[Test] Add some SpeciesThermoInterpType tests
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Ray Speth
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36
test/data/simplephases.cti
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36
test/data/simplephases.cti
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units(length="m", time="s", quantity="mol", energy="J")
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ideal_gas(name="simple1",
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elements = "H O C",
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species = " O2 H2 H2O ")
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ideal_gas(name="nasa1",
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elements = "H O C",
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species = "gri30: O2 H2 H2O ")
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ideal_gas(name="shomate1",
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elements = "H O C",
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species = "CO CO2")
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species(name="O2", atoms="O:2",
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thermo=const_cp(h0=0.0, s0=205.152, cp0=29.39))
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species(name="H2", atoms="H:2",
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thermo=const_cp(h0=0.0, s0=130.680, cp0=28.85))
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species(name="H2O", atoms="H:2 O:1",
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thermo=const_cp(h0=-241826.0, s0=188.84, cp0=35.22))
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species(name="CO", atoms="C:1 O:1",
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thermo=(Shomate([298, 1300],
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[25.56759, 6.096130, 4.054656, -2.671301,
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0.131021, -118.0089, 227.3665]),
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Shomate([1300, 6000],
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[35.15070, 1.300095, -0.205921, 0.013550,
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-3.282780, -127.8375, 231.7120])))
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species(name="CO2", atoms="C:1 O:2",
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thermo=(Shomate([298, 1200],
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[24.99735, 55.18696, -33.69137, 7.948387,
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-0.136638, -403.6075, 228.2431]),
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Shomate([1200, 6000],
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[58.16639, 2.720074,-0.492289, 0.038844,
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-6.447293,-425.9186, 263.6125])))
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127
test/thermo/thermoParameterizations.cpp
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127
test/thermo/thermoParameterizations.cpp
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#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 = new GeneralSpeciesThermo();
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p.setSpeciesThermo(st);
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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, missing_species)
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{
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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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st->install_STIT(stit_o2);
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st->install_STIT(stit_h2);
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// Thermo data for H2O not given
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EXPECT_THROW(p.initThermo(), CanteraError);
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}
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TEST_F(SpeciesThermoInterpTypeTest, install_bad_pref)
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{
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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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SpeciesThermo* st = new GeneralSpeciesThermo();
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p.setSpeciesThermo(st);
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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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44
test/thermo/thermo_data.h
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44
test/thermo/thermo_data.h
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namespace {
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// 2-region NASA coefficients; Order is significantly different from the
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// standard NASA format.
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const double h2o_nasa_coeffs[] = {
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1000.0, -3.029372670E+04, -8.490322080E-01, 4.198640560E+00,
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-2.036434100E-03, 6.520402110E-06, -5.487970620E-09, 1.771978170E-12,
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-3.000429710E+04, 4.966770100E+00, 3.033992490E+00, 2.176918040E-03,
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-1.640725180E-07, -9.704198700E-11, 1.682009920E-14};
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const double h2o_comp[] = {2.0, 1.0, 0.0};
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const double h2_nasa_coeffs[] = {
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1000.0, -9.17935173E+02, 6.83010238E-01, 2.34433112E+00,
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7.98052075E-03, -1.94781510E-05, 2.01572094E-08, -7.37611761E-12,
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-9.50158922E+02, -3.20502331E+00, 3.33727920E+00, -4.94024731E-05,
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4.99456778E-07, -1.79566394E-10, 2.00255376E-14};
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const double h2_comp[] = {2.0, 0.0, 0.0};
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const double o2_nasa_coeffs[] = {
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1000.0, -1.063943560E+03, 3.657675730E+00, 3.782456360E+00,
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-2.996734160E-03, 9.847302010E-06, -9.681295090E-09, 3.243728370E-12,
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-1.088457720E+03, 5.453231290E+00, 3.282537840E+00, 1.483087540E-03,
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-7.579666690E-07, 2.094705550E-10, -2.167177940E-14};
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const double o2_comp[] = {0.0, 2.0, 0.0};
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const double oh_nasa_coeffs[] = {
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1000.0, 3.615080560E+03, -1.039254580E-01, 3.992015430E+00,
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-2.401317520E-03, 4.617938410E-06, -3.881133330E-09, 1.364114700E-12,
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3.858657000E+03, 4.476696100E+00, 3.092887670E+00, 5.484297160E-04,
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1.265052280E-07, -8.794615560E-11, 1.174123760E-14};
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const double oh_comp[] = {1.0, 1.0, 0.0};
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// 2-region Shomate coefficients (from NIST Chemistry WebBook)
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const double co2_shomate_coeffs[] = {
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1200.0, 24.99735, 55.18696, -33.69137, 7.948387, -0.136638, -403.6075, 228.2431,
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58.16639, 2.720074, -0.492289, 0.038844, -6.447293, -425.9186, 263.6125};
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const double co2_comp[] = {0.0, 2.0, 1.0};
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const double co_shomate_coeffs[] = {
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1300.0, 25.56759, 6.096130, 4.054656, -2.671301, 0.131021, -118.0089, 227.3665,
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35.15070, 1.300095, -0.205921, 0.013550, -3.282780, -127.8375, 231.7120};
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const double co_comp[] = {0.0, 1.0, 1.0};
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}
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