diff --git a/include/cantera/kinetics/ElectrodeKinetics.h b/include/cantera/kinetics/ElectrodeKinetics.h index 86afdd8fd..229ab2baf 100644 --- a/include/cantera/kinetics/ElectrodeKinetics.h +++ b/include/cantera/kinetics/ElectrodeKinetics.h @@ -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_; diff --git a/src/kinetics/ElectrodeKinetics.cpp b/src/kinetics/ElectrodeKinetics.cpp index 455b6c11a..ebbfc5e26 100644 --- a/src/kinetics/ElectrodeKinetics.cpp +++ b/src/kinetics/ElectrodeKinetics.cpp @@ -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 & // 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::vectorm_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;