ApJS 60)
BURGESS --> Collisional ionisation from excited states following
Burgess & Chidichimo (1983, MNRAS 203, 1269)
BADNELL --> Dielectronic recombination following
Badnell (2006, A&A, 447, 389)
SHULL82 --> Coefficients for collisional ionization, radiative
recombination, and dielectronic recombination following
Shull & van Steenberg (1982, ApJS, 48, 95)
SUMMERS --> Scaling factor for density-dependent dielectronic recombination
according to Summers (1974). Default is 0, use 1 for
full Summers coefficients.
END --> End of input data
----------------------------------------------------
Note: Unit of number density is m^-3.
Convention: C_ij = C[i][j] represents the
transition j --> i
-- -------------- */
#include <math.h>
#include <stdlib.h>
#include <string.h>
#include "rh.h"
#include "atom.h"
#include "atmos.h"
#include "constant.h"
#include "error.h"
#include "inputs.h"
#include "statistics.h"
#define COMMENT_CHAR "#"
#define min( a, b ) ( ((a) < (b)) ? (a) : (b) )
/* --- Function prototypes -- -------------- */
double E1(double x);
double fone(double x);
double ftwo(double x);
void atomnm(int anr, char *cseq);
int atomnr(char *ID);
double ar85cea(int i, int j, int k, struct Atom *atom);
void rowcol(int i, int *row, int *col);
/* --- Global variables -- -------------- */
extern Atmosphere atmos;
extern char messageStr[];
/* ------- begin ---------------------------rowcol.c ---------------- */
void rowcol(int anr, int *row, int *col){
register int i;
int istart[7] = {0, 2, 10, 18, 36, 54, 86};
for (i = 0; i < 5; i++) {
if (anr > istart[i] && anr <= istart[i + 1]) {
*row=i;
break;
}
}
*col = anr - istart[i];
*row += 1;
}
/* ------- end ---------------------------- rowcol.c ---------------- */
/* ------- begin -------------------------- fone.c ------------------ */
double fone(double x)
{
/* --- Function f_1
Ref: Arnaud & Rothenflug, 1985, A&ASS, 60, 425
-- -------------- */
double y;
if (x <= 50.0) {
y = exp(x) * E1(x);
} else {
y = 1.0 / x;
}
return y;
}
/* ------- end ---------------------------- fone.c ------------------ */
/* ------- begin -------------------------- ftwo.c ------------------ */
#define BRK 4.0
double ftwo(double x)
{
/* --- Function f_2
Ref: Arnaud & Rothenflug, 1985, A&ASS, 60, 425
Improved description when x < 4 from:
Hummer, 1983, jqsrt, 30 281
-- -------------- */
register int i;
double y;
double p[15] = {1.0000e+00, 2.1658e+02, 2.0336e+04, 1.0911e+06, 3.7114e+07,
8.3963e+08, 1.2889e+10, 1.3449e+11, 9.4002e+11, 4.2571e+12,
1.1743e+13, 1.7549e+13, 1.0806e+13, 4.9776e+11, 0.0000};
double q[15] = {1.0000e+00, 2.1958e+02, 2.0984e+04, 1.1517e+06, 4.0349e+07,
9.4900e+08, 1.5345e+10, 1.7182e+11, 1.3249e+12, 6.9071e+12,
2.3531e+13, 4.9432e+13, 5.7760e+13, 3.0225e+13, 3.3641e+12};
double px, xfact, qx, gamma, f0x, count, fact, term;
if (x > BRK) {
px = p[0];
xfact = 1.0;
for (i = 1; i < 15; i++) {
xfact /= x;
px += p[i] * xfact;
}
qx = q[0];
xfact = 1.0;
for (i = 1; i < 15; i++) {
xfact /= x;
qx += q[i] * xfact;
}
y = px / (qx * SQ(x));
} else {
gamma = 0.5772156649;
f0x = SQ(PI) / 12.0;
term = 1.0;
count = 0.0;
fact = 1.0;
xfact = 1.0;
while (fabs(term / f0x) > 1.0E-8) {
count = count + 1.0;
fact = fact * count;
xfact = xfact * (-x);
term = xfact / (SQ(count) * fact);
f0x = f0x + term;
if (count > 100.0) {
/*ERROR CODE HERE */
}
}
y = exp(x) * ((log(x) + gamma) * (log(x) + gamma)*0.5 + f0x);
}
return y;
}
/* ------- end ----------------------------- ftwo.c ----------------- */
/* ------- begin --------------------------- atomnr.c --------------- */
void atomnm(int anr,char *cseq)
{
/* --- Returns element ID -- -------------- */
if (anr < 28) {
strcpy(cseq, atmos.elements[anr].ID);
} else {
strcpy(cseq, " ");
}
}
/* ------- end ----------------------------- atomnm.c --------------- */
/* ------- begin --------------------------- ar85cea.c -------------- */
double ar85cea(int i, int j, int k, struct Atom *atom)
{
/* --- Routine for computing collisional autoionization rates using
formalism from Arnaud and Rothenflug 1985, A&ASS, 60, 425
94-02-22 new routine: (Philip Judge)
96-03-07 modifications: (Philip Judge)
Bug fixed: cup initialized to zero
-- -------------- */
char cseq[ATOM_ID_WIDTH+1];
int iz, ichrge, isoseq;
double zz, cup, bkt, b, zeff, iea, y, f1y, a, g, cea;
/* --- Initialize output to zero -- -------------- */
cea = 0.0;
y = 0.0;
f1y = 0.0;
cup = 0.0;
/* --- Find element -- -------------- */
iz = atomnr(atom->ID) + 1;
zz = iz;
if (iz < 1 || iz > 92) {
/* ERROR CODE HERE */
}
/* --- Find iso-electronic sequence -- -------------- */
ichrge = atom->stage[i];
isoseq = iz - ichrge;
atomnm(isoseq - 1, &cseq[0]);
/* --- Temperature in eV -- -------------- */
bkt = KBOLTZMANN * atmos.T[k] / EV;
/* --- Lithium sequence -- -------------- */
if (!strcmp(cseq, "LI")) {
iea = 13.6 * (pow(zz - 0.835, 2) - 0.25*pow(zz - 1.62, 2));
b = 1.0 / (1.0 + 2.0E-4*pow(zz, 3));
zeff = zz - 0.43;
y = iea / bkt;
f1y = fone(y);
g = 2.22*f1y + 0.67*(1.0 - y*f1y) + 0.49*y*f1y + 1.2*y*(1.0 - y*f1y);
cup = (1.60E-07 * 1.2 * b) / (pow(zeff, 2) * sqrt(bkt)) * exp(-y)*g;
/* --- Special cases -- -------------- */
if (!strcmp(atom->ID, "C")) {
/* --- C IV - app a ar85 -- -------------- */
cup *= 0.6;
} else if (!strcmp(atom->ID, "N")) {
/* --- N V - app a ar85 -- -------------- */
cup *= 0.8;
} else if (!strcmp(atom->ID, "O")) {
/* --- O VI - app a ar85 -- -------------- */
cup *= 1.25;
}
} else if (!strcmp(cseq,"NA") ) {
/* --- Sodium sequence -- -------------- */
if (iz <= 16) {
iea = 26.0 * (zz - 10.);
a = 2.8E-17 * pow(zz - 11.0, -0.7);
y = iea / bkt;
f1y = fone(y);
cup = 6.69E+7 * a * iea / sqrt(bkt) * exp(-y) * (1.0 - y*f1y);
} else if (iz >= 18 && iz <= 28) {
iea = 11.0* (zz - 10.0) * sqrt(zz - 10.0);
a = 1.3E-14 * pow(zz - 10.0, -3.73);
y = iea/bkt;
f1y = fone(y);
cup = 6.69E+7 * a * iea / sqrt(bkt) * exp(-y) *
(1.0 - 0.5*(y - SQ(y) + SQ(y)*y*f1y));
} else {
cup = 0.0;
}
}
/* --- Magnesium-sulfur sequences -- --------------- */
if (!strcmp(cseq, "MG") || !strcmp(cseq, "AL") || !strcmp(cseq, "SI") ||
!strcmp(cseq, "P") || !strcmp(cseq, "S") ) {
if (!strcmp(cseq, "MG")) iea = 10.3 * pow(zz - 10.0, 1.52);
if (!strcmp(cseq, "AL")) iea = 18.0 * pow(zz - 11.0, 1.33);
if (!strcmp(cseq, "SI")) iea = 18.4 * pow(zz - 12.0, 1.36);
if (!strcmp(cseq, "P" )) iea = 23.7 * pow(zz - 13.0, 1.29);
if (!strcmp(cseq, "S" )) iea = 40.1 * pow(zz - 14.0, 1.1 );
a = 4.0E-13 / (SQ(zz) * iea);
y = iea / bkt;
f1y = fone(y);
cup = 6.69E+7 * a * iea / sqrt(bkt) * exp(-y) *
( 1.0 - 0.5*(y - SQ(y) + SQ(y)*y*f1y) );
}
/* --- Special cases -- -------------- */
if(!strcmp(atom->ID, "CA") && ichrge == 0) {
iea = 25.;
a = 9.8e-17;
b = 1.12;
cup = 6.69E+7 * a * iea / sqrt(bkt) * exp(-y)*(1.0 + b*f1y);
} else if (!strcmp(atom->ID, "CA") && ichrge == 1) {
a = 6.0e-17;
iea = 25.0;
b = 1.12;
cup = 6.69E+7 * a * iea / sqrt(bkt) * exp(-y)*(1.0 + b*f1y);
} else if (!strcmp(atom->ID, "FE") && ichrge == 3) {
a = 1.8E-17;
iea = 60.0;
b = 1.0;
cup = 6.69e+7 * a * iea / sqrt(bkt) * exp(-y)*(1.0 + b*f1y);
} else if (!strcmp(atom->ID, "FE") && ichrge == 4) {
a = 5.0E-17;
iea = 73.0;
b = 1.0;
cup = 6.69E+7 * a * iea / sqrt(bkt) * exp(-y)*(1.0 + b*f1y);
}
return cup * CUBE(CM_TO_M);
}
/* --------- end --------------------------- ar85cea.c -------------- */
/* ------- begin --------------------------- summers.c -------------- */
double summers(int i, int j, double nne, struct Atom *atom){
/* --- Density sensitive dielectronic recombination
22-Jun-1994 changes begin P.G.Judge
The term adi may be multiplied by a density-sensitive factor
if needed- this is crucial for Li and B-like ions colliding with
impacting electrons.
This simple formulation was derived from a study of the dependence of
the dielectronic "bump" in the figures of Summers 1974
(Appleton Laboratory internal memo), and fitting according to the
parameter Ne / z^7
This should be accurate to typically +/- 0.1 in log in regions
where it matters. Worse case is e.g. C like Neon where it underestimates
density factor by maybe 0.25 in log.
June 24, 2006 changes begin P.G.Judge
original (pre MAY 2006) code
define rho = nne/ z^7 where z is charge on recombining ion
rho=10.^(alog10(nne) - 7.* alog10(charge))
rho0=2.e3
if(isos eq 'LI' or isos eq 'NA' or isos eq 'K') then rho0 = 3.e1
ne_factor = 1./(1. + rho/rho0)^0.14
print,'ne_factor',ne_factor
June 24, 2006, more accurate version.
get the row and column of the recombined ion's isoelectronic
sequence in the periodic table
the following parameters mimic the tables 1-19 of
H. Summers' Appleton Lab Report 367, 1974
Mar 9 2012 Jorrit Leenaarts: stole routine from Phil Judge's
DIPER IDL package
-- -------------- */
char cseq[ATOM_ID_WIDTH+1];
int iz,isoseq,row,col;
double y, zz, rho0, rhoq, x, beta;
/* --- Find atomic number of element -- -------------- */
iz = atomnr(atom->ID) + 1;
if (iz < 1 || iz > 92) {
/*ERROR CODE HERE*/
}
/* --- Charge of recombining ion -- ------------- */
zz = atom->stage[j];
/* --- Find iso-electronic sequence of recombined ion -- --------- */
isoseq = iz - atom->stage[i];
atomnm(isoseq - 1, &cseq[0]);
/* --- Row and column in periodic table -- ------------- */
rowcol(isoseq, &row, &col);
rhoq = nne * CUBE(CM_TO_M) / pow(zz, 7);
x = (0.5 * zz + (col - 1.0)) * row / 3.0;
beta = -0.2 / log(x + 2.71828);
rho0 = 30.0 + 50.0*x;
y = pow(1.0 + rhoq/rho0, beta);
return y;
}
/* ------- end ----------------------------- summers.c -------------- */
/* ------- begin --------------------------- atomnr.c --------------- */
int atomnr(char ID[ATOM_ID_WIDTH+1])
{
/* --- Returns atomic number of element with name id -- ----------- */
int i = 0;
while (strcmp(atmos.elements[i].ID, ID)) i++;
return i;
}
/* ------- end ---------------------------- atomnr.c ---------------- */
/* ------- begin -------------------------- CollisionRate.c --------- */
#define MSHELL 5
void CollisionRate(struct Atom *atom, char *fp_atom)
{
const char routineName[] = "CollisionRate";
register int k, n, m, ii;
char inputLine[MAX_LINE_SIZE], keyword[MAX_LINE_SIZE], *pointer,
labelStr[MAX_LINE_SIZE];
bool_t hunt, exit_on_EOF;
int nitem, i1, i2, i, j, ij, ji, Nlevel = atom->Nlevel, Nitem,
status;
long Nspace = atmos.Nspace;
fpos_t collpos;
double dE, C0, *T, *coeff, *C, Cdown, Cup, gij, *np, xj, fac, fxj;
int Ncoef, Nrow;
double **cdi, **badi;
double acolsh,tcolsh,aradsh,xradsh,adish,bdish,t0sh,t1sh,summrs,tg,cdn,cup;
double ar85t1,ar85t2,ar85a,ar85b,ar85c,ar85d,t4;
double de,zz,betab,cbar,dekt,dekti,wlog,wb, sumscl = 0.0;
getCPU(3, TIME_START, NULL);
C0 = ((E_RYDBERG/sqrt(M_ELECTRON)) * PI*SQ(RBOHR)) *
sqrt(8.0/(PI*KBOLTZMANN));
if (atom->C)
freeMatrix((void**)atom->C);
atom->C = matrix_double(SQ(Nlevel), Nspace);
C = (double *) malloc(Nspace * sizeof(double));
T = coeff = NULL;
while ((status = getLineString(&fp_atom, COMMENT_CHAR,
inputLine, exit_on_EOF=FALSE)) != EOF) {
strcpy(keyword, strtok(inputLine, " "));
if (!strcmp(keyword, "TEMP")) {
/* --- Read temperature grid -- -------------- */
Nitem = atoi(strtok(NULL, " "));
T = (double *) realloc(T, Nitem*sizeof(double));
for (n = 0, nitem = 0; n < Nitem; n++) {
if ((pointer = strtok(NULL, " ")) == NULL) break;
nitem += sscanf(pointer, "%lf", T+n);
}
} else if (!strcmp(keyword, "OMEGA") || !strcmp(keyword, "CE") ||
!strcmp(keyword, "CI") || !strcmp(keyword, "CP") ||
!strcmp(keyword, "CH0") || !strcmp(keyword, "CH+")||
!strcmp(keyword, "CH") || !strcmp(keyword, "CR") ) {
/* --- Read level indices and collision coefficients -- ------- */
i1 = atoi(strtok(NULL, " "));
i2 = atoi(strtok(NULL, " "));
coeff = (double *) realloc(coeff, Nitem*sizeof(double));
for (n = 0, nitem = 0; n < Nitem; n++) {
if ((pointer = strtok(NULL, " ")) == NULL) break;
nitem += sscanf(pointer, "%lf", coeff+n);
}
/* --- Transitions i -> j are stored at index ji, transitions
j -> i are stored under ij. -- -------------- */
i = MIN(i1, i2);
j = MAX(i1, i2);
ij = i*Nlevel + j;
ji = j*Nlevel + i;
} else if (!strcmp(keyword, "AR85-CHP") || !strcmp(keyword, "AR85-CHH")) {
i1 = atoi(strtok(NULL, " "));
i2 = atoi(strtok(NULL, " "));
Nitem = 6;
coeff = (double *) realloc(coeff, Nitem*sizeof(double));
for (n = 0, nitem = 0; n < Nitem; n++) {
if ((pointer = strtok(NULL, " ")) == NULL) break;
nitem += sscanf(pointer, "%lf", coeff+n);
}
i = MIN(i1, i2);
j = MAX(i1, i2);
ij = i*Nlevel + j;
ji = j*Nlevel + i;
} else if (!strcmp(keyword, "AR85-CEA") || !strcmp(keyword, "BURGESS")) {
i1 = atoi(strtok(NULL, " "));
i2 = atoi(strtok(NULL, " "));
Nitem = 1;
coeff = (double *) realloc(coeff, Nitem*sizeof(double));
coeff[0] = atof(strtok(NULL, " "));
nitem = 1;
i = MIN(i1, i2);
j = MAX(i1, i2);
ij = i*Nlevel + j;
ji = j*Nlevel + i;
} else if (!strcmp(keyword, "SHULL82")) {
i1 = atoi(strtok(NULL, " "));
i2 = atoi(strtok(NULL, " "));
Nitem = 8;
coeff = (double *) realloc(coeff, Nitem*sizeof(double));
for (n = 0, nitem = 0; n < Nitem; n++) {
if ((pointer = strtok(NULL, " ")) == NULL) break;
nitem += sscanf(pointer, "%lf", coeff+n);
}
i = MIN(i1, i2);
j = MAX(i1, i2);
ij = i*Nlevel + j;
ji = j*Nlevel + i;
} else if (!strcmp(keyword,"BADNELL")) {
/* --- BADNELL recipe for dielectronic recombination:
Bhavna Rathore: 20 Jan 2014
-- -------------- */
i1 = atoi(strtok(NULL, " "));
i2 = atoi(strtok(NULL, " "));
Ncoef = atoi(strtok(NULL, " "));
Nrow = 2;
Nitem = Nrow * Ncoef;
badi = matrix_double(Nrow, Ncoef);
for (m = 0, nitem = 0; m < Nrow; m++) {
status = getLineString(&fp_atom, COMMENT_CHAR, inputLine,
exit_on_EOF=FALSE);
badi[m][0] = atof(strtok(inputLine, " "));
nitem++;
for (n = 1; n < Ncoef; n++) {
if ((pointer = strtok(NULL, " ")) == NULL) break;
nitem += sscanf(pointer, "%lf", badi[m]+n);
}
}
i = MIN(i1, i2);
j = MAX(i1, i2);
ij = i*Nlevel + j;
ji = j*Nlevel + i;
} else if (!strcmp(keyword, "SUMMERS")) {
/* --- Switch for density dependent DR coefficent
Give default multiplication factor of summers density
dependence of dielectronic recombination:
sumscl = 0.0 means there is no density dependence
sumscl = 1.0 means full summers density dependence
-- -------------- */
Nitem = 1;
sumscl = atof(strtok(NULL, " "));
nitem = 1;
} else if (!strcmp(keyword, "AR85-CDI")) {
i1 = atoi(strtok(NULL, " "));
i2 = atoi(strtok(NULL, " "));
Nrow = atoi(strtok(NULL, " "));
if (Nrow > MSHELL) {
sprintf(messageStr, "Nrow: %i greater than mshell %i",
Nrow, MSHELL);
Error(ERROR_LEVEL_2, routineName, messageStr);
}
Nitem = Nrow * MSHELL;
cdi = matrix_double(Nrow, MSHELL);
for (m = 0, nitem = 0; m < Nrow; m++) {
status = getLineString(&fp_atom, COMMENT_CHAR, inputLine,
exit_on_EOF=FALSE);
cdi[m][0] = atof(strtok(inputLine, " "));
nitem++;
for (n = 1; n < MSHELL; n++) {
if ((pointer = strtok(NULL, " ")) == NULL) break;
nitem += sscanf(pointer, "%lf", cdi[m]+n);
}
}
i = MIN(i1, i2);
j = MAX(i1, i2);
ij = i*Nlevel + j;
ji = j*Nlevel + i;
} else if (strstr(keyword, "END")) {
break;
} else {
sprintf(messageStr, "Unknown keyword: !%s!", keyword);
Error(ERROR_LEVEL_1, routineName, messageStr);
}
if (nitem != Nitem) {
sprintf(messageStr, "\n Read %d, not %d items (keyword = %s)\n",
nitem, Nitem, keyword);
Error(ERROR_LEVEL_2, routineName, messageStr);
}
/* --- Spline interpolation in temperature T for all spatial
locations. Linear if only 2 interpolation points given - -
Spline interpolation in log values to avoid negative numbers */
if (!strcmp(keyword, "OMEGA") || !strcmp(keyword, "CE") ||
!strcmp(keyword, "CI") || !strcmp(keyword, "CP") ||
!strcmp(keyword, "CH0") || !strcmp(keyword, "CH+")||
!strcmp(keyword, "CH") || !strcmp(keyword, "CR") ) {
if (Nitem > 2) {
for (ii = 0; ii < Nitem; ii++) {
coeff[ii]=log(coeff[ii]);
}
splineCoef(Nitem, T, coeff);
splineEval(Nspace, atmos.T, C, hunt=TRUE);
for (ii = 0; ii < Nspace; ii++) {
C[ii]=exp(C[ii]);
}
} else Linear(Nitem, T, coeff, Nspace, atmos.T, C, hunt=TRUE);
}
if (!strcmp(keyword, "OMEGA")) {
/* --- Collisional excitation of ions -- -------------- */
for (k = 0; k < Nspace; k++) {
Cdown = C0 * atmos.ne[k] * C[k] /
(atom->g[j] * sqrt(atmos.T[k]));
atom->C[ij][k] += Cdown;
atom->C[ji][k] += Cdown * atom->nstar[j][k]/atom->nstar[i][k];
}
} else if (!strcmp(keyword, "CE")) {
/* --- Collisional excitation of neutrals -- -------------- */
gij = atom->g[i] / atom->g[j];
for (k = 0; k < Nspace; k++) {
Cdown = C[k] * atmos.ne[k] * gij * sqrt(atmos.T[k]);
atom->C[ij][k] += Cdown;
atom->C[ji][k] += Cdown * atom->nstar[j][k]/atom->nstar[i][k];
}
} else if (!strcmp(keyword, "CI")) {
/* --- Collisional ionization -- -------------- */
dE = atom->E[j] - atom->E[i];
for (k = 0; k < Nspace; k++) {
Cup = C[k] * atmos.ne[k] *
exp(-dE/(KBOLTZMANN*atmos.T[k])) * sqrt(atmos.T[k]);
atom->C[ji][k] += Cup;
atom->C[ij][k] += Cup * atom->nstar[i][k]/atom->nstar[j][k];
}
} else if (!strcmp(keyword, "CR")) {
/* --- Collisional de-excitation by electrons -- -------------- */
for (k = 0; k < Nspace; k++) {
Cdown = atmos.ne[k] * C[k];
atom->C[ij][k] += Cdown;
}
} else if (!strcmp(keyword, "CP")) {
/* --- Collisions with protons -- -------------- */
np = atmos.H->n[atmos.H->Nlevel-1];
for (k = 0; k < Nspace; k++) {
Cdown = np[k] * C[k];
atom->C[ij][k] += Cdown;
atom->C[ji][k] += Cdown * atom->nstar[j][k]/atom->nstar[i][k];
}
} else if (!strcmp(keyword, "CH")) {
/* --- Collisions with neutral hydrogen -- -------------- */
for (k = 0; k < Nspace; k++) {
Cup = atmos.H->n[0][k] * C[k];
atom->C[ji][k] += Cup;
atom->C[ij][k] += Cup * atom->nstar[i][k]/atom->nstar[j][k];
}
} else if (!strcmp(keyword, "CH0")) {
/* --- Charge exchange with neutral hydrogen -- -------------- */
for (k = 0; k < Nspace; k++)
atom->C[ij][k] += atmos.H->n[0][k] * C[k];
} else if (!strcmp(keyword, "CH+")) {
/* --- Charge exchange with protons -- -------------- */
np = atmos.H->n[atmos.H->Nlevel-1];
for (k = 0; k < Nspace; k++)
atom->C[ji][k] += np[k] * C[k];
} else if (!strcmp(keyword, "SHULL82")) {
acolsh = coeff[0];
tcolsh = coeff[1];
aradsh = coeff[2];
xradsh = coeff[3];
adish = coeff[4];
bdish = coeff[5];
t0sh = coeff[6];
t1sh = coeff[7];
for (k = 0; k < Nspace; k++) {
summrs = sumscl * summers(i, j, atmos.ne[k], atom) +
(1.0 - sumscl);
tg = atmos.T[k];
cdn = aradsh * pow(tg/1.E4, -xradsh) +
summrs * adish /tg/sqrt(tg) * exp(-t0sh/tg) *
(1.0 + bdish * (exp(-t1sh/tg)));
cup = acolsh * sqrt(tg) * exp( -tcolsh / tg) /
(1.0 + 0.1 * tg / tcolsh);
/* --- Convert coefficient from cm^3 s^-1 to m^3 s^-1 -- ---- */
cdn *= atmos.ne[k] * CUBE(CM_TO_M);
cup *= atmos.ne[k] * CUBE(CM_TO_M);
/* --- 3-body recombination (high density limit) -- -------- */
cdn += cup * atom->nstar[i][k] / atom->nstar[j][k];
atom->C[ij][k] += cdn;
atom->C[ji][k] += cup;
}
} else if (!strcmp(keyword, "BADNELL")) {
/* --- Fit for dielectronic recombination from Badnell
Bhavna Rathore Jan-14
First line coefficients are the energies in K (ener in Chianti)
Second line coefficients are the coefficients (coef in Chianti)
-- -------------- */
for (k = 0; k < Nspace; k++) {
summrs = sumscl*summers(i, j, atmos.ne[k], atom) + (1.0-sumscl);
tg = atmos.T[k];
cdn = 0.0;
for (ii=0; ii < Ncoef; ii++) {
cdn += badi[1][ii] * exp(-badi[0][ii] / tg);
}
cdn *= pow(tg, -1.5) ;
/* --- Convert coefficient from cm^3 s^-1 to m^3 s^-1 -- ---- */
cdn *= atmos.ne[k] * summrs * CUBE(CM_TO_M);
/* cup = cdn * atom->nstar[j][k]/atom->nstar[i][k]; */
/* --- 3-body recombination (high density limit) -- --------- */
/* cdn += cup * atom->nstar[i][k] / atom->nstar[j][k]; */
atom->C[ij][k] += cdn;
/* atom->C[ji][k] += cup; */
}
freeMatrix((void **) badi);
} else if (!strcmp(keyword, "AR85-CDI")) {
/* --- Direct collionisional ionization -- -------------- */
for (k = 0; k < Nspace; k++) {
cup = 0.0;
tg = atmos.T[k];
for (m = 0; m < Nrow; m++) {
xj = cdi[m][0] * EV / (KBOLTZMANN * tg);
fac = exp(-xj) * sqrt(xj);
fxj = cdi[m][1] + cdi[m][2] * (1.0+xj) +
(cdi[m][3] -xj*(cdi[m][1]+cdi[m][2]*(2.0+xj)))*fone(xj) +
cdi[m][4]*xj*ftwo(xj);
fxj = fxj * fac;
fac = 6.69E-7 / pow(cdi[m][0], 1.5);
cup += fac * fxj * CUBE(CM_TO_M);
}
if (cup < 0) cup = 0.0;
cup *= atmos.ne[k];
cdn = cup * atom->nstar[i][k]/atom->nstar[j][k];
atom->C[ij][k] += cdn;
atom->C[ji][k] += cup;
}
freeMatrix((void **) cdi);
} else if (!strcmp(keyword,"AR85-CEA") ) {
/* --- Autoionization -- -------------- */
for (k = 0; k < Nspace; k++) {
fac = ar85cea(i, j, k, atom);
cup = coeff[0]*fac*atmos.ne[k];
atom->C[ji][k] += cup;
}
} else if (!strcmp(keyword, "AR85-CHP")) {
/* --- Charge transfer with ionized hydrogen -- --------------- */
ar85t1 = coeff[0];
ar85t2 = coeff[1];
ar85a = coeff[2];
ar85b = coeff[3];
ar85c = coeff[4];
ar85d = coeff[5];
for (k = 0; k < Nspace; k++) {
if (atmos.T[k] >= ar85t1 && atmos.T[k] <= ar85t2) {
t4 = atmos.T[k] / 1.0E4;
cup = ar85a * 1e-9 * pow(t4,ar85b) * exp(-ar85c*t4) *
exp(-ar85d*EV/KBOLTZMANN/atmos.T[k])*atmos.H->n[5][k] *
CUBE(CM_TO_M);
atom->C[ji][k] += cup;
}
}
} else if (!strcmp(keyword, "AR85-CHH")) {
/* --- Charge transfer with neutral hydrogen -- -------------- */
ar85t1 = coeff[0];
ar85t2 = coeff[1];
ar85a = coeff[2];
ar85b = coeff[3];
ar85c = coeff[4];
ar85d = coeff[5];
for (k = 0; k < Nspace; k++) {
if (atmos.T[k] >= ar85t1 && atmos.T[k] <= ar85t2) {
t4 = atmos.T[k] / 1.0E4;
cdn = ar85a * 1E-9 * pow(t4, ar85b) * (1.0 + ar85c*exp(ar85d * t4)) *
atmos.H->n[0][k] * CUBE(CM_TO_M);
atom->C[ij][k] += cdn;
}
}
} else if (!strcmp(keyword, "BURGESS")) {
/* --- Electron impact ionzation following Burgess & Chidichimo 1983,
MNRAS, 203, 1269-1280
-- -------------- */
de = (atom->E[j] - atom->E[i]) / EV;
zz = atom->stage[i];
betab = 0.25 * ( sqrt( (100.0*zz +91.0) / (4.0*zz+3.0) ) -5.0 );
cbar = 2.3;
for (k = 0; k < Nspace; k++) {
dekt = de * EV / (KBOLTZMANN * atmos.T[k]);
dekt = MIN(500, dekt);
dekti = 1.0 / dekt;
wlog = log(1.0 + dekti);
wb = pow(wlog, betab / (1.0 + dekti));
cup = 2.1715E-8 * cbar * pow(13.6/de, 1.5) * sqrt(dekt) *
E1(dekt) * wb * atmos.ne[k] * CUBE(CM_TO_M);
/* --- Add fudge factor -- -------------- */
cup *= coeff[0];
cdn = cup * atom->nstar[i][k]/atom->nstar[j][k];
atom->C[ji][k] += cup;
atom->C[ij][k] += cdn;
}
}
}
if (status == EOF) {
sprintf(messageStr, "Reached end of datafile before all data was read");
Error(ERROR_LEVEL_1, routineName, messageStr);
}
/* --- Clean up -- -------------- */
free(C);
free(T);
free(coeff);
//fsetpos(fp_atom, &collpos); // Tiago: not needed now (but when to free fp_atom?!)
sprintf(labelStr, "Collision Rate %2s", atom->ID);
getCPU(3, TIME_POLL, labelStr);
}
/* ------- end ---------------------------- CollisionRate.c --------- */