53abe2ee9a
The specialized SpeciesThermo derived types offer no performance benefit now that GeneralSpeciesThermo manages calculation of the temperature terms efficiently.
115 lines
4.2 KiB
C++
115 lines
4.2 KiB
C++
#include "gtest/gtest.h"
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#include "cantera/thermo/speciesThermoTypes.h"
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#include "cantera/thermo/SimpleThermo.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/GeneralSpeciesThermo.h"
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#include "cantera/thermo/NasaPoly2.h"
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#include "cantera/thermo/ShomatePoly.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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void makePhase0() {
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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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st = &p.speciesThermo();
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}
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void makePhase1() {
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makePhase0();
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p.addSpecies("O2", o2_comp);
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p.addSpecies("H2", h2_comp);
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p.addSpecies("H2O", h2o_comp);
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}
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void makePhase2() {
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makePhase0();
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p.addSpecies("CO", co_comp);
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p.addSpecies("CO2", co2_comp);
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}
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IdealGasPhase p;
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SpeciesThermo* st;
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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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makePhase1();
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SpeciesThermoInterpType* stit_o2 = new ConstCpPoly(0, 200, 5000, 101325, c_o2);
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SpeciesThermoInterpType* stit_h2 = new ConstCpPoly(1, 200, 5000, 101325, c_h2);
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SpeciesThermoInterpType* stit_h2o = new ConstCpPoly(2, 200, 5000, 101325, c_h2o);
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st->install_STIT(stit_o2);
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st->install_STIT(stit_h2);
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st->install_STIT(stit_h2o);
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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_FLOAT_EQ(p2.meanMolecularWeight(), p.meanMolecularWeight());
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EXPECT_FLOAT_EQ(p2.enthalpy_mass(), p.enthalpy_mass());
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EXPECT_FLOAT_EQ(p2.entropy_mass(), p.entropy_mass());
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EXPECT_FLOAT_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 GeneralSpeciesThermo does not enforce reference
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// pressure consistency.
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makePhase1();
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SpeciesThermoInterpType* stit_o2 = new ConstCpPoly(0, 200, 5000, 101325, c_o2);
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SpeciesThermoInterpType* stit_h2 = new ConstCpPoly(1, 200, 5000, 100000, c_h2);
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st->install_STIT(stit_o2);
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// Pref does not match
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ASSERT_THROW(st->install_STIT(stit_h2), CanteraError);
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delete stit_h2;
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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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makePhase1();
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SpeciesThermoInterpType* stit_o2 = new NasaPoly2(0, 200, 3500, 101325, o2_nasa_coeffs);
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SpeciesThermoInterpType* stit_h2 = new NasaPoly2(1, 200, 3500, 101325, h2_nasa_coeffs);
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SpeciesThermoInterpType* stit_h2o = new NasaPoly2(2, 200, 3500, 101325, h2o_nasa_coeffs);
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st->install_STIT(stit_o2);
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st->install_STIT(stit_h2);
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st->install_STIT(stit_h2o);
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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_FLOAT_EQ(p2.meanMolecularWeight(), p.meanMolecularWeight());
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EXPECT_FLOAT_EQ(p2.enthalpy_mass(), p.enthalpy_mass());
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EXPECT_FLOAT_EQ(p2.entropy_mass(), p.entropy_mass());
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EXPECT_FLOAT_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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makePhase2();
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SpeciesThermoInterpType* stit_co = new ShomatePoly2(0, 200, 6000, 101325, co_shomate_coeffs);
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SpeciesThermoInterpType* stit_co2 = new ShomatePoly2(1, 200, 6000, 101325, co2_shomate_coeffs);
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st->install_STIT(stit_co);
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st->install_STIT(stit_co2);
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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_FLOAT_EQ(p2.meanMolecularWeight(), p.meanMolecularWeight());
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EXPECT_FLOAT_EQ(p2.enthalpy_mass(), p.enthalpy_mass());
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EXPECT_FLOAT_EQ(p2.entropy_mass(), p.entropy_mass());
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EXPECT_FLOAT_EQ(p2.cp_mass(), p.cp_mass());
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}
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