diff --git a/include/cantera/thermo/ConstDensityThermo.h b/include/cantera/thermo/ConstDensityThermo.h index ebe294eb0..1aaada626 100644 --- a/include/cantera/thermo/ConstDensityThermo.h +++ b/include/cantera/thermo/ConstDensityThermo.h @@ -60,15 +60,9 @@ public: /// Molar enthalpy. Units: J/kmol. virtual doublereal enthalpy_mole() const; - /// Molar internal energy. Units: J/kmol. - virtual doublereal intEnergy_mole() const; - /// Molar entropy. Units: J/kmol/K. virtual doublereal entropy_mole() const; - /// Molar Gibbs function. Units: J/kmol. - virtual doublereal gibbs_mole() const; - /// Molar heat capacity at constant pressure. Units: J/kmol/K. virtual doublereal cp_mole() const; diff --git a/include/cantera/thermo/DebyeHuckel.h b/include/cantera/thermo/DebyeHuckel.h index e07b1aa04..5b899069e 100644 --- a/include/cantera/thermo/DebyeHuckel.h +++ b/include/cantera/thermo/DebyeHuckel.h @@ -654,9 +654,6 @@ public: /// Molar enthalpy of the solution. Units: J/kmol. virtual doublereal enthalpy_mole() const; - /// Molar internal energy of the solution. Units: J/kmol. - virtual doublereal intEnergy_mole() const; - /// Molar entropy. Units: J/kmol/K. /** * For an ideal, constant partial molar volume solution mixture with diff --git a/include/cantera/thermo/HMWSoln.h b/include/cantera/thermo/HMWSoln.h index 957dac037..659c7f262 100644 --- a/include/cantera/thermo/HMWSoln.h +++ b/include/cantera/thermo/HMWSoln.h @@ -1389,13 +1389,6 @@ public: */ virtual doublereal relative_molal_enthalpy() const; - /// Molar internal energy. Units: J/kmol. - /** - * Molar internal energy of the solution. Units: J/kmol. - * (HKM -> Bump up to Parent object) - */ - virtual doublereal intEnergy_mole() const; - /// Molar entropy. Units: J/kmol/K. /** * Molar entropy of the solution. Units: J/kmol/K. diff --git a/include/cantera/thermo/IdealGasPhase.h b/include/cantera/thermo/IdealGasPhase.h index 8e4824d94..c1f8fbea1 100644 --- a/include/cantera/thermo/IdealGasPhase.h +++ b/include/cantera/thermo/IdealGasPhase.h @@ -387,19 +387,6 @@ public: return GasConstant * temperature() * mean_X(&enthalpy_RT_ref()[0]); } - /** - * Molar internal energy. J/kmol. For an ideal gas mixture, - * \f[ - * \hat u(T) = \sum_k X_k \hat h^0_k(T) - \hat R T, - * \f] - * and is a function only of temperature. - * The reference-state pure-species enthalpies - * \f$ \hat h^0_k(T) \f$ are computed by the species thermodynamic - * property manager. - * @see SpeciesThermo - */ - virtual doublereal intEnergy_mole() const; - /** * Molar entropy. Units: J/kmol/K. * For an ideal gas mixture, @@ -413,12 +400,6 @@ public: */ virtual doublereal entropy_mole() const; - /** - * Molar Gibbs free Energy for an ideal gas. - * Units = J/kmol. - */ - virtual doublereal gibbs_mole() const; - /** * Molar heat capacity at constant pressure. Units: J/kmol/K. * For an ideal gas mixture, diff --git a/include/cantera/thermo/IdealSolidSolnPhase.h b/include/cantera/thermo/IdealSolidSolnPhase.h index 96cfa1420..c30ef1af6 100644 --- a/include/cantera/thermo/IdealSolidSolnPhase.h +++ b/include/cantera/thermo/IdealSolidSolnPhase.h @@ -133,23 +133,6 @@ public: */ virtual doublereal enthalpy_mole() const; - /** - * Molar internal energy of the solution. Units: J/kmol. - * For an ideal, constant partial molar volume solution mixture with - * pure species phases which exhibit zero volume expansivity and - * zero isothermal compressibility: - * \f[ - * \hat u(T,X) = \hat h(T,P,X) - p \hat V - * = \sum_k X_k \hat h^0_k(T) - P_{ref} (\sum_k{X_k \hat V^0_k}) - * \f] - * and is a function only of temperature. - * The reference-state pure-species enthalpies - * \f$ \hat h^0_k(T) \f$ are computed by the species thermodynamic - * property manager. - * @see SpeciesThermo - */ - virtual doublereal intEnergy_mole() const; - /** * Molar entropy of the solution. Units: J/kmol/K. * For an ideal, constant partial molar volume solution mixture with diff --git a/include/cantera/thermo/IdealSolnGasVPSS.h b/include/cantera/thermo/IdealSolnGasVPSS.h index 1d9c81c2a..302a4e73c 100644 --- a/include/cantera/thermo/IdealSolnGasVPSS.h +++ b/include/cantera/thermo/IdealSolnGasVPSS.h @@ -81,15 +81,9 @@ public: /// Molar enthalpy. Units: J/kmol. doublereal enthalpy_mole() const; - /// Molar internal energy. Units: J/kmol. - doublereal intEnergy_mole() const; - /// Molar entropy. Units: J/kmol/K. doublereal entropy_mole() const; - /// Molar Gibbs function. Units: J/kmol. - doublereal gibbs_mole() const; - /// Molar heat capacity at constant pressure. Units: J/kmol/K. doublereal cp_mole() const; diff --git a/include/cantera/thermo/IonsFromNeutralVPSSTP.h b/include/cantera/thermo/IonsFromNeutralVPSSTP.h index 14a7d7e3f..3238d3d97 100644 --- a/include/cantera/thermo/IonsFromNeutralVPSSTP.h +++ b/include/cantera/thermo/IonsFromNeutralVPSSTP.h @@ -218,14 +218,6 @@ public: */ virtual doublereal enthalpy_mole() const; - /** - * Molar internal energy. J/kmol. - * - * This is calculated from the soln enthalpy and then - * subtracting pV. - */ - virtual doublereal intEnergy_mole() const; - //! Molar entropy. Units: J/kmol/K. virtual doublereal entropy_mole() const; diff --git a/include/cantera/thermo/LatticePhase.h b/include/cantera/thermo/LatticePhase.h index 28426f803..ba1b58261 100644 --- a/include/cantera/thermo/LatticePhase.h +++ b/include/cantera/thermo/LatticePhase.h @@ -308,25 +308,6 @@ public: */ virtual doublereal enthalpy_mole() const; - //! Molar internal energy of the solution. Units: J/kmol. - /*! - * For an ideal, constant partial molar volume solution mixture with - * pure species phases which exhibit zero volume expansivity and - * zero isothermal compressibility: - * - * \f[ - * \hat u(T,X) = \hat h(T,P,X) - p \hat V - * = \sum_k X_k \hat h^0_k(T) - P_{ref} (\sum_k{X_k \hat V^0_k}) - * \f] - * - * and is a function only of temperature. - * The reference-state pure-species enthalpies - * \f$ \hat h^0_k(T) \f$ are computed by the species thermodynamic - * property manager. - * @see SpeciesThermo - */ - virtual doublereal intEnergy_mole() const; - //! Molar entropy of the solution. Units: J/kmol/K /*! * For an ideal, constant partial molar volume solution mixture with @@ -345,22 +326,6 @@ public: */ virtual doublereal entropy_mole() const; - //! Molar gibbs free energy of the solution. Units: J/kmol. - /*! - * For an ideal, constant partial molar volume solution mixture with - * pure species phases which exhibit zero volume expansivity: - * \f[ - * \hat g(T, P) = \sum_k X_k \hat g^0_k(T,P) + \hat R T \sum_k X_k log(X_k) - * \f] - * The reference-state pure-species gibbs free energies - * \f$ \hat g^0_k(T) \f$ are computed by the species thermodynamic - * property manager, while the standard state gibbs free energies - * \f$ \hat g^0_k(T,P) \f$ are computed by the member function, gibbs_RT(). - * - * @see SpeciesThermo - */ - virtual doublereal gibbs_mole() const; - //! Molar heat capacity at constant pressure of the solution. //! Units: J/kmol/K. /*! diff --git a/include/cantera/thermo/RedlichKwongMFTP.h b/include/cantera/thermo/RedlichKwongMFTP.h index 0618573e0..64f982232 100644 --- a/include/cantera/thermo/RedlichKwongMFTP.h +++ b/include/cantera/thermo/RedlichKwongMFTP.h @@ -110,15 +110,9 @@ public: /// Molar enthalpy. Units: J/kmol. virtual doublereal enthalpy_mole() const; - /// Molar internal energy. Units: J/kmol. - virtual doublereal intEnergy_mole() const; - /// Molar entropy. Units: J/kmol/K. virtual doublereal entropy_mole() const; - /// Molar Gibbs function. Units: J/kmol. - virtual doublereal gibbs_mole() const; - /// Molar heat capacity at constant pressure. Units: J/kmol/K. virtual doublereal cp_mole() const; diff --git a/include/cantera/thermo/StoichSubstance.h b/include/cantera/thermo/StoichSubstance.h index 116c93b3e..61ca930e8 100644 --- a/include/cantera/thermo/StoichSubstance.h +++ b/include/cantera/thermo/StoichSubstance.h @@ -97,12 +97,6 @@ public: */ virtual doublereal entropy_mole() const; - /** - * Molar gibbs Function. Units: J/kmol. This is determined - * from the molar enthalpy and entropy functions. - */ - virtual doublereal gibbs_mole() const; - /** * Molar heat capacity at constant pressure. Units: J/kmol/K. * For an incompressible substance, \f$ \hat c_p = \hat c_v\f$. diff --git a/src/thermo/ConstDensityThermo.cpp b/src/thermo/ConstDensityThermo.cpp index 921071f8b..247ca7949 100644 --- a/src/thermo/ConstDensityThermo.cpp +++ b/src/thermo/ConstDensityThermo.cpp @@ -60,25 +60,12 @@ doublereal ConstDensityThermo::enthalpy_mole() const + (pressure() - p0)/molarDensity(); } -doublereal ConstDensityThermo::intEnergy_mole() const -{ - doublereal p0 = m_spthermo->refPressure(); - return GasConstant * temperature() * - mean_X(&enthalpy_RT()[0]) - - p0/molarDensity(); -} - doublereal ConstDensityThermo::entropy_mole() const { return GasConstant * (mean_X(&entropy_R()[0]) - sum_xlogx()); } -doublereal ConstDensityThermo::gibbs_mole() const -{ - return enthalpy_mole() - temperature() * entropy_mole(); -} - doublereal ConstDensityThermo::cp_mole() const { return GasConstant * mean_X(&cp_R()[0]); diff --git a/src/thermo/DebyeHuckel.cpp b/src/thermo/DebyeHuckel.cpp index 6fde60254..b52344cc4 100644 --- a/src/thermo/DebyeHuckel.cpp +++ b/src/thermo/DebyeHuckel.cpp @@ -199,15 +199,6 @@ doublereal DebyeHuckel::enthalpy_mole() const return mean_X(DATA_PTR(m_tmpV)); } -doublereal DebyeHuckel::intEnergy_mole() const -{ - // This is calculated from the soln enthalpy and then subtracting pV. - double hh = enthalpy_mole(); - double pres = pressure(); - double molarV = 1.0/molarDensity(); - return hh - pres * molarV; -} - doublereal DebyeHuckel::entropy_mole() const { getPartialMolarEntropies(DATA_PTR(m_tmpV)); diff --git a/src/thermo/HMWSoln.cpp b/src/thermo/HMWSoln.cpp index 215d29a75..1d72be743 100644 --- a/src/thermo/HMWSoln.cpp +++ b/src/thermo/HMWSoln.cpp @@ -628,14 +628,6 @@ doublereal HMWSoln::relative_molal_enthalpy() const return L / xuse; } -doublereal HMWSoln::intEnergy_mole() const -{ - double hh = enthalpy_mole(); - double pres = pressure(); - double molarV = 1.0/molarDensity(); - return hh - pres * molarV; -} - doublereal HMWSoln::entropy_mole() const { getPartialMolarEntropies(DATA_PTR(m_tmpV)); diff --git a/src/thermo/IdealGasPhase.cpp b/src/thermo/IdealGasPhase.cpp index 576b2540a..698529724 100644 --- a/src/thermo/IdealGasPhase.cpp +++ b/src/thermo/IdealGasPhase.cpp @@ -69,21 +69,11 @@ ThermoPhase* IdealGasPhase::duplMyselfAsThermoPhase() const // Molar Thermodynamic Properties of the Solution ------------------ -doublereal IdealGasPhase::intEnergy_mole() const -{ - return GasConstant * temperature() * (mean_X(&enthalpy_RT_ref()[0]) - 1.0); -} - doublereal IdealGasPhase::entropy_mole() const { return GasConstant * (mean_X(&entropy_R_ref()[0]) - sum_xlogx() - std::log(pressure() / m_spthermo->refPressure())); } -doublereal IdealGasPhase::gibbs_mole() const -{ - return enthalpy_mole() - temperature() * entropy_mole(); -} - doublereal IdealGasPhase::cp_mole() const { return GasConstant * mean_X(&cp_R_ref()[0]); diff --git a/src/thermo/IdealSolidSolnPhase.cpp b/src/thermo/IdealSolidSolnPhase.cpp index a73dd6174..ef01e85fd 100644 --- a/src/thermo/IdealSolidSolnPhase.cpp +++ b/src/thermo/IdealSolidSolnPhase.cpp @@ -119,14 +119,6 @@ doublereal IdealSolidSolnPhase::enthalpy_mole() const return htp + (pressure() - m_Pref)/molarDensity(); } -doublereal IdealSolidSolnPhase::intEnergy_mole() const -{ - const double* eptr = DATA_PTR(enthalpy_RT_ref().begin()); - doublereal htp = (GasConstant * temperature() * - mean_X(eptr)); - return htp - m_Pref / molarDensity(); -} - doublereal IdealSolidSolnPhase::entropy_mole() const { const double* dptr = DATA_PTR(entropy_R_ref()); diff --git a/src/thermo/IdealSolnGasVPSS.cpp b/src/thermo/IdealSolnGasVPSS.cpp index 8a6db4647..769031772 100644 --- a/src/thermo/IdealSolnGasVPSS.cpp +++ b/src/thermo/IdealSolnGasVPSS.cpp @@ -98,13 +98,6 @@ doublereal IdealSolnGasVPSS::enthalpy_mole() const mean_X(DATA_PTR(enth_RT))); } -doublereal IdealSolnGasVPSS::intEnergy_mole() const -{ - doublereal p0 = pressure(); - doublereal md = molarDensity(); - return enthalpy_mole() - p0 / md; -} - doublereal IdealSolnGasVPSS::entropy_mole() const { updateStandardStateThermo(); @@ -113,11 +106,6 @@ doublereal IdealSolnGasVPSS::entropy_mole() const } -doublereal IdealSolnGasVPSS::gibbs_mole() const -{ - return enthalpy_mole() - temperature() * entropy_mole(); -} - doublereal IdealSolnGasVPSS::cp_mole() const { updateStandardStateThermo(); diff --git a/src/thermo/IonsFromNeutralVPSSTP.cpp b/src/thermo/IonsFromNeutralVPSSTP.cpp index a4b20534a..c1e58c93a 100644 --- a/src/thermo/IonsFromNeutralVPSSTP.cpp +++ b/src/thermo/IonsFromNeutralVPSSTP.cpp @@ -314,14 +314,6 @@ doublereal IonsFromNeutralVPSSTP::enthalpy_mole() const return mean_X(DATA_PTR(m_pp)); } -doublereal IonsFromNeutralVPSSTP::intEnergy_mole() const -{ - double hh = enthalpy_mole(); - double pres = pressure(); - double molarV = 1.0/molarDensity(); - return hh - pres * molarV; -} - doublereal IonsFromNeutralVPSSTP::entropy_mole() const { getPartialMolarEntropies(DATA_PTR(m_pp)); diff --git a/src/thermo/LatticePhase.cpp b/src/thermo/LatticePhase.cpp index a82319a0a..597d58bd6 100644 --- a/src/thermo/LatticePhase.cpp +++ b/src/thermo/LatticePhase.cpp @@ -75,25 +75,12 @@ doublereal LatticePhase::enthalpy_mole() const + (pressure() - p0)/molarDensity(); } -doublereal LatticePhase::intEnergy_mole() const -{ - doublereal p0 = m_spthermo->refPressure(); - return GasConstant * temperature() * - mean_X(&enthalpy_RT_ref()[0]) - - p0/molarDensity(); -} - doublereal LatticePhase::entropy_mole() const { return GasConstant * (mean_X(&entropy_R_ref()[0]) - sum_xlogx()); } -doublereal LatticePhase::gibbs_mole() const -{ - return enthalpy_mole() - temperature() * entropy_mole(); -} - doublereal LatticePhase::cp_mole() const { return GasConstant * mean_X(&cp_R_ref()[0]); diff --git a/src/thermo/RedlichKwongMFTP.cpp b/src/thermo/RedlichKwongMFTP.cpp index 399294080..69b335258 100644 --- a/src/thermo/RedlichKwongMFTP.cpp +++ b/src/thermo/RedlichKwongMFTP.cpp @@ -239,13 +239,6 @@ doublereal RedlichKwongMFTP::enthalpy_mole() const return h_ideal + h_nonideal; } -doublereal RedlichKwongMFTP::intEnergy_mole() const -{ - doublereal p0 = pressure(); - doublereal md = molarDensity(); - return enthalpy_mole() - p0 / md; -} - doublereal RedlichKwongMFTP::entropy_mole() const { _updateReferenceStateThermo(); @@ -255,11 +248,6 @@ doublereal RedlichKwongMFTP::entropy_mole() const return sr_ideal + sr_nonideal; } -doublereal RedlichKwongMFTP::gibbs_mole() const -{ - return enthalpy_mole() - temperature() * entropy_mole(); -} - doublereal RedlichKwongMFTP::cp_mole() const { _updateReferenceStateThermo(); diff --git a/src/thermo/StoichSubstance.cpp b/src/thermo/StoichSubstance.cpp index f8c6673bd..d5c443967 100644 --- a/src/thermo/StoichSubstance.cpp +++ b/src/thermo/StoichSubstance.cpp @@ -62,11 +62,6 @@ doublereal StoichSubstance::entropy_mole() const return GasConstant * m_s0_R[0]; } -doublereal StoichSubstance::gibbs_mole() const -{ - return enthalpy_mole() - temperature() * entropy_mole(); -} - doublereal StoichSubstance::cp_mole() const { _updateThermo();