Perform a comprehensive set of thermodynamic consistency tests for all thermo models

.github/workflows/main.yml

@@ -434,7 +434,7 @@ jobs:
       BOOST_URL: https://boostorg.jfrog.io/artifactory/main/release/1.78.0/source/boost_1_78_0.7z
     strategy:
       matrix:
-        vs-toolset: ['14.0', '14.2']
+        vs-toolset: ['14.2']
         python-version: [ "3.7", "3.9", "3.10" ]
       fail-fast: false
     steps:

SConstruct

@@ -158,8 +158,7 @@ windows_options = [
     Option(
         "msvc_version",
         """Version of Visual Studio to use. The default is the newest
-           installed version. Specify '12.0' for Visual Studio 2013, '14.0' for
-           Visual Studio 2015, '14.1' ('14.1x') Visual Studio 2017, '14.2'
+           installed version. Specify '14.1' ('14.1x') Visual Studio 2017, '14.2'
            ('14.2x') for Visual Studio 2019, or '14.3' ('14.3x') for
            Visual Studio 2022. For version numbers in parentheses,
            'x' is a placeholder for a minor version number. Windows MSVC only.""",

doc/sphinx/yaml/phases.rst

@@ -210,7 +210,7 @@ Phase thermodynamic models
 A phase implementing tabulated standard state thermodynamics for one species in
 a binary solution, as `described here <https://cantera.org/documentation/dev/doxygen/html/de/ddf/classCantera_1_1BinarySolutionTabulatedThermo.html#details>`__.
 
-Includes the fields of :ref:`sec-yaml-ideal-molal-solution`, plus:
+Includes the fields of :ref:`sec-yaml-ideal-condensed`, plus:
 
 ``tabulated-species``
     The name of the species to which the tabulated enthalpy and entropy is

include/cantera/base/ctexceptions.h

@@ -95,6 +95,9 @@ class CanteraError : public std::exception
     //! Method overridden by derived classes to format the error message
     virtual std::string getMessage() const;
 
+    //! Get the name of the method that threw the exception
+    virtual std::string getMethod() const;
+
     //! Method overridden by derived classes to indicate their type
     virtual std::string getClass() const {
         return "CanteraError";

include/cantera/thermo/IdealMolalSoln.h

@@ -295,6 +295,19 @@ class IdealMolalSoln : public MolalityVPSSTP
      */
     virtual void getPartialMolarEnthalpies(doublereal* hbar) const;
 
+    //! Returns an array of partial molar internal energies for the species in the
+    //! mixture.
+    /*!
+     * Units (J/kmol). For this phase, the partial molar internal energies are equal to
+     * the species standard state internal energies (which are equal to the reference
+     * state internal energies)
+     *  \f[
+     * \bar u_k(T,P) = \hat u^{ref}_k(T)
+     * \f]
+     * @param hbar   Output vector of partial molar internal energies, length #m_kk
+     */
+    virtual void getPartialMolarIntEnergies(doublereal* hbar) const;
+
     //! Returns an array of partial molar entropies of the species in the
     //! solution. Units: J/kmol.
     /*!

include/cantera/thermo/MetalPhase.h

@@ -37,7 +37,7 @@ class MetalPhase : public ThermoPhase
         return 0.0;
     }
     virtual doublereal intEnergy_mole() const {
-        return 0.0;
+        return - pressure() * molarVolume();
     }
     virtual doublereal entropy_mole() const {
         return 0.0;

src/base/ctexceptions.cpp

@@ -47,6 +47,11 @@ std::string CanteraError::getMessage() const
     return msg_;
 }
 
+std::string CanteraError::getMethod() const
+{
+    return procedure_;
+}
+
 std::string ArraySizeError::getMessage() const
 {
     return fmt::format("Array size ({}) too small. Must be at least {}.",

src/thermo/IdealMolalSoln.cpp

@@ -65,7 +65,7 @@ doublereal IdealMolalSoln::enthalpy_mole() const
 
 doublereal IdealMolalSoln::intEnergy_mole() const
 {
-    getPartialMolarEnthalpies(m_tmpV.data());
+    getPartialMolarIntEnergies(m_tmpV.data());
     return mean_X(m_tmpV);
 }
 
@@ -248,6 +248,14 @@ void IdealMolalSoln::getPartialMolarEnthalpies(doublereal* hbar) const
     }
 }
 
+void IdealMolalSoln::getPartialMolarIntEnergies(double* ubar) const
+{
+    getIntEnergy_RT(ubar);
+    for (size_t k = 0; k < m_kk; k++) {
+        ubar[k] *= RT();
+    }
+}
+
 void IdealMolalSoln::getPartialMolarEntropies(doublereal* sbar) const
 {
     getEntropy_R(sbar);

src/thermo/PureFluidPhase.cpp

@@ -241,25 +241,25 @@ void PureFluidPhase::getGibbs_RT(doublereal* grt) const
 
 void PureFluidPhase::getEnthalpy_RT_ref(doublereal* hrt) const
 {
-    double psave = pressure();
+    double rhoSave = density();
     double t = temperature();
     double plow = 1.0E-8;
     Set(tpx::PropertyPair::TP, t, plow);
     getEnthalpy_RT(hrt);
-    Set(tpx::PropertyPair::TP, t, psave);
+    Set(tpx::PropertyPair::TV, t, 1 / rhoSave);
 
 }
 
 void PureFluidPhase::getGibbs_RT_ref(doublereal* grt) const
 {
-    double psave = pressure();
+    double rhoSave = density();
     double t = temperature();
     double pref = refPressure();
     double plow = 1.0E-8;
     Set(tpx::PropertyPair::TP, t, plow);
     getGibbs_RT(grt);
     grt[0] += log(pref/plow);
-    Set(tpx::PropertyPair::TP, t, psave);
+    Set(tpx::PropertyPair::TV, t, 1 / rhoSave);
 }
 
 void PureFluidPhase::getGibbs_ref(doublereal* g) const
@@ -270,14 +270,14 @@ void PureFluidPhase::getGibbs_ref(doublereal* g) const
 
 void PureFluidPhase::getEntropy_R_ref(doublereal* er) const
 {
-    double psave = pressure();
+    double rhoSave = density();
     double t = temperature();
     double pref = refPressure();
     double plow = 1.0E-8;
     Set(tpx::PropertyPair::TP, t, plow);
     getEntropy_R(er);
     er[0] -= log(pref/plow);
-    Set(tpx::PropertyPair::TP, t, psave);
+    Set(tpx::PropertyPair::TV, t, 1 / rhoSave);
 }
 
 doublereal PureFluidPhase::critTemperature() const