Simplify Molar Mixture Properties

include/cantera/base/Solution.h

@@ -109,6 +109,11 @@ class Solution : public std::enable_shared_from_this<Solution>
          return m_adjacent.size();
     }
 
+    //! Get the name of an adjacent phase by index
+    string adjacentName(size_t i) const {
+        return m_adjacent.at(i)->name();
+    }
+
     AnyMap parameters(bool withInput=false) const;
 
     //! Access input data associated with header definition

include/cantera/thermo/DebyeHuckel.h

@@ -431,32 +431,6 @@ class DebyeHuckel : public MolalityVPSSTP
         return "Debye-Huckel";
     }
 
-    //! @}
-    //! @name  Molar Thermodynamic Properties of the Solution
-    //! @{
-
-    double enthalpy_mole() const override;
-
-    //! Molar entropy. Units: J/kmol/K.
-    /**
-     * For an ideal, constant partial molar volume solution mixture with
-     * pure species phases which exhibit zero volume expansivity:
-     * @f[
-     * \hat s(T, P, X_k) = \sum_k X_k \hat s^0_k(T)
-     *      - \hat R  \sum_k X_k \ln(X_k)
-     * @f]
-     * The reference-state pure-species entropies
-     * @f$ \hat s^0_k(T,p_{ref}) @f$ are computed by the
-     *  species thermodynamic
-     * property manager. The pure species entropies are independent of
-     * temperature since the volume expansivities are equal to zero.
-     * @see MultiSpeciesThermo
-     */
-    double entropy_mole() const override;
-
-    double gibbs_mole() const override;
-    double cp_mole() const override;
-
     //! @}
     //! @name Mechanical Equation of State Properties
     //!
@@ -911,9 +885,6 @@ class DebyeHuckel : public MolalityVPSSTP
     //! Pointer to the water property calculator
     unique_ptr<WaterProps> m_waterProps;
 
-    //! vector of size m_kk, used as a temporary holding area.
-    mutable vector<double> m_tmpV;
-
     /**
      * Stoichiometric species charge -> This is for calculations
      * of the ionic strength which ignore ion-ion pairing into

include/cantera/thermo/HMWSoln.h

@@ -804,8 +804,6 @@ class HMWSoln : public MolalityVPSSTP
     //! @name  Molar Thermodynamic Properties of the Solution
     //! @{
 
-    double enthalpy_mole() const override;
-
     /**
      * Excess molar enthalpy of the solution from
      * the mixing process. Units: J/ kmol.
@@ -823,29 +821,6 @@ class HMWSoln : public MolalityVPSSTP
      */
     virtual double relative_molal_enthalpy() const;
 
-    //! Molar entropy. Units: J/kmol/K.
-    /**
-     * Molar entropy of the solution. Units: J/kmol/K. For an ideal, constant
-     * partial molar volume solution mixture with pure species phases which
-     * exhibit zero volume expansivity:
-     * @f[
-     * \hat s(T, P, X_k) = \sum_k X_k \hat s^0_k(T)
-     *      - \hat R  \sum_k X_k \ln(X_k)
-     * @f]
-     * The reference-state pure-species entropies @f$ \hat s^0_k(T,p_{ref}) @f$
-     * are computed by the species thermodynamic property manager. The pure
-     * species entropies are independent of temperature since the volume
-     * expansivities are equal to zero.
-     * @see MultiSpeciesThermo
-     *
-     *      (HKM -> Bump up to Parent object)
-     */
-    double entropy_mole() const override;
-
-    double gibbs_mole() const override;
-
-    double cp_mole() const override;
-
     double cv_mole() const override;
 
     //! @}
@@ -1422,9 +1397,6 @@ class HMWSoln : public MolalityVPSSTP
     //! Pointer to the water property calculator
     unique_ptr<WaterProps> m_waterProps;
 
-    //! vector of size m_kk, used as a temporary holding area.
-    mutable vector<double> m_tmpV;
-
     /**
      *  Array of 2D data used in the Pitzer/HMW formulation. Beta0_ij[i][j] is
      *  the value of the Beta0 coefficient for the ij salt. It will be nonzero

include/cantera/thermo/IdealGasPhase.h

@@ -289,7 +289,7 @@ class IdealGasPhase: public ThermoPhase
      * enthalpies @f$ \hat h^0_k(T) @f$ are computed by the species
      * thermodynamic property manager.
      *
-     * \see MultiSpeciesThermo
+     * @see MultiSpeciesThermo
      */
     double enthalpy_mole() const override {
         return RT() * mean_X(enthalpy_RT_ref());

include/cantera/thermo/IdealMolalSoln.h

@@ -89,22 +89,6 @@ class IdealMolalSoln : public MolalityVPSSTP
     //! @name  Molar Thermodynamic Properties of the Solution
     //! @{
 
-    //! Molar enthalpy of the solution. Units: J/kmol.
-    /*!
-     * Returns the amount of enthalpy per mole of solution. For an ideal molal
-     * solution,
-     * @f[
-     * \bar{h}(T, P, X_k) = \sum_k X_k \bar{h}_k(T)
-     * @f]
-     * The formula is written in terms of the partial molar enthalpies.
-     * @f$ \bar{h}_k(T, p, m_k) @f$.
-     * See the partial molar enthalpy function, getPartialMolarEnthalpies(),
-     * for details.
-     *
-     * Units: J/kmol
-     */
-    double enthalpy_mole() const override;
-
     //! Molar internal energy of the solution: Units: J/kmol.
     /*!
      * Returns the amount of internal energy per mole of solution. For an ideal
@@ -117,44 +101,6 @@ class IdealMolalSoln : public MolalityVPSSTP
      */
     double intEnergy_mole() const override;
 
-    //! Molar entropy of the solution. Units: J/kmol/K.
-    /*!
-     * Returns the amount of entropy per mole of solution. For an ideal molal
-     * solution,
-     * @f[
-     * \bar{s}(T, P, X_k) = \sum_k X_k \bar{s}_k(T)
-     * @f]
-     * The formula is written in terms of the partial molar entropies.
-     * @f$ \bar{s}_k(T, p, m_k) @f$.
-     * See the partial molar entropies function, getPartialMolarEntropies(),
-     * for details.
-     *
-     * Units: J/kmol/K.
-     */
-    double entropy_mole() const override;
-
-    //! Molar Gibbs function for the solution: Units J/kmol.
-    /*!
-     * Returns the Gibbs free energy of the solution per mole of the solution.
-     *
-     * @f[
-     * \bar{g}(T, P, X_k) = \sum_k X_k \mu_k(T)
-     * @f]
-     *
-     * Units: J/kmol
-     */
-    double gibbs_mole() const override;
-
-    //! Molar heat capacity of the solution at constant pressure. Units: J/kmol/K.
-    /*!
-     * @f[
-     * \bar{c}_p(T, P, X_k) = \sum_k X_k \bar{c}_{p,k}(T)
-     * @f]
-     *
-     * Units: J/kmol/K
-     */
-    double cp_mole() const override;
-
     //! @}
     //! @name Mechanical Equation of State Properties
     //!
@@ -165,9 +111,6 @@ class IdealMolalSoln : public MolalityVPSSTP
     //! cause an exception to be thrown.
     //! @{
 
-protected:
-    void calcDensity() override;
-
 public:
     //! The isothermal compressibility. Units: 1/Pa.
     /*!
@@ -404,9 +347,6 @@ class IdealMolalSoln : public MolalityVPSSTP
     int IMS_typeCutoff_ = 0;
 
 private:
-    //! vector of size m_kk, used as a temporary holding area.
-    mutable vector<double> m_tmpV;
-
     //! Logarithm of the molal activity coefficients
     /*!
      *   Normally these are all one. However, stability schemes will change that

include/cantera/thermo/IdealSolidSolnPhase.h

@@ -70,20 +70,6 @@ class IdealSolidSolnPhase : public ThermoPhase
     //! @name Molar Thermodynamic Properties of the Solution
     //! @{
 
-    /**
-     * Molar enthalpy 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 h(T,P) = \sum_k X_k \hat h^0_k(T) + (P - P_{ref}) (\sum_k X_k \hat V^0_k)
-     * @f]
-     * The reference-state pure-species enthalpies at the reference pressure Pref
-     * @f$ \hat h^0_k(T) @f$, are computed by the species thermodynamic
-     * property manager. They are polynomial functions of temperature.
-     * @see MultiSpeciesThermo
-     */
-    double enthalpy_mole() const override;
-
     /**
      * Molar entropy of the solution. Units: J/kmol/K. For an ideal, constant
      * partial molar volume solution mixture with pure species phases which

include/cantera/thermo/LatticePhase.h

@@ -218,7 +218,7 @@ class LatticePhase : public ThermoPhase
      * computed first by the species reference state thermodynamic property
      * manager and then a small pressure dependent term is added in.
      *
-     * \see MultiSpeciesThermo
+     * @see MultiSpeciesThermo
      */
     double enthalpy_mole() const override;
 
@@ -240,6 +240,12 @@ class LatticePhase : public ThermoPhase
      */
     double entropy_mole() const override;
 
+    //! Molar Gibbs function of the solution. Units: J/kmol
+    /*!
+     * Uses thermodynamic property relations.
+     */
+    double gibbs_mole() const override;
+
     //! Molar heat capacity at constant pressure of the solution.
     //! Units: J/kmol/K.
     /*!

include/cantera/thermo/MargulesVPSSTP.h

@@ -230,9 +230,6 @@ class MargulesVPSSTP : public GibbsExcessVPSSTP
     //! @name  Molar Thermodynamic Properties
     //! @{
 
-    double enthalpy_mole() const override;
-    double entropy_mole() const override;
-    double cp_mole() const override;
     double cv_mole() const override;
 
     //! @}

include/cantera/thermo/MixtureFugacityTP.h

@@ -265,8 +265,6 @@ class MixtureFugacityTP : public ThermoPhase
      */
     virtual void _updateReferenceStateThermo() const;
 
-    //! Temporary storage - length = m_kk.
-    mutable vector<double> m_tmpV;
 public:
 
     //! @name Thermodynamic Values for the Species Reference States

include/cantera/thermo/Phase.h

@@ -874,6 +874,9 @@ class Phase
     //! Flag determining whether case sensitive species names are enforced
     bool m_caseSensitiveSpecies = false;
 
+    //! Vector of size m_kk, used as a temporary holding area.
+    mutable vector<double> m_tmpV;
+
 private:
     //! Find lowercase species name in m_speciesIndices when case sensitive
     //! species names are not enforced and a user specifies a non-canonical

include/cantera/thermo/PlasmaPhase.h

@@ -213,7 +213,7 @@ class PlasmaPhase: public IdealGasPhase
      * enthalpies @f$ \hat h^0_k(T) @f$ are computed by the species
      * thermodynamic property manager.
      *
-     * \see MultiSpeciesThermo
+     * @see MultiSpeciesThermo
      */
     double enthalpy_mole() const override;
 

include/cantera/thermo/RedlichKisterVPSSTP.h

@@ -248,9 +248,6 @@ class RedlichKisterVPSSTP : public GibbsExcessVPSSTP
     //! @name  Molar Thermodynamic Properties
     //! @{
 
-    double enthalpy_mole() const override;
-    double entropy_mole() const override;
-    double cp_mole() const override;
     double cv_mole() const override;
 
     //! @}

include/cantera/thermo/SurfPhase.h

@@ -124,7 +124,7 @@ class SurfPhase : public ThermoPhase
      * Enthalpies @f$ \hat h^0_k(T) @f$ are computed by the species
      * thermodynamic property manager.
      *
-     * \see MultiSpeciesThermo
+     * @see MultiSpeciesThermo
      */
     double enthalpy_mole() const override;