[Input] Create PureFluid objects from YAML definitions

src/thermo/PureFluidPhase.cpp

@@ -31,6 +31,10 @@ PureFluidPhase::PureFluidPhase() :
 
 void PureFluidPhase::initThermo()
 {
+    if (m_input.hasKey("pure-fluid-name")) {
+        setSubstance(m_input["pure-fluid-name"].asString());
+    }
+
     if (m_tpx_name != "") {
         m_sub.reset(tpx::newSubstance(m_tpx_name));
     } else {

src/thermo/ThermoFactory.cpp

@@ -60,6 +60,7 @@ ThermoFactory::ThermoFactory()
     reg("StoichSubstance", []() { return new StoichSubstance(); });
     m_synonyms["fixed-stoichiometry"] = "StoichSubstance";
     reg("PureFluid", []() { return new PureFluidPhase(); });
+    m_synonyms["pure-fluid"] = "PureFluid";
     reg("LatticeSolid", []() { return new LatticeSolidPhase(); });
     reg("Lattice", []() { return new LatticePhase(); });
     reg("HMW", []() { return new HMWSoln(); });

test/data/thermo-models.yaml

@@ -174,6 +174,10 @@ phases:
   thermo: Redlich-Kwong
   state: {T: 300, P: 200 atm, mole-fractions: {CO2: 0.9998, H2O: 0.0002}}
 
+- name: nitrogen
+  species: [N2]
+  thermo: pure-fluid
+  pure-fluid-name: nitrogen
 
 species:
 - name: NaCl(s)
@@ -276,6 +280,17 @@ species:
     model: constant-volume
     molar-volume: 0.01 m^3/kmol
 
+- name: N2
+  composition: {N: 2}
+  thermo:
+    model: NASA7
+    temperature-ranges: [300.0, 1000.0, 5000.0]
+    data:
+    - [3.298677, 0.0014082404, -3.963222e-06, 5.641515e-09, -2.444854e-12,
+      -1020.8999, 3.950372]
+    - [2.92664, 0.0014879768, -5.68476e-07, 1.0097038e-10, -6.753351e-15,
+      -922.7977, 5.980528]
+
 
 ideal-molal-fake-species:
 # Fake thermo data (GRI 3.0 coefficients for H2)

test/thermo/thermoFromYaml.cpp

@@ -324,3 +324,11 @@ TEST(ThermoFromYaml, RedlichKwong_CO2)
     EXPECT_NEAR(thermo->enthalpy_mass(), -8872890.9496462, 1e-6);
     EXPECT_NEAR(thermo->cp_mass(), 3358.439021094, 1e-8);
 }
+
+TEST(ThermoFromYaml, PureFluid_nitrogen)
+{
+    auto thermo = newThermo("thermo-models.yaml", "nitrogen");
+    thermo->setState_TP(70, 2*OneAtm);
+    EXPECT_NEAR(thermo->density(), 841.0420151, 1e-6);
+    EXPECT_NEAR(thermo->gibbs_mole(), -17654452.8821914, 1e-6);
+}