2c005759b7
The new class is named MultiSpeciesThermo, so that (eventually) the name SpeciesThermo can be used for the single-species class SpeciesThermoInterpType. Currently, trivial wrappers for classes named SpeciesThermo and GeneralSpeciesThermo to maintain backwards compatibiity for Cantera 2.3.
121 lines
4.7 KiB
C++
121 lines
4.7 KiB
C++
#include "gtest/gtest.h"
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#include "cantera/thermo/speciesThermoTypes.h"
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#include "cantera/thermo/IdealGasPhase.h"
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#include "cantera/thermo/ConstCpPoly.h"
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#include "cantera/thermo/NasaPoly2.h"
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#include "cantera/thermo/ShomatePoly.h"
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#include "cantera/base/stringUtils.h"
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#include "thermo_data.h"
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using namespace Cantera;
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class SpeciesThermoInterpTypeTest : public testing::Test
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{
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public:
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SpeciesThermoInterpTypeTest() {
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p.addElement("H");
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p.addElement("O");
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p.addElement("C");
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}
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IdealGasPhase p;
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};
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// {T0, h0, s0, cp0} (in J/kmol)
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double c_o2[] = {298.15, 0.0, 2.05152e5, 2.939e4};
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double c_h2[] = {298.15, 0.0, 1.3068e5, 2.885e4};
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double c_h2o[] = {298.15, -2.41826e8, 1.8884e5, 3.522e4};
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double c_co2[] = {298.15, -3.9351e8, 2.13785e5, 3.712e4};
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TEST_F(SpeciesThermoInterpTypeTest, install_const_cp)
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{
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// Compare against instantiation from CTI file
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IdealGasPhase p2("../data/simplephases.cti", "simple1");
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auto sO2 = make_shared<Species>("O2", parseCompString("O:2"));
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auto sH2 = make_shared<Species>("H2", parseCompString("H:2"));
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auto sH2O = make_shared<Species>("H2O", parseCompString("H:2 O:1"));
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sO2->thermo.reset(new ConstCpPoly(200, 5000, 101325, c_o2));
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sH2->thermo.reset(new ConstCpPoly(200, 5000, 101325, c_h2));
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sH2O->thermo.reset(new ConstCpPoly(200, 5000, 101325, c_h2o));
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p.addSpecies(sO2);
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p.addSpecies(sH2);
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p.addSpecies(sH2O);
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p.initThermo();
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p2.setState_TPX(298.15, 101325, "H2:0.2, O2:0.7, H2O:0.1");
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p.setState_TPX(298.15, 101325, "H2:0.2, O2:0.7, H2O:0.1");
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EXPECT_DOUBLE_EQ(p2.meanMolecularWeight(), p.meanMolecularWeight());
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EXPECT_DOUBLE_EQ(p2.enthalpy_mass(), p.enthalpy_mass());
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EXPECT_DOUBLE_EQ(p2.entropy_mass(), p.entropy_mass());
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EXPECT_DOUBLE_EQ(p2.cp_mass(), p.cp_mass());
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}
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TEST_F(SpeciesThermoInterpTypeTest, DISABLED_install_bad_pref)
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{
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// Currently broken because MultiSpeciesThermo does not enforce reference
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// pressure consistency.
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auto sO2 = make_shared<Species>("O2", parseCompString("O:2"));
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auto sH2 = make_shared<Species>("H2", parseCompString("H:2"));
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sO2->thermo.reset(new ConstCpPoly(200, 5000, 101325, c_o2));
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sH2->thermo.reset(new ConstCpPoly(200, 5000, 100000, c_h2));
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p.addSpecies(sO2);
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// Pref does not match
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ASSERT_THROW(p.addSpecies(sH2), CanteraError);
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}
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TEST_F(SpeciesThermoInterpTypeTest, install_nasa)
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{
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// Compare against instantiation from CTI file
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IdealGasPhase p2("../data/simplephases.cti", "nasa1");
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auto sO2 = make_shared<Species>("O2", parseCompString("O:2"));
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auto sH2 = make_shared<Species>("H2", parseCompString("H:2"));
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auto sH2O = make_shared<Species>("H2O", parseCompString("H:2 O:1"));
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sO2->thermo.reset(new NasaPoly2(200, 3500, 101325, o2_nasa_coeffs));
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sH2->thermo.reset(new NasaPoly2(200, 3500, 101325, h2_nasa_coeffs));
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sH2O->thermo.reset(new NasaPoly2(200, 3500, 101325, h2o_nasa_coeffs));
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p.addSpecies(sO2);
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p.addSpecies(sH2);
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p.addSpecies(sH2O);
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p.initThermo();
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p2.setState_TPX(900, 101325, "H2:0.2, O2:0.7, H2O:0.1");
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p.setState_TPX(900, 101325, "H2:0.2, O2:0.7, H2O:0.1");
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EXPECT_DOUBLE_EQ(p2.meanMolecularWeight(), p.meanMolecularWeight());
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EXPECT_DOUBLE_EQ(p2.enthalpy_mass(), p.enthalpy_mass());
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EXPECT_DOUBLE_EQ(p2.entropy_mass(), p.entropy_mass());
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EXPECT_DOUBLE_EQ(p2.cp_mass(), p.cp_mass());
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}
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TEST_F(SpeciesThermoInterpTypeTest, install_shomate)
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{
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// Compare against instantiation from CTI file
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IdealGasPhase p2("../data/simplephases.cti", "shomate1");
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auto sCO = make_shared<Species>("CO", parseCompString("C:1 O:1"));
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auto sCO2 = make_shared<Species>("CO2", parseCompString("C:1 O:2"));
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sCO->thermo.reset(new ShomatePoly2(200, 6000, 101325, co_shomate_coeffs));
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sCO2->thermo.reset(new ShomatePoly2(200, 6000, 101325, co2_shomate_coeffs));
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p.addSpecies(sCO);
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p.addSpecies(sCO2);
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p.initThermo();
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p2.setState_TPX(900, 101325, "CO:0.2, CO2:0.8");
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p.setState_TPX(900, 101325, "CO:0.2, CO2:0.8");
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EXPECT_DOUBLE_EQ(p2.meanMolecularWeight(), p.meanMolecularWeight());
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EXPECT_DOUBLE_EQ(p2.enthalpy_mass(), p.enthalpy_mass());
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EXPECT_DOUBLE_EQ(p2.entropy_mass(), p.entropy_mass());
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EXPECT_DOUBLE_EQ(p2.cp_mass(), p.cp_mass());
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}
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TEST(Shomate, modifyOneHf298)
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{
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ShomatePoly2 S(200, 6000, 101325, co2_shomate_coeffs);
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double hf = S.reportHf298();
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EXPECT_NEAR(-393.5224e6, hf, 1e4);
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double Htest = -400e6;
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S.modifyOneHf298(npos, Htest);
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double cp, h, s;
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S.updatePropertiesTemp(298.15, &cp, &h, &s);
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EXPECT_DOUBLE_EQ(Htest, h * 298.15 * GasConstant);
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EXPECT_DOUBLE_EQ(Htest, S.reportHf298());
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S.resetHf298();
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S.updatePropertiesTemp(298.15, &cp, &h, &s);
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EXPECT_DOUBLE_EQ(hf, h * 298.15 * GasConstant);
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}
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