[Input] Create MaskellSolidSoln objects from YAML definitions

include/cantera/thermo/MaskellSolidSolnPhase.h

@@ -120,6 +120,7 @@ public:
     /// @name Utility Functions
     //@{
 
+    virtual void initThermo();
     virtual void initThermoXML(XML_Node& phaseNode, const std::string& id);
 
     void set_h_mix(const doublereal hmix) { h_mixing = hmix; }

src/thermo/MaskellSolidSolnPhase.cpp

@@ -175,6 +175,18 @@ void MaskellSolidSolnPhase::getStandardChemPotentials(doublereal* mu) const
 
 // Utility Functions
 
+void MaskellSolidSolnPhase::initThermo()
+{
+    if (m_input.hasKey("excess-enthalpy")) {
+        set_h_mix(m_input.convert("excess-enthalpy", "J/kmol"));
+    }
+    if (m_input.hasKey("product-species")) {
+        setProductSpecies(m_input["product-species"].asString());
+    }
+    VPStandardStateTP::initThermo();
+}
+
+
 void MaskellSolidSolnPhase::initThermoXML(XML_Node& phaseNode, const std::string& id_)
 {
     if (id_.size() > 0 && phaseNode.id() != id_) {

src/thermo/ThermoFactory.cpp

@@ -79,6 +79,7 @@ ThermoFactory::ThermoFactory()
     reg("RedlichKwong", []() { return new RedlichKwongMFTP(); });
     m_synonyms["RedlichKwongMFTP"] = "RedlichKwong";
     reg("MaskellSolidSolnPhase", []() { return new MaskellSolidSolnPhase(); });
+    m_synonyms["Maskell-solid-solution"] = "MaskellSolidSolnPhase";
     reg("PureLiquidWater", []() { return new WaterSSTP(); });
     m_synonyms["water-IAPWS95"] = "PureLiquidWater";
     reg("BinarySolutionTabulatedThermo", []() { return new BinarySolutionTabulatedThermo(); });

test/data/thermo-models.yaml

@@ -112,6 +112,14 @@ phases:
                       -2.129e+07, -1.722e+08, 3.956e+07, 9.302e+07, -3.280e+07]
     excess-entropy: [0.0]
 
+- name: MaskellSolidSoln
+  thermo: Maskell-solid-solution
+  species: [H(s), He(s)]
+  excess-enthalpy: 5 J/mol
+  state: {T: 298, P: 1 atm, X: {H(s): 0.3, He(s): 0.7}}
+  product-species: H(s)
+
+
 species:
 - name: NaCl(s)
   composition: {Na: 1, Cl: 1}
@@ -196,6 +204,23 @@ species:
     model: constant-volume
     molar-volume: 0.036 m^3/kmol
 
+- name: H(s)
+  composition: {H: 1, He: 2}
+  thermo:
+    model: constant-cp
+  equation-of-state:
+    model: constant-volume
+    molar-volume: 0.005 m^3/kmol
+
+- name: He(s)
+  composition: {He: 1}
+  thermo:
+    model: constant-cp
+    h0: 1000
+  equation-of-state:
+    model: constant-volume
+    molar-volume: 0.01 m^3/kmol
+
 
 ideal-molal-fake-species:
 # Fake thermo data (GRI 3.0 coefficients for H2)

test/thermo/thermoFromYaml.cpp

@@ -260,3 +260,15 @@ TEST(ThermoFromYaml, RedlichKister)
     EXPECT_NEAR(chemPotentials[0], -1.1792994839484975e+07, 1e-6);
     EXPECT_NEAR(dlnActCoeffdx[0], -0.309379, 1e-6);
 }
+
+TEST(ThermoFromYaml, MaskellSolidSoln)
+{
+    AnyMap infile = AnyMap::fromYamlFile("thermo-models.yaml");
+    auto phaseNodes = infile["phases"].asMap("name");
+    auto thermo = newPhase(*phaseNodes.at("MaskellSolidSoln"), infile);
+
+    vector_fp chemPotentials(2);
+    thermo->getChemPotentials(chemPotentials.data());
+    EXPECT_NEAR(chemPotentials[0], -4.989677478024063e6, 1e-6);
+    EXPECT_NEAR(chemPotentials[1], 4.989677478024063e6 + 1000, 1e-6);
+}