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Calvin.ipf
executable file
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Calvin.ipf
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#pragma TextEncoding = "UTF-8"
#pragma rtGlobals=3 // Use modern global access method and strict wave access.
#include "Calvin Command Reader"
#include "Calvin Student Communication"
#include "Calvin Spectrum to Color"
//-----------------------------------------------------------------------------------
//
// Calvin — Online Instruction in Acid-Base Chemistry
// © 2020, Melissa A. Hines
// Melissa.Hines@cornell.edu
//
//-----------------------------------------------------------------------------------
Menu "Calvin"
"Initialize Data"
"Start Watching Folder"
"Stop Watching Folder"
"Save Calvin", SaveExperiment
"-"
"Make All TA Folders"
"-"
"Change Maximum Number of Commands"
StrVarOrDefault("root:MAH:gCalvinAcidsMenuString","Disable Solid Acids"), /Q, ToggleSolidAcids()
StrVarOrDefault("root:MAH:gCalvinBuffersMenuString","Disable Buffers"), /Q, ToggleBuffers()
"-"
StrVarOrDefault("root:MAH:gCalvinHideMenuString","Show All Igor Menus"), /Q, ToggleMenus()
"-"
"Randomize Unknown Indicators and Save", RandomizeUnkIndicatorsAndSave()
"Randomize Unknown Acids and Save", RandomizeUnkAcidsAndSave()
"Randomize Unknow Buffers and Save", RandomizeUnkBuffersAndSave()
"-"
"Quit Calvin", Quit/Y
End
Function ChangeMaximumNumberOfCommands()
NVAR gMaxCommands = root:MAH:gMaxCommands
variable newMax = gMaxCommands
Prompt newMax, "Enter the new maximum number of commands: "
DoPrompt "Maximum Commands", newMax
if(V_flag)
return -1 // User cancelled
endif
gMaxCommands = newMax
End
Function ToggleSolidAcids()
NVAR gSolidAcidsEnabled = root:MAH:gSolidAcidsEnabled
SVAR menuString = root:MAH:gCalvinAcidsMenuString
if(gSolidAcidsEnabled)
gSolidAcidsEnabled = 0
menuString = "Enable Solid Acids"
else
gSolidAcidsEnabled = 1
menuString = "Disable Solid Acids"
endif
BuildMenu "Calvin"
End
Function ToggleBuffers()
NVAR gBuffersEnabled = root:MAH:gBuffersEnabled
SVAR menuString = root:MAH:gCalvinBuffersMenuString
if(gBuffersEnabled)
gBuffersEnabled = 0
menuString = "Enable Buffers"
else
gBuffersEnabled = 1
menuString = "Disable Buffers"
endif
BuildMenu "Calvin"
End
Function ToggleMenus()
NVAR gIgorMenusHidden = root:MAH:gIgorMenusHidden
SVAR menuString = root:MAH:gCalvinHideMenuString
if(gIgorMenusHidden)
gIgorMenusHidden = 0
menuString = "Hide All Igor Menus"
ShowIgorMenus
else
gIgorMenusHidden = 1
menuString = "Show All Igor Menus"
HideIgorMenus
endif
BuildMenu "Calvin"
End
// ---------------------------- Titrate Solution -----------------------------------------
Function Titrate_Beaker_from_Buret_until_Color_Change(intoBeakerName)
string intoBeakerName
variable indNum, thePH, startPct, curPct, err
// Test for valid flask
if(validVessel(intoBeakerName) < 1)
return -1
endif
if(reservedName(intoBeakerName))
WriteSimpleErrorToLog(kConflictingString, intoBeakerName)
return -1
endif
// Make sure there is a valid indicator in the solution and that pH measurement is working
indNum = indicatorNum(intoBeakerName)
if(indNum < 0)
WriteSimpleErrorToLog(kColorlessSolution, intoBeakerName)
return -1
endif
thePH = pH(intoBeakerName)
if(thePH < 0)
WriteSimpleErrorToLog(kPHerror, intoBeakerName)
return -1
endif
// We will use the protonation state of the indicator as a proxy for color change
Observe_Color(intoBeakerName)
Read_Buret_Volume()
WriteToLog("Performing titration now.\r")
startPct = pctIndProtonated(intoBeakerName)
do
err = Add_Soln_from_Buret(0.05, intoBeakerName)
if(err > 0)
curPct = pctIndProtonated(intoBeakerName)
endif
while((abs(curPct - startPct) < 0.40) && (err > 0))
Read_Buret_Volume()
Observe_Color(intoBeakerName)
Observe_Color_Range(lookupIndicatorName(indNum), indConc(intoBeakerName))
End
Function pctIndProtonated(vesselName)
string vesselName
return 1/(10^(pH(vesselName) - indPKa(indicatorNum(vesselName))) + 1)
End
// ---------------------------- pH Measurement -----------------------------------------
Function Measure_pH(vesselName)
string vesselName
string theNote, pH_string
if(!validVessel(vesselName))
WriteSimpleErrorToLog(kInvalidVesselForPh, vesselName)
return -1
endif
if(volume(vesselName) < 0.010)
WriteSimpleErrorToLog(kLowVolForPh, vesselName)
return -1 // This is OK because our solutions never get much below a pH of 1
endif
sprintf pH_string, "%.2f", pH(vesselName)
theNote = "The pH of " + vesselName + " is " + pH_string + "\r"
WriteToLog(theNote)
End
Function pH(vesselName)
string vesselName
variable HA, A, OH, H, theKa, xx // Actual concentrations in solution
wave vessel = $vesselName
OH = xsOHConc(vesselName)
H = xsHConc(vesselName)
if(H > 0)
if(testNoAcid(vesselName))
return -log(H)
else
HA = acidConc(vesselName)
theKa = acidKaFromName(acidName(vesselName))
return -log(H + (-theKa + sqrt(theKa^2 + 4 * theKa * HA))/2) // include contribution from HA
endif
elseif(OH > 0)
return 14 + log(OH)
elseif(testNoAcid(vesselName))
return 7.0
else
HA = acidConc(vesselName)
A = conjAcidConc(vesselName)
theKa = acidKaFromName(acidName(vesselName))
xx = (-(theKa + A) + sqrt((theKa + A)^2 + 4 * theKa * HA))/2
return -log(xx)
endif
End
// ---------------------------- Making and Adding to Beakers -----------------------------------------
Function Make_H2O_Reservoir()
variable pH
MakeEmptyVessel("H2O_Reservoir_mah")
SetMaxVolume("H2O_Reservoir_mah", 1000)
setVolume("H2O_Reservoir_mah", 1000)
pH = pH_of_H2O()
if(pH > 7.0)
setXsOHmoles("H2O_Reservoir_mah", 10^(pH-14) * 1000)
else
setXsHmoles("H2O_Reservoir_mah", 10^-pH * 1000)
endif
End
Function Make_50ml_Buret()
string theNote
// Make a wave to hold the solution
MakeEmptyVessel("Buret_mah")
SetMaxVolume("Buret_mah", 0.050)
return(1)
End
Function Make_New_Test_Tube(beakerName)
string beakerName
string theNote
// Make a wave to hold the solution
if(exists(beakerName) == 1)
WriteSimpleErrorToLog(kVesselExists, beakerName)
return(-1)
endif
if(reservedName(beakerName))
WriteSimpleErrorToLog(kConflictingString, beakerName)
return -1
endif
MakeEmptyVessel(beakerName)
SetMaxVolume(beakerName, 0.020)
theNote = "A clean test tube was named " + beakerName + ".\r"
WriteToLog(theNote)
return(1)
End
Function Make_New_100ml_Beaker(beakerName)
string beakerName
string theNote
// Make a wave to hold the solution
if(exists(beakerName) == 1)
WriteSimpleErrorToLog(kVesselExists, beakerName)
return(-1)
endif
if(reservedName(beakerName))
WriteSimpleErrorToLog(kConflictingString, beakerName)
return -1
endif
MakeEmptyVessel(beakerName)
SetMaxVolume(beakerName, 0.100)
theNote = "A clean 100 ml beaker was named " + beakerName + ".\r"
WriteToLog(theNote)
return(1)
End
Function Fill_Empty_100ml_Beaker_with_Unknown_Buffer(bufferName, beakerName)
string bufferName, beakerName
string theNote, theConc
variable bufferIndex
if(Make_New_100ml_Beaker(beakerName) < 0)
return -1
endif
bufferIndex = indexOfBuffer(bufferName)
if(bufferIndex < 0)
return(-1)
endif
wave/t realName = root:MAH:unk_buffer_acidRealName
setAcidName(beakerName, realName[bufferIndex])
setAcidMoles(beakerName, buffer_acidMolarity(bufferIndex) * 0.100)
setConjAcidMoles(beakerName, buffer_baseMolarity(bufferIndex) * 0.100)
setVolume(beakerName, 0.100)
// Write a note in the log
theNote = "The beaker " + beakerName + " was filled with 100 ml of " + bufferName + ".\r"
WriteToLog(theNote)
End
Function Fill_Empty_100ml_Beaker_with_Standardized_Buffer(beakerName)
string beakerName
string theNote, theConc
if(Make_New_100ml_Beaker(beakerName) < 0)
return -1
endif
setAcidName(beakerName, "Imidazolium")
setAcidMoles(beakerName, concStandardizedBuffer() * 0.100)
setConjAcidMoles(beakerName, concStandardizedBuffer() * 0.100)
setVolume(beakerName, 0.100)
// Write a note in the log
sprintf theConc, "%.4f", concStandardizedBuffer()
theNote = "The beaker " + beakerName + " was filled with 100 ml of standardized buffer\r"
theNote += " consisting of " + theConc + " M imidazole and " + theConc + " M imidazolium chloride.\r"
WriteToLog(theNote)
End
Function Fill_Empty_100ml_Beaker_with_Standardized_Base(beakerName)
string beakerName
string theNote, theConc
if(Make_New_100ml_Beaker(beakerName) < 0)
return -1
endif
setXsOHmoles(beakerName, concStandardizedOH() * 0.100)
setVolume(beakerName, 0.100)
sprintf theConc, "%.4f", concStandardizedOH()
theNote = "The beaker " + beakerName + " was filled with 100 ml of " + theConc + " M standardized NaOH.\r"
WriteToLog(theNote)
End
Function Fill_Empty_100ml_Beaker_with_Standardized_Acid(beakerName)
string beakerName
string theNote, theConc
if(Make_New_100ml_Beaker(beakerName) < 0)
return -1
endif
setXsHmoles(beakerName, concStandardizedH() * 0.100)
setVolume(beakerName, 0.100)
sprintf theConc, "%.4f", concStandardizedH()
theNote = "The beaker " + beakerName + " was filled with 100 ml of " + theConc + " M standardized HCl.\r"
WriteToLog(theNote)
End
Function Fill_Empty_100ml_Beaker_with_Standardized_KSCN(beakerName)
string beakerName
string theNote, theConc
if(Make_New_100ml_Beaker(beakerName) < 0)
return -1
endif
setSCNmoles(beakerName, concStandardizedSCN() * 0.100)
setVolume(beakerName, 0.100)
sprintf theConc, "%.3e", concStandardizedSCN()
theNote = "The beaker " + beakerName + " was filled with 100 ml of " + theConc + " M standardized KSCN.\r"
WriteToLog(theNote)
End
Function Fill_Empty_100ml_Beaker_with_Standardized_Ferric_Nitrate(beakerName)
string beakerName
string theNote, theConc
if(Make_New_100ml_Beaker(beakerName) < 0)
return -1
endif
setFeMoles(beakerName, concStandardizedFe() * 0.100)
setVolume(beakerName, 0.100)
sprintf theConc, "%.4f", concStandardizedFe()
theNote = "The beaker " + beakerName + " was filled with 100 ml of " + theConc + " M standardized ferric nitrate.\r"
WriteToLog(theNote)
End
Function Fill_Empty_100ml_Beaker_with_Standardized_Crystal_Violet(beakerName)
string beakerName
string theNote, theConc
if(Make_New_100ml_Beaker(beakerName) < 0)
return -1
endif
setCVMoles(beakerName, concStandardizedCV() * 0.100)
setVolume(beakerName, 0.100)
sprintf theConc, "%.3e", concStandardizedCV()
theNote = "The beaker " + beakerName + " was filled with 100 ml of " + theConc + " M standardized crystal violet.\r"
WriteToLog(theNote)
End
Function Fill_Empty_100ml_Beaker_with_H2O(beakerName)
string beakerName
string theNote
variable pH
if(Make_New_100ml_Beaker(beakerName) < 0)
return -1
endif
AddSolnToSoln("H2O_Reservoir_mah", beakerName, 0.100)
theNote = "The beaker " + beakerName + " was filled with 100 ml of H2O.\r"
WriteToLog(theNote)
End
Function Make_New_25ml_Volumetric_Flask(flaskName)
string flaskName
variable err
err = Make_New_Volumetric_Flask(flaskName, 0.025)
return err
End
Function Make_New_50ml_Volumetric_Flask(flaskName)
string flaskName
variable err
err = Make_New_Volumetric_Flask(flaskName, 0.050)
return err
End
Function Make_New_Volumetric_Flask(flaskName, volume) // Volume in liters
string flaskName
variable volume
string theNote
// Make a wave to hold the solution
if(exists(flaskName) == 1)
WriteSimpleErrorToLog(kVesselExists, flaskName)
return(-1)
endif
if(reservedName(flaskName))
WriteSimpleErrorToLog(kConflictingString, "vesselName")
return -1
endif
MakeEmptyVessel(flaskName)
SetMaxVolume(flaskName, volume)
theNote = "A clean " + num2istr(volume * 1000) + " ml volumetric flask was named " + flaskName + ".\r"
WriteToLog(theNote)
return(1)
End
Function Add_Solid_Acid_to_Vessel(targetMass, nameOfAcid, vesselName)
string vesselName, nameOfAcid
variable targetMass
string theNote, keyValue
variable actualMass, iMolxsOH, actualMoles, err
NVAR useErrors = root:MAH:useErrors
if(reservedName(vesselName))
WriteSimpleErrorToLog(kConflictingString, vesselName)
return -1
endif
if(validVessel(vesselName) < 1)
return -1
endif
if(targetMass < 0)
WriteSimpleErrorToLog(kNegativeMass, "")
return -1
endif
if(targetMass >= 4.0)
WriteSimpleErrorToLog(kTooMuchAcid, num2str(targetMass))
return -1
endif
if(!testNoAcid(vesselName))
WriteSimpleErrorToLog(kConflictingAcid, acidName(vesselName))
return(-1)
endif
if(indexOfAcid(nameOfAcid) < 0)
return(-1)
endif
if(useErrors)
actualMass = (1 + enoise(0.05)) * targetMass // in g
else
actualMass = targetMass
endif
actualMoles = actualMass/molarMass(nameOfAcid)
setAcidName(vesselName, nameOfAcid)
setAcidMoles(vesselName, actualMoles)
iMolxsOH = xsOHMoles(vesselName)
if(iMolxsOH > actualMoles)
setConjAcidMoles(vesselName, actualMoles)
setXsOHMoles(vesselName, iMolxsOH - actualMoles)
else
setAcidMoles(vesselName, actualMoles - iMolxsOH)
setConjAcidMoles(vesselName, iMolxsOH)
setXsOHMoles(vesselName, 0)
endif
// Increase the total volume by the volume of the salt using benzoic acid as an exemplar
err = setVolume(vesselName, volume(vesselName) + actualMass/1.27/1000) // density in g/cm3
if(err < 0)
return -1
else
// Write a note in the log
sprintf keyValue, "%.4f", actualMass
theNote = "Added " + keyValue + " g of " + nameOfAcid + " to " + vesselName + ".\r"
WriteToLog(theNote)
return 1
endif
End
Function Fill_Volumetric_Flask_with_H2O(flaskName)
string flaskName
variable err, iMolxsOH, newVol, oldVol, addedMolOH, iMolAcid, iMolConjAcid
string theNote
wave H2O_Reservoir_mah
// Test for valid flask
if(validVolumetricFlask(flaskName) < 0.1)
return -1
elseif(volume(flaskName) >= 0.99 * maxVolume(flaskName))
WriteSimpleErrorToLog(kFlaskFull, flaskName)
return 1
else
oldVol = volume(flaskName)
newVol = maxVolume(flaskName) + VolumeError("vol_flask", maxVolume(flaskName))
AddSolnToSoln("H2O_Reservoir_mah", flaskName, newVol - oldVol)
theNote = "The flask named " + flaskName + " was filled with H2O to the mark.\r"
WriteToLog(theNote)
return 1
endif
End
constant k_acidMolIndex = 0
constant k_conjAcidMolIndex = 1
constant k_xsOHmolIndex = 2
constant k_xsHMolIndex = 3
constant k_solnVolIndex = 4
constant k_indicatorIndex = 5
constant k_maxVolIndex = 6
constant k_indMolIndex = 7
constant k_FeMolIndex = 8
constant k_SCNmolIndex = 9
constant k_CVmolIndex = 10 // Crystal Violet
Function MakeEmptyVessel(vesselName)
string vesselName
string keyStr
make/n=11 $vesselName
wave beaker = $vesselName
keyStr = "acidName:" + "none" + ";"
Note/NOCR $vesselName, keyStr
beaker = 0
setIndicatorNum(vesselName, -1)
End
Function Clean_and_Dry(vesselName)
string vesselName
string theNote
if(reservedName(vesselName))
WriteSimpleErrorToLog(kConflictingString, "vesselName")
return -1
endif
if(!validVessel(VesselName))
return -1
endif
KillWaves $vesselName
theNote = "Cleaned " + vesselName + ", erased its name, and returned it to storage.\r"
WriteToLog(theNote)
End
Function Observe_Volume(vesselName)
string vesselName
string theNote
if(!validVessel(VesselName))
return -1
endif
theNote = "By eye, the vessel contains ~" + num2str(round((1000 * volume(vesselName)))) + "ml of solution.\r"
WriteToLog(theNote)
End
// ---------------------------- The Buret -----------------------------------------
Function Fill_50ml_Buret(fromVesselName)
string fromVesselName
variable volToBeTransferred
string theNote
// Clean the buret of existing solution
wave Buret_mah
Buret_mah = 0
setAcidName("Buret_mah", "none")
setIndicatorNum("Buret_mah", -1)
setMaxVolume("Buret_mah", 0.050)
// Do the transfer
if(Prepare_For_Transfer(fromVesselName, "Buret_mah") < 0)
return -1
endif
volToBeTransferred = (volume(fromVesselName) >= 0.050) ? 0.0495 + enoise(0.0005) : volume(fromVesselName)
AddSolnToSoln(fromVesselName, "Buret_mah", volToBeTransferred)
theNote = "Added solution from " + fromVesselName + " to your 50 ml buret.\r"
WriteToLog(theNote)
Read_Buret_Volume()
return 1
End
Function Read_Buret_Volume()
string theNote, output
sprintf output, "%.2f", 50 - HalfRound(volume("Buret_mah") * 1000, 2)
theNote = "The buret now reads " + output + " ml.\r"
WriteToLog(theNote)
End
Function Add_Soln_from_Buret(targetVolume, toVesselName)
string toVesselName
variable targetVolume
variable err
if(reservedName(toVesselName))
WriteSimpleErrorToLog(kConflictingString, toVesselName)
return -1
endif
if(validVessel(toVesselName) < 1)
return -1
endif
targetVolume /= 1000
if(volume("Buret_mah") <= 0.00005)
WriteSimpleErrorToLog(kBuretEmpty, "")
return -1
endif
if(maxVolume(toVesselName) < volume(toVesselName) + targetVolume)
WriteSimpleErrorToLog(kBeakerFull, "")
return -1
endif
err = Transfer_Soln("Buret_mah", toVesselName, targetVolume, "buret")
return err
End
// ---------------------------- Transferring Solutions -----------------------------------------
Function Transfer_Soln_with_5ml_pipette(fromVesselName, toVesselName)
string fromVesselName, toVesselName
variable err
err = Transfer_Soln_with_pipette(fromVesselName, toVesselName, 0.005)
return err
End
Function Transfer_Soln_with_10ml_pipette(fromVesselName, toVesselName)
string fromVesselName, toVesselName
variable err
err = Transfer_Soln_with_pipette(fromVesselName, toVesselName, 0.010)
return err
End
Function Transfer_Soln_with_20ml_pipette(fromVesselName, toVesselName)
string fromVesselName, toVesselName
variable err
err = Transfer_Soln_with_pipette(fromVesselName, toVesselName, 0.020)
return err
End
Function Transfer_Soln_with_pipette(fromVesselName, toVesselName, volume) // Volume in liters
string fromVesselName, toVesselName
variable volume
variable err
string theNote
if(reservedName(toVesselName))
WriteSimpleErrorToLog(kConflictingString, toVesselName)
return -1
endif
err = Transfer_Soln(fromVesselName, toVesselName, volume, "pipette")
if(err > 0)
theNote = "Pipetted " + num2istr(volume * 1000) + " ml of solution from " + fromVesselName + " to " + toVesselName + ".\r"
WriteToLog(theNote)
endif
return err
End
Function Transfer_Soln_with_Graduated_Cylinder(targetVolume, fromVesselName, toVesselName)
string fromVesselName, toVesselName
variable targetVolume
variable err, volToBeTransferred, nextTransfer
string theNote
if(reservedName(toVesselName))
WriteSimpleErrorToLog(kConflictingString, toVesselName)
return -1
endif
targetVolume /= 1000
volToBeTransferred = targetVolume
if(volToBeTransferred <= 0.010)
err = Transfer_Soln(fromVesselName, toVesselName, volToBeTransferred, "graduated_cylinder")
if(err > 0)
WriteGradCylNoteToLog(fromVesselName, toVesselName,volToBeTransferred, 10)
endif
else
do
nextTransfer = volToBeTransferred > 0.025 ? 0.025 : volToBeTransferred
err = Transfer_Soln(fromVesselName, toVesselName, nextTransfer, "graduated_cylinder")
if(err > 0)
WriteGradCylNoteToLog(fromVesselName, toVesselName,nextTransfer, 25)
endif
volToBeTransferred -= nextTransfer
while((volToBeTransferred > 0) && (err > 0))
endif
return err
End
Function WriteGradCylNoteToLog(fromVesselName, toVesselName,volTransferred, cylVolume)
string fromVesselName, toVesselName
variable volTransferred, cylVolume
string theNote
theNote = "Used a " + num2istr(cylVolume) + " ml graduated cylinder to transfer " + num2str(1000 * volTransferred)
theNote += " ml of solution from " + fromVesselName + " to " + toVesselName + ".\r"
WriteToLog(theNote)
End
Function Prepare_For_Transfer(fromVesselName, toVesselName) // Checks for compatible vessels
string fromVesselName, toVesselName
if(!validVessel(fromVesselName))
return -1
endif
if(!validVessel(toVesselName))
return -1
endif
if(CmpStr(fromVesselName, toVesselName, 0) == 0)
WriteSimpleErrorToLog(kTransferToSameVessel, fromVesselName)
return -1
endif
if(compatibleAcids(fromVesselName, toVesselName) < 0)
return -1
endif
if(compatibleIndicators(fromVesselName, toVesselName) < 0)
return -1
endif
return 1
End
Function Transfer_Soln(fromVesselName, toVesselName, targetVol, method)
string fromVesselName, toVesselName, method
variable targetVol
string theNote
variable actualVolume
if(Prepare_For_Transfer(fromVesselName, toVesselName) < 0)
return -1
endif
if(volume(fromVesselName) < actualVolume)
WriteSimpleErrorToLog(kInsufficientVol, fromVesselName)
return -1
endif
if(targetVol < 0)
WriteSimpleErrorToLog(kNegativeVolume, fromVesselName)
return -1
endif
actualVolume = targetVol + VolumeError(method, targetVol)
if(actualVolume < 0) // The target volume was greater that 0, but the error made the volume negative
actualVolume = 1/1000/20 + abs(enoise(2/1000/20)) // Somewhere between 1 and 3 drops
endif
actualVolume = actualVolume > volume(fromVesselName) ? volume(fromVesselName) : actualVolume
if(1.02 * maxVolume(toVesselName) < volume(toVesselName) + actualVolume)
WriteSimpleErrorToLog(kOverflow, toVesselName)
wave overflowedVessel = $toVesselName
KillWaves overflowedVessel
setVolume(fromVesselName, volume(fromVesselName) - targetVol)
return -1
endif
AddSolnToSoln(fromVesselName, toVesselName, actualVolume)
return 1
End
Function AddSolnToSoln(fromVesselName, toVesselName, actualVolume) // Do error checking in calling function
string fromVesselName, toVesselName
variable actualVolume
variable iVol, iMolHA, iMolA, iMolxsOH, iMolxsH, iMolH, newIndNum, iMolInd, iMolFe, iMolSCN, iMolCV
variable newVol, newMol_HA, newMol_A, newMol_xsOH, newMol_xsH
variable finished = 0
wave vessel = $toVesselName
if(testNoAcid(toVesselName))
setAcidName(toVesselName, acidName(fromVesselName))
endif
iMolHA = acidConc(fromVesselName) * actualVolume
iMolA = conjAcidConc(fromVesselName) * actualVolume
iMolxsH = xsHconc(fromVesselName) * actualVolume
iMolxsOH = xsOHConc(fromVesselName) * actualVolume
iMolInd = indConc(fromVesselName) * actualVolume
iMolFe = FeConc(fromVesselName) * actualVolume
iMolSCN = SCNconc(fromVesselName) * actualVolume
iMolCV = CVconc(fromVesselName) * actualVolume
// First add all moles from first vessel to second vessel
setAcidMoles(toVesselName, acidMoles(toVesselName) + iMolHA)
setConjAcidMoles(toVesselName, conjAcidMoles(toVesselName) + iMolA)
setXsHMoles(toVesselName, xsHMoles(toVesselName) + iMolxsH)
setXsOHMoles(toVesselName, xsOHMoles(toVesselName) + iMolxsOH)
setIndMoles(toVesselName, indMoles(toVesselName) + iMolInd)
setFeMoles(toVesselName, FeMoles(toVesselName) + iMolFe)
setSCNmoles(toVesselName, SCNmoles(toVesselName) + iMolSCN)
setCVmoles(toVesselName, CVmoles(toVesselName) + iMolCV)
// Now subtract moles from first vessel
setAcidMoles(fromVesselName, acidMoles(fromVesselName) - iMolHA)
setConjAcidMoles(fromVesselName, conjAcidMoles(fromVesselName) - iMolA)
setXsHMoles(fromVesselName, xsHMoles(fromVesselName) - iMolxsH)
setXsOHMoles(fromVesselName, xsOHMoles(fromVesselName) - iMolxsOH)
setIndMoles(fromVesselName, indMoles(fromVesselName) - iMolInd)
setFeMoles(fromVesselName, FeMoles(fromVesselName) - iMolFe)
setSCNmoles(fromVesselName, SCNmoles(fromVesselName) - iMolSCN)
setCVmoles(fromVesselName, CVmoles(fromVesselName) - iMolCV)
// Update volumes, because they are needed for upcoming conc calculations
setVolume(fromVesselName, volume(fromVesselName) - actualVolume)
setVolume(toVesselName, volume(toVesselName) + actualVolume)
// Now react things in second vessel
iMolHA = acidMoles(toVesselName)
iMolA = conjAcidMoles(toVesselName)
iMolxsH = xsHmoles(toVesselName)
iMolxsOH = xsOHmoles(toVesselName)
if(iMolxsH > iMolxsOH)
setXsOHMoles(toVesselName, 0)
iMolxsH -= iMolxsOH
if(iMolA > iMolxsH)
setConjAcidMoles(toVesselName, iMolA - iMolxsH)
setAcidMoles(toVesselName, acidMoles(toVesselName) + iMolxsH)
setXsHMoles(toVesselName, 0)
else
setXsHMoles(toVesselName, iMolxsH - iMolA)
setConjAcidMoles(toVesselName, 0)
setAcidMoles(toVesselName, acidMoles(toVesselName) + iMolA)
endif
else
setXsHMoles(toVesselName, 0)
iMolXsOH -= iMolXsH
if(iMolHA > iMolXsOH)
setAcidMoles(toVesselName, iMolHA - iMolXsOH)
setConjAcidMoles(toVesselName, conjAcidMoles(toVesselName) + iMolXsOH)
setXsOHmoles(toVesselName, 0)
else
setAcidMoles(toVesselName, 0)
setConjAcidMoles(toVesselName, conjAcidMoles(toVesselName) + iMolHA)
setXsOHmoles(toVesselName, iMolXsOH - iMolHA)
endif
endif
// Fix the indicator num. Already checked compatibility
newIndNum = indicatorNum(fromVesselName) > indicatorNum(toVesselName) ? indicatorNum(fromVesselName) : indicatorNum(toVesselName)
setIndicatorNum(toVesselName, newIndNum)
End
Function Add_One_Drop_of_Indicator(indicatorName, vesselName)
string vesselName, indicatorName
string theNote
variable indNum
// Test for valid indicator
if(abs(cmpstr(indicatorName, "crystal_violet")) < 0.1)
WriteSimpleErrorToLog(kCrystalVioletError, "")
return -1
endif
indNum = indexOfIndicator(indicatorName)
if(indNum < 0)
return -1
endif
// Test for valid flask
if(reservedName(vesselName))
WriteSimpleErrorToLog(kConflictingString, vesselName)
return -1
endif
if(validVessel(vesselName) < 1)
return -1
endif
if(testIndicator(vesselName, indicatorName) < 0)
WriteSimpleErrorToLog(kConflictingIndicator, lookupIndicatorName(indicatorNum(vesselName)))
return -1
endif
setIndicatorNum(vesselName, lookupIndicatorNum(indicatorName))
setIndMoles(vesselName, indMoles(vesselName) + 1.0 * 0.050)
theNote = "Added one drop of " + indicatorName + " to " + vesselName + ".\r"
WriteToLog(theNote)
End
// ---------------------------- Color and Spectroscopy -------------------------------------
Function Observe_Color(vesselName)
string vesselName
variable indNum, thePH, ironConc, theCVconc
string theNote, topWindow
STRUCT color theColor
if(validVessel(vesselName) < 1)
return -1
endif
// Make sure there is a valid indicator in the solution
indNum = indicatorNum(vesselName)
ironConc = FeConc(vesselName)
theCVconc = CVconc(vesselName)
if((indNum < 0) && !(ironConc > 1e-6) && !(theCVconc > 1e-7))
WriteSimpleErrorToLog(kColorlessSolution, vesselName)
return -1
endif
thePH = pH(vesselName)
if(thePH < 0)
WriteSimpleErrorToLog(kPHerror, vesselName)
return -1
endif
// Generate the spectrum and the color and write it to the notebook
measureColor(vesselName, theColor)
make/n=(1,1,4)/o root:MAH:colorSquare
wave colorSquare = root:MAH:colorSquare
colorSquare[0][0][0] = theColor.rr
colorSquare[0][0][1] = theColor.gg
colorSquare[0][0][2] = theColor.bb
colorSquare[0][0][3] = theColor.aa
GraphColorSquare()
topWindow = WinList("*", "", "WIN:")
theNote = "The color of the solution in " + vesselName + " is:\r"
WriteToLog(theNote)
WriteTopGraphToLog()
WriteBlankLineToLog()
KillWindow $topWindow
End
Function measureColor(vesselName, theColor) // No error checking
string vesselName
STRUCT color &theColor
MakeSpectrum(vesselName)
wave spectrum = root:MAH:curSpectrum
calcColorOfSpectrum(spectrum, theColor, 1)
End
Function Observe_Color_Range(indicatorName, relativeConcentration)
string indicatorName
variable relativeConcentration
// Make sure this is a valid indicator
variable indNum, ii = 0
string theNote, topWindow
STRUCT color theColor
if(abs(cmpstr(indicatorName, "crystal_violet")) < 0.1)
WriteSimpleErrorToLog(kCrystalVioletNotIndicator, "")
return -1
endif
indNum = indexOfIndicator(indicatorName)
if(indNum < 0)
WriteSimpleErrorToLog(kMissingIndicator, indicatorName)
return -1
endif
// Generate the swatch
make/n=(80,1,4)/o root:MAH:colorSwatch
wave swatch = root:MAH:colorSwatch
SetScale/P x indPKA(indNum)-2, 4/80,"", swatch
MakeIndSpectrum(indNum, 1.0, indPKa(indNum), pnt2x(swatch, ii))
do
MakeIndSpectrum(indNum, relativeConcentration, indPKa(indNum), pnt2x(swatch, ii))
wave spectrum = root:MAH:curSpectrum
calcColorOfSpectrum(spectrum, theColor, 1)
swatch[ii][0][0] = theColor.rr
swatch[ii][0][1] = theColor.gg
swatch[ii][0][2] = theColor.bb
swatch[ii][0][3] = theColor.aa
ii += 1
while(ii < DimSize(swatch, 0))
SetScale/P x -2, 4/80,"", swatch
// Add to log
GraphSwatch()
topWindow = WinList("*", "", "WIN:")
theNote = "The color range of the indicator " + indicatorName + " is:\r"