Use ThermoPhase::RT() where convenient

include/cantera/thermo/IdealGasPhase.h

@@ -346,7 +346,7 @@ class IdealGasPhase: public ThermoPhase
      * \see SpeciesThermo
      */
     virtual doublereal enthalpy_mole() const {
-        return GasConstant * temperature() * mean_X(enthalpy_RT_ref());
+        return RT() * mean_X(enthalpy_RT_ref());
     }
 
     /**
@@ -404,7 +404,7 @@ class IdealGasPhase: public ThermoPhase
      * @param p Pressure (Pa)
      */
     virtual void setPressure(doublereal p) {
-        setDensity(p * meanMolecularWeight() / (GasConstant * temperature()));
+        setDensity(p * meanMolecularWeight() / RT());
     }
 
     //! Set the density and pressure at constant composition.

src/kinetics/AqueousKinetics.cpp

@@ -57,7 +57,7 @@ void AqueousKinetics::updateKc()
     // compute Delta G^0 for all reversible reactions
     getRevReactionDelta(m_grt.data(), m_rkcn.data());
 
-    doublereal rrt = 1.0/(GasConstant * thermo().temperature());
+    doublereal rrt = 1.0 / thermo().RT();
     for (size_t i = 0; i < m_revindex.size(); i++) {
         size_t irxn = m_revindex[i];
         m_rkcn[irxn] = exp(m_rkcn[irxn]*rrt);
@@ -82,7 +82,7 @@ void AqueousKinetics::getEquilibriumConstants(doublereal* kc)
     // compute Delta G^0 for all reactions
     getReactionDelta(m_grt.data(), m_rkcn.data());
 
-    doublereal rrt = 1.0/(GasConstant * thermo().temperature());
+    doublereal rrt = 1.0 / thermo().RT();
     for (size_t i = 0; i < nReactions(); i++) {
         kc[i] = exp(-m_rkcn[i]*rrt);
     }

src/kinetics/GasKinetics.cpp

@@ -103,7 +103,7 @@ void GasKinetics::updateKc()
     // compute Delta G^0 for all reversible reactions
     getRevReactionDelta(m_grt.data(), m_rkcn.data());
 
-    doublereal rrt = 1.0/(GasConstant * thermo().temperature());
+    doublereal rrt = 1.0 / thermo().RT();
     for (size_t i = 0; i < m_revindex.size(); i++) {
         size_t irxn = m_revindex[i];
         m_rkcn[irxn] = std::min(exp(m_rkcn[irxn]*rrt - m_dn[irxn]*m_logStandConc),
@@ -124,7 +124,7 @@ void GasKinetics::getEquilibriumConstants(doublereal* kc)
     // compute Delta G^0 for all reactions
     getReactionDelta(m_grt.data(), m_rkcn.data());
 
-    doublereal rrt = 1.0/(GasConstant * thermo().temperature());
+    doublereal rrt = 1.0 / thermo().RT();
     for (size_t i = 0; i < nReactions(); i++) {
         kc[i] = exp(-m_rkcn[i]*rrt + m_dn[i]*m_logStandConc);
     }

src/kinetics/InterfaceKinetics.cpp

@@ -205,7 +205,7 @@ void InterfaceKinetics::updateKc()
          * and m_mu0_Kc[]
          */
         updateMu0();
-        doublereal rrt = 1.0 / (GasConstant * thermo(0).temperature());
+        doublereal rrt = 1.0 / thermo(0).RT();
 
         // compute Delta mu^0 for all reversible reactions
         getRevReactionDelta(m_mu0_Kc.data(), m_rkcn.data());
@@ -281,7 +281,7 @@ void InterfaceKinetics::checkPartialEquil()
 void InterfaceKinetics::getEquilibriumConstants(doublereal* kc)
 {
     updateMu0();
-    doublereal rrt = 1.0 / (GasConstant * thermo(0).temperature());
+    doublereal rrt = 1.0 / thermo(0).RT();
     std::fill(kc, kc + nReactions(), 0.0);
     getReactionDelta(m_mu0_Kc.data(), kc);
     for (size_t i = 0; i < nReactions(); i++) {

src/thermo/ConstDensityThermo.cpp

@@ -47,8 +47,7 @@ int ConstDensityThermo::eosType() const
 doublereal ConstDensityThermo::enthalpy_mole() const
 {
     doublereal p0 = m_spthermo->refPressure();
-    return GasConstant * temperature() *
-           mean_X(enthalpy_RT()) + (pressure() - p0)/molarDensity();
+    return RT() * mean_X(enthalpy_RT()) + (pressure() - p0)/molarDensity();
 }
 
 doublereal ConstDensityThermo::entropy_mole() const

src/thermo/FixedChemPotSSTP.cpp

@@ -240,7 +240,7 @@ void FixedChemPotSSTP::initThermoXML(XML_Node& phaseNode, const std::string& id_
         chemPot_ = val;
     } else {
         _updateThermo();
-        chemPot_ = (m_h0_RT[0] - m_s0_R[0]) * GasConstant * temperature();
+        chemPot_ = (m_h0_RT[0] - m_s0_R[0]) * RT();
     }
 }
 

src/thermo/IdealGasPhase.cpp

@@ -83,7 +83,7 @@ doublereal IdealGasPhase::cv_mole() const
 
 doublereal IdealGasPhase::standardConcentration(size_t k) const
 {
-    return pressure() / (GasConstant * temperature());
+    return pressure() / RT();
 }
 
 void IdealGasPhase::getActivityCoefficients(doublereal* ac) const
@@ -97,8 +97,7 @@ void IdealGasPhase::getStandardChemPotentials(doublereal* muStar) const
 {
     const vector_fp& gibbsrt = gibbs_RT_ref();
     scale(gibbsrt.begin(), gibbsrt.end(), muStar, RT());
-    double tmp = log(pressure() / m_spthermo->refPressure());
-    tmp *= GasConstant * temperature();
+    double tmp = log(pressure() / m_spthermo->refPressure()) * RT();
     for (size_t k = 0; k < m_kk; k++) {
         muStar[k] += tmp; // add RT*ln(P/P_0)
     }
@@ -317,7 +316,7 @@ void IdealGasPhase::_updateThermo() const
         for (size_t k = 0; k < m_kk; k++) {
             m_g0_RT[k] = m_h0_RT[k] - m_s0_R[k];
         }
-        m_logc0 = log(m_p0 / (GasConstant * tnow));
+        m_logc0 = log(m_p0 / RT());
     }
 }
 }

src/thermo/IdealSolidSolnPhase.cpp

@@ -112,7 +112,7 @@ int IdealSolidSolnPhase::eosType() const
 
 doublereal IdealSolidSolnPhase::enthalpy_mole() const
 {
-    doublereal htp = GasConstant * temperature() * mean_X(enthalpy_RT_ref());
+    doublereal htp = RT() * mean_X(enthalpy_RT_ref());
     return htp + (pressure() - m_Pref)/molarDensity();
 }
 
@@ -123,7 +123,7 @@ doublereal IdealSolidSolnPhase::entropy_mole() const
 
 doublereal IdealSolidSolnPhase::gibbs_mole() const
 {
-    return GasConstant * temperature() * (mean_X(gibbs_RT_ref()) + sum_xlogx());
+    return RT() * (mean_X(gibbs_RT_ref()) + sum_xlogx());
 }
 
 doublereal IdealSolidSolnPhase::cp_mole() const
@@ -304,7 +304,7 @@ void IdealSolidSolnPhase::getChemPotentials_RT(doublereal* mu) const
 void IdealSolidSolnPhase::getPartialMolarEnthalpies(doublereal* hbar) const
 {
     const vector_fp& _h = enthalpy_RT_ref();
-    scale(_h.begin(), _h.end(), hbar, GasConstant * temperature());
+    scale(_h.begin(), _h.end(), hbar, RT());
 }
 
 void IdealSolidSolnPhase::getPartialMolarEntropies(doublereal* sbar) const
@@ -367,7 +367,7 @@ void IdealSolidSolnPhase::getEntropy_R(doublereal* sr) const
 void IdealSolidSolnPhase::getIntEnergy_RT(doublereal* urt) const
 {
     const vector_fp& _h = enthalpy_RT_ref();
-    doublereal prefrt = m_Pref / (GasConstant * temperature());
+    doublereal prefrt = m_Pref / RT();
     for (size_t k = 0; k < m_kk; k++) {
         urt[k] = _h[k] - prefrt * m_speciesMolarVolume[k];
     }
@@ -405,7 +405,7 @@ void IdealSolidSolnPhase::getGibbs_RT_ref(doublereal* grt) const
 void IdealSolidSolnPhase::getGibbs_ref(doublereal* g) const
 {
     _updateThermo();
-    double tmp = GasConstant * temperature();
+    double tmp = RT();
     for (size_t k = 0; k != m_kk; k++) {
         g[k] = tmp * m_g0_RT[k];
     }
@@ -414,7 +414,7 @@ void IdealSolidSolnPhase::getGibbs_ref(doublereal* g) const
 void IdealSolidSolnPhase::getIntEnergy_RT_ref(doublereal* urt) const
 {
     const vector_fp& _h = enthalpy_RT_ref();
-    doublereal prefrt = m_Pref / (GasConstant * temperature());
+    doublereal prefrt = m_Pref / RT();
     for (size_t k = 0; k < m_kk; k++) {
         urt[k] = _h[k] - prefrt * m_speciesMolarVolume[k];
     }
@@ -566,7 +566,7 @@ void IdealSolidSolnPhase::_updateThermo() const
         // Update the thermodynamic functions of the reference state.
         m_spthermo->update(tnow, m_cp0_R.data(), m_h0_RT.data(), m_s0_R.data());
         m_tlast = tnow;
-        doublereal rrt = 1.0 / (GasConstant * tnow);
+        doublereal rrt = 1.0 / RT();
         for (size_t k = 0; k < m_kk; k++) {
             double deltaE = rrt * m_pe[k];
             m_h0_RT[k] += deltaE;

src/thermo/IdealSolnGasVPSS.cpp

@@ -84,7 +84,7 @@ int IdealSolnGasVPSS::eosType() const
 doublereal IdealSolnGasVPSS::enthalpy_mole() const
 {
     updateStandardStateThermo();
-    return GasConstant * temperature() * mean_X(m_VPSS_ptr->enthalpy_RT());
+    return RT() * mean_X(m_VPSS_ptr->enthalpy_RT());
 }
 
 doublereal IdealSolnGasVPSS::entropy_mole() const
@@ -115,8 +115,7 @@ void IdealSolnGasVPSS::calcDensity()
 {
     // Calculate the molarVolume of the solution (m**3 kmol-1)
     if (m_idealGas) {
-        double dens = (m_Pcurrent * meanMolecularWeight()
-                       /(GasConstant * temperature()));
+        double dens = m_Pcurrent * meanMolecularWeight() / RT();
         Phase::setDensity(dens);
     } else {
         const doublereal* const dtmp = moleFractdivMMW();
@@ -168,8 +167,7 @@ void IdealSolnGasVPSS::getActivityConcentrations(doublereal* c) const
 doublereal IdealSolnGasVPSS::standardConcentration(size_t k) const
 {
     if (m_idealGas) {
-        double p = pressure();
-        return p/(GasConstant * temperature());
+        return pressure() / RT();
     } else {
         const vector_fp& vss = m_VPSS_ptr->getStandardVolumes();
         switch (m_formGC) {
@@ -205,7 +203,7 @@ void IdealSolnGasVPSS::getChemPotentials(doublereal* mu) const
 void IdealSolnGasVPSS::getPartialMolarEnthalpies(doublereal* hbar) const
 {
     getEnthalpy_RT(hbar);
-    scale(hbar, hbar+m_kk, hbar, GasConstant * temperature());
+    scale(hbar, hbar+m_kk, hbar, RT());
 }
 
 void IdealSolnGasVPSS::getPartialMolarEntropies(doublereal* sbar) const
@@ -221,7 +219,7 @@ void IdealSolnGasVPSS::getPartialMolarEntropies(doublereal* sbar) const
 void IdealSolnGasVPSS::getPartialMolarIntEnergies(doublereal* ubar) const
 {
     getIntEnergy_RT(ubar);
-    scale(ubar, ubar+m_kk, ubar, GasConstant * temperature());
+    scale(ubar, ubar+m_kk, ubar, RT());
 }
 
 void IdealSolnGasVPSS::getPartialMolarCp(doublereal* cpbar) const

src/thermo/IonsFromNeutralVPSSTP.cpp

@@ -288,37 +288,35 @@ void IonsFromNeutralVPSSTP::getChemPotentials(doublereal* mu) const
     // Get the standard chemical potentials of netural molecules
     neutralMoleculePhase_->getStandardChemPotentials(muNeutralMolecule_.data());
 
-    doublereal RT_ = GasConstant * temperature();
-
     switch (ionSolnType_) {
     case cIonSolnType_PASSTHROUGH:
         neutralMoleculePhase_->getChemPotentials(mu);
         break;
     case cIonSolnType_SINGLEANION:
         neutralMoleculePhase_->getLnActivityCoefficients(lnActCoeff_NeutralMolecule_.data());
-        fact2 = 2.0 * RT_ * log(2.0);
+        fact2 = 2.0 * RT() * log(2.0);
 
         // Do the cation list
         for (size_t k = 0; k < cationList_.size(); k++) {
             // Get the id for the next cation
             icat = cationList_[k];
             jNeut = fm_invert_ionForNeutral[icat];
             xx = std::max(SmallNumber, moleFractions_[icat]);
-            mu[icat] = muNeutralMolecule_[jNeut] + fact2 + RT_ * (lnActCoeff_NeutralMolecule_[jNeut] + log(xx));
+            mu[icat] = muNeutralMolecule_[jNeut] + fact2 + RT() * (lnActCoeff_NeutralMolecule_[jNeut] + log(xx));
         }
 
         // Do the anion list
         icat = anionList_[0];
         jNeut = fm_invert_ionForNeutral[icat];
         xx = std::max(SmallNumber, moleFractions_[icat]);
-        mu[icat] = RT_ * log(xx);
+        mu[icat] = RT() * log(xx);
 
         // Do the list of neutral molecules
         for (size_t k = 0; k < passThroughList_.size(); k++) {
             icat = passThroughList_[k];
             jNeut = fm_invert_ionForNeutral[icat];
             xx = std::max(SmallNumber, moleFractions_[icat]);
-            mu[icat] = muNeutralMolecule_[jNeut] + RT_ * (lnActCoeff_NeutralMolecule_[jNeut] + log(xx));
+            mu[icat] = muNeutralMolecule_[jNeut] + RT() * (lnActCoeff_NeutralMolecule_[jNeut] + log(xx));
         }
         break;
 

src/thermo/LatticePhase.cpp

@@ -65,7 +65,7 @@ ThermoPhase* LatticePhase::duplMyselfAsThermoPhase() const
 
 doublereal LatticePhase::enthalpy_mole() const
 {
-    return GasConstant * temperature() * mean_X(enthalpy_RT_ref()) +
+    return RT() * mean_X(enthalpy_RT_ref()) +
             (pressure() - m_Pref)/molarDensity();
 }
 
@@ -162,7 +162,7 @@ void LatticePhase::getChemPotentials(doublereal* mu) const
 void LatticePhase::getPartialMolarEnthalpies(doublereal* hbar) const
 {
     const vector_fp& _h = enthalpy_RT_ref();
-    scale(_h.begin(), _h.end(), hbar, GasConstant * temperature());
+    scale(_h.begin(), _h.end(), hbar, RT());
 }
 
 void LatticePhase::getPartialMolarEntropies(doublereal* sbar) const
@@ -230,7 +230,7 @@ void LatticePhase::getGibbs_ref(doublereal* g) const
 {
     getGibbs_RT_ref(g);
     for (size_t k = 0; k < m_kk; k++) {
-        g[k] *= GasConstant * temperature();
+        g[k] *= RT();
     }
 }
 

src/thermo/LatticeSolidPhase.cpp

@@ -320,7 +320,7 @@ void LatticeSolidPhase::getGibbs_ref(doublereal* g) const
 {
     getGibbs_RT_ref(g);
     for (size_t k = 0; k < m_kk; k++) {
-        g[k] *= GasConstant * temperature();
+        g[k] *= RT();
     }
 }
 

src/thermo/MaskellSolidSolnPhase.cpp

@@ -71,7 +71,7 @@ void MaskellSolidSolnPhase::getActivityConcentrations(doublereal* c) const
 doublereal MaskellSolidSolnPhase::enthalpy_mole() const
 {
     _updateThermo();
-    const doublereal h0 = GasConstant * temperature() * mean_X(m_h0_RT);
+    const doublereal h0 = RT() * mean_X(m_h0_RT);
     const doublereal r = moleFraction(product_species_index);
     const doublereal fmval = fm(r);
     return h0 + r * fmval * h_mixing;
@@ -145,7 +145,7 @@ void MaskellSolidSolnPhase::getActivityCoefficients(doublereal* ac) const
         const doublereal rfm = r * fm(r);
         const doublereal A = (std::pow(1 - rfm, pval) * std::pow(rfm, pval) * std::pow(r - rfm, 1 - pval)) /
                              (std::pow(1 - r - rfm, 1 + pval) * (1 - r));
-        const doublereal B = pval * h_mixing / (GasConstant * temperature());
+        const doublereal B = pval * h_mixing / RT();
         cached.value[product_species_index] = A * std::exp(B);
         cached.value[reactant_species_index] = 1 / (A * r * (1-r) ) * std::exp(-B);
     }
@@ -159,7 +159,7 @@ void MaskellSolidSolnPhase::getChemPotentials(doublereal* mu) const
     const doublereal pval = p(r);
     const doublereal rfm = r * fm(r);
     const doublereal DgbarDr = pval * h_mixing +
-                               GasConstant * temperature() *
+                               RT() *
                                std::log( (std::pow(1 - rfm, pval) * std::pow(rfm, pval) * std::pow(r - rfm, 1 - pval) * r) /
                                (std::pow(1 - r - rfm, 1 + pval) * (1 - r)) );
     mu[product_species_index] = RT() * m_g0_RT[product_species_index] + DgbarDr;
@@ -199,9 +199,8 @@ void MaskellSolidSolnPhase::getPartialMolarVolumes(doublereal* vbar) const
 void MaskellSolidSolnPhase::getPureGibbs(doublereal* gpure) const
 {
     _updateThermo();
-    const doublereal RT = GasConstant * temperature();
     for (size_t sp=0; sp < m_kk; ++sp) {
-        gpure[sp] = RT * m_g0_RT[sp];
+        gpure[sp] = RT() * m_g0_RT[sp];
     }
 }
 
@@ -285,7 +284,7 @@ void MaskellSolidSolnPhase::_updateThermo() const
 
 doublereal MaskellSolidSolnPhase::s() const
 {
-    return 1 + std::exp(h_mixing / (GasConstant * temperature()));
+    return 1 + std::exp(h_mixing / RT());
 }
 
 doublereal MaskellSolidSolnPhase::fm(const doublereal r) const

src/thermo/MetalSHEelectrons.cpp

@@ -106,7 +106,7 @@ doublereal MetalSHEelectrons::logStandardConc(size_t k) const
 void MetalSHEelectrons::getStandardChemPotentials(doublereal* mu0) const
 {
     getGibbs_RT(mu0);
-    mu0[0] *= GasConstant * temperature();
+    mu0[0] *= RT();
 }
 
 void MetalSHEelectrons::getEnthalpy_RT(doublereal* hrt) const

src/thermo/MineralEQ3.cpp

@@ -115,7 +115,7 @@ doublereal MineralEQ3::logStandardConc(size_t k) const
 void MineralEQ3::getStandardChemPotentials(doublereal* mu0) const
 {
     getGibbs_RT(mu0);
-    mu0[0] *= GasConstant * temperature();
+    mu0[0] *= RT();
 }
 
 void MineralEQ3::getEnthalpy_RT(doublereal* hrt) const

src/thermo/PureFluidPhase.cpp

@@ -249,7 +249,7 @@ void PureFluidPhase::getGibbs_RT_ref(doublereal* grt) const
 void PureFluidPhase::getGibbs_ref(doublereal* g) const
 {
     getGibbs_RT_ref(g);
-    g[0] *= (GasConstant * temperature());
+    g[0] *= RT();
 }
 
 void PureFluidPhase::getEntropy_R_ref(doublereal* er) const

src/thermo/SemiconductorPhase.cpp

@@ -16,8 +16,8 @@ SemiconductorPhase::SemiconductorPhase(std::string infile,
 void SemiconductorPhase::getChemPotentials(doublereal* mu) const
 {
     getActivityConcentrations(m_work.data());
-    mu[0] = ec() + GasConstant*temperature()*(JoyceDixon(m_work[0]/nc()));
-    mu[1] = ev() + GasConstant*temperature()*(log(m_work[1]/nv()));
+    mu[0] = ec() + RT()*(JoyceDixon(m_work[0]/nc()));
+    mu[1] = ev() + RT()*(log(m_work[1]/nv()));
 }
 
 // units: kmol/m^3