diff --git a/include/cantera/kinetics/BulkKinetics.h b/include/cantera/kinetics/BulkKinetics.h index fb72d12dde5..cb0e7656aed 100644 --- a/include/cantera/kinetics/BulkKinetics.h +++ b/include/cantera/kinetics/BulkKinetics.h @@ -189,7 +189,7 @@ class BulkKinetics : public Kinetics vector_fp m_kf0; //!< Forward rate constants without perturbation vector_fp m_sbuf0; vector_fp m_state; - vector_fp m_grt; + vector_fp m_grt; //!< Standard chemical potentials for each species }; } diff --git a/src/kinetics/BulkKinetics.cpp b/src/kinetics/BulkKinetics.cpp index b0d1c22490d..09da9ae31f0 100644 --- a/src/kinetics/BulkKinetics.cpp +++ b/src/kinetics/BulkKinetics.cpp @@ -209,25 +209,25 @@ void BulkKinetics::getRevRateConstants(double* krev, bool doIrreversible) void BulkKinetics::getDeltaGibbs(double* deltaG) { // Get the chemical potentials for each species - thermo().getChemPotentials(m_grt.data()); + thermo().getChemPotentials(m_rbuf0.data()); // Use the stoichiometric manager to find deltaG for each reaction. - getReactionDelta(m_grt.data(), deltaG); + getReactionDelta(m_rbuf0.data(), deltaG); } void BulkKinetics::getDeltaEnthalpy(double* deltaH) { // Get the partial molar enthalpy for each species - thermo().getPartialMolarEnthalpies(m_grt.data()); + thermo().getPartialMolarEnthalpies(m_rbuf0.data()); // Use the stoichiometric manager to find deltaH for each reaction. - getReactionDelta(m_grt.data(), deltaH); + getReactionDelta(m_rbuf0.data(), deltaH); } void BulkKinetics::getDeltaEntropy(double* deltaS) { // Get the partial molar entropy for each species - thermo().getPartialMolarEntropies(m_grt.data()); + thermo().getPartialMolarEntropies(m_rbuf0.data()); // Use the stoichiometric manager to find deltaS for each reaction. - getReactionDelta(m_grt.data(), deltaS); + getReactionDelta(m_rbuf0.data(), deltaS); } void BulkKinetics::getDeltaSSGibbs(double* deltaG) @@ -236,20 +236,20 @@ void BulkKinetics::getDeltaSSGibbs(double* deltaG) // array of chemical potentials at unit activity. We define these here as // the chemical potentials of the pure species at the temperature and // pressure of the solution. - thermo().getStandardChemPotentials(m_grt.data()); + thermo().getStandardChemPotentials(m_rbuf0.data()); // Use the stoichiometric manager to find deltaG for each reaction. - getReactionDelta(m_grt.data(), deltaG); + getReactionDelta(m_rbuf0.data(), deltaG); } void BulkKinetics::getDeltaSSEnthalpy(double* deltaH) { // Get the standard state enthalpies of the species. - thermo().getEnthalpy_RT(m_grt.data()); + thermo().getEnthalpy_RT(m_rbuf0.data()); for (size_t k = 0; k < m_kk; k++) { - m_grt[k] *= thermo().RT(); + m_rbuf0[k] *= thermo().RT(); } // Use the stoichiometric manager to find deltaH for each reaction. - getReactionDelta(m_grt.data(), deltaH); + getReactionDelta(m_rbuf0.data(), deltaH); } void BulkKinetics::getDeltaSSEntropy(double* deltaS) @@ -257,12 +257,12 @@ void BulkKinetics::getDeltaSSEntropy(double* deltaS) // Get the standard state entropy of the species. We define these here as // the entropies of the pure species at the temperature and pressure of the // solution. - thermo().getEntropy_R(m_grt.data()); + thermo().getEntropy_R(m_rbuf0.data()); for (size_t k = 0; k < m_kk; k++) { - m_grt[k] *= GasConstant; + m_rbuf0[k] *= GasConstant; } // Use the stoichiometric manager to find deltaS for each reaction. - getReactionDelta(m_grt.data(), deltaS); + getReactionDelta(m_rbuf0.data(), deltaS); } void BulkKinetics::getDerivativeSettings(AnyMap& settings) const