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Changed the name of a few internal variables.

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This commit is contained in:
Harry Moffat 2014-10-10 01:40:40 +00:00
parent b50ab99326
commit e5c3377dd2
2 changed files with 33 additions and 33 deletions
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8
include/cantera/kinetics/ElectrodeKinetics.h
View file

@ -64,7 +64,7 @@ public:
//! Identify the metal phase and the electrons species
/*!
* We fill in the internal variables, metalPhaseRS_ and kElectronRS_ here
* We fill in the internal variables, metalPhaseIndex_ and kElectronIndex_ here
*/
void identifyMetalPhase();
@ -108,13 +108,13 @@ public:
protected:
//! Index of the metal phase in the list of phases for this kinetics object. This is the electron phase.
size_t metalPhaseRS_;
size_t metalPhaseIndex_;
//! Index of the solution phase in the list of phases for this surface
size_t solnPhaseRS_;
size_t solnPhaseIndex_;
//! Index of the electrons species in the list of species for this surface kinetics, if none set it to -1
size_t kElectronRS_;
size_t kElectronIndex_;

58
src/kinetics/ElectrodeKinetics.cpp
View file

@ -15,9 +15,9 @@ namespace Cantera
//============================================================================================================================
ElectrodeKinetics::ElectrodeKinetics(thermo_t* thermo) :
InterfaceKinetics(thermo),
metalPhaseRS_(npos),
solnPhaseRS_(npos),
kElectronRS_(npos)
metalPhaseIndex_(npos),
solnPhaseIndex_(npos),
kElectronIndex_(npos)
{
}
@ -48,9 +48,9 @@ ElectrodeKinetics& ElectrodeKinetics::operator=(const ElectrodeKinetics& right)
InterfaceKinetics::operator=(right);
metalPhaseRS_ = right.metalPhaseRS_;
solnPhaseRS_ = right.solnPhaseRS_;
kElectronRS_ = right.kElectronRS_;
metalPhaseIndex_ = right.metalPhaseIndex_;
solnPhaseIndex_ = right.solnPhaseIndex_;
kElectronIndex_ = right.kElectronIndex_;
return *this;
}
@ -70,9 +70,9 @@ Kinetics* ElectrodeKinetics::duplMyselfAsKinetics(const std::vector<thermo_t*> &
// Identify the metal phase and the electron species
void ElectrodeKinetics::identifyMetalPhase()
{
metalPhaseRS_ = npos;
kElectronRS_ = npos;
solnPhaseRS_ = npos;
metalPhaseIndex_ = npos;
kElectronIndex_ = npos;
solnPhaseIndex_ = npos;
size_t np = nPhases();
//
// Identify the metal phase as the phase with the electron species (element index of 1 for element E
@ -95,8 +95,8 @@ void ElectrodeKinetics::identifyMetalPhase()
}
}
if (ifound == 1) {
metalPhaseRS_ = iph;
kElectronRS_ = m_start[iph] + k;
metalPhaseIndex_ = iph;
kElectronIndex_ = m_start[iph] + k;
}
}
}
@ -107,12 +107,12 @@ void ElectrodeKinetics::identifyMetalPhase()
//
/*
* Haven't filled in reactions yet when this is called, unlike previous treatment.
if (iph != metalPhaseRS_) {
if (iph != metalPhaseIndex_) {
for (size_t i = 0; i < m_ii; i++) {
RxnMolChange* rmc = rmcVector[i];
if (rmc->m_phaseChargeChange[iph] != 0) {
if (rmc->m_phaseDims[iph] == 3) {
solnPhaseRS_ = iph;
solnPhaseIndex_ = iph;
break;
}
}
@ -122,14 +122,14 @@ void ElectrodeKinetics::identifyMetalPhase()
//
// New method is to find the first multispecies 3D phase with charged species as the solution phase
//
if (iph != metalPhaseRS_) {
if (iph != metalPhaseIndex_) {
ThermoPhase& tp =*( m_thermo[iph]);
size_t nsp = tp.nSpecies();
size_t nd = tp.nDim();
if (nd == 3 && nsp > 1) {
for (size_t k = 0; k < nsp; k++) {
if (tp.charge(k) != 0.0) {
solnPhaseRS_ = iph;
solnPhaseIndex_ = iph;
string ss = tp.name();
// cout << "solution phase = "<< ss << endl;
break;
@ -146,11 +146,11 @@ void ElectrodeKinetics::identifyMetalPhase()
// electrons.
//
/*
if (metalPhaseRS_ == npos) {
if (metalPhaseIndex_ == npos) {
throw CanteraError("ElectrodeKinetics::identifyMetalPhase()",
"Can't find electron phase -> treating this as an error right now");
}
if (solnPhaseRS_ == npos) {
if (solnPhaseIndex_ == npos) {
throw CanteraError("ElectrodeKinetics::identifyMetalPhase()",
"Can't find solution phase -> treating this as an error right now");
}
@ -231,9 +231,9 @@ void ElectrodeKinetics::updateROP()
// Calculate the stoichiometric eletrons for the reaction
// This is the number of electrons that are the net products of the reaction
//
AssertThrow(metalPhaseRS_ != npos, "ElectrodeKinetics::updateROP()");
AssertThrow(metalPhaseIndex_ != npos, "ElectrodeKinetics::updateROP()");
double nStoichElectrons = - rmc->m_phaseChargeChange[metalPhaseRS_];
double nStoichElectrons = - rmc->m_phaseChargeChange[metalPhaseIndex_];
//
// Calculate the open circuit voltage of the reaction
//
@ -246,7 +246,7 @@ void ElectrodeKinetics::updateROP()
//
// Calculate the voltage of the electrode.
//
double voltage = m_phi[metalPhaseRS_] - m_phi[solnPhaseRS_];
double voltage = m_phi[metalPhaseIndex_] - m_phi[solnPhaseIndex_];
//
// Calculate the overpotential
//
@ -325,7 +325,7 @@ void ElectrodeKinetics::updateROP()
// Calculate the stoichiometric eletrons for the reaction
// This is the number of electrons that are the net products of the reaction
//
double nStoichElectrons = - rmc->m_phaseChargeChange[metalPhaseRS_];
double nStoichElectrons = - rmc->m_phaseChargeChange[metalPhaseIndex_];
//
// Calculate the open circuit voltage of the reaction
//
@ -339,7 +339,7 @@ void ElectrodeKinetics::updateROP()
//
// Calculate the voltage of the electrode.
//
double voltage = m_phi[metalPhaseRS_] - m_phi[solnPhaseRS_];
double voltage = m_phi[metalPhaseIndex_] - m_phi[solnPhaseIndex_];
//
// Calculate the overpotential
//
@ -495,7 +495,7 @@ void ElectrodeKinetics::determineFwdOrdersBV(ReactionData& rdata, std::vector<do
for (size_t j = 0; j < rdata.reactants.size(); j++) {
size_t kkin = rdata.reactants[j];
double oo = rdata.rstoich[j];
if (kkin != kElectronRS_) {
if (kkin != kElectronIndex_) {
fwdFullorders[kkin] += betaf * oo;
if (abs(fwdFullorders[kkin]) < 0.00001) {
fwdFullorders[kkin] = 0.0;
@ -507,7 +507,7 @@ void ElectrodeKinetics::determineFwdOrdersBV(ReactionData& rdata, std::vector<do
for (size_t j = 0; j < rdata.products.size(); j++) {
size_t kkin = rdata.products[j];
double oo = rdata.pstoich[j];
if (kkin != kElectronRS_) {
if (kkin != kElectronIndex_) {
fwdFullorders[kkin] -= betaf * oo;
if (abs(fwdFullorders[kkin]) < 0.00001) {
fwdFullorders[kkin] = 0.0;
@ -719,7 +719,7 @@ double ElectrodeKinetics::openCircuitVoltage(size_t irxn)
// Look up the net number of electrons that are products.
//
RxnMolChange* rmc = rmcVector[irxn];
double nStoichElectrons = - rmc->m_phaseChargeChange[metalPhaseRS_];
double nStoichElectrons = - rmc->m_phaseChargeChange[metalPhaseIndex_];
double OCV = 0.0;
if (nStoichElectrons != 0.0) {
OCV = m_deltaG[irxn] / Faraday / nStoichElectrons;
@ -751,12 +751,12 @@ getExchangeCurrentDensityFormulation(size_t irxn,
RxnMolChange* rmc = rmcVector[irxn];
// could also get this from reactant and product stoichiometry, maybe
if (metalPhaseRS_ == npos) {
if (metalPhaseIndex_ == npos) {
nStoichElectrons = 0;
OCV = 0.0;
return false;
} else {
nStoichElectrons = - rmc->m_phaseChargeChange[metalPhaseRS_];
nStoichElectrons = - rmc->m_phaseChargeChange[metalPhaseIndex_];
}
@ -856,8 +856,8 @@ getExchangeCurrentDensityFormulation(size_t irxn,
io = iO;
resistivity = m_ctrxn_resistivity_[iBeta];
double phiMetal = m_thermo[metalPhaseRS_]->electricPotential();
double phiSoln = m_thermo[solnPhaseRS_]->electricPotential();
double phiMetal = m_thermo[metalPhaseIndex_]->electricPotential();
double phiSoln = m_thermo[solnPhaseIndex_]->electricPotential();
double E = phiMetal - phiSoln;
overPotential = E - OCV;