38d291c683
The reference pressure (p0) must be species-specific, since for certain PDSS classes (e.g. PDSS_Water) p0 is a function of temperature, while for other classes (PDSS_ConstVol) it is a constant. VPSSMgr_Water_ConstVol further assumed that the reference pressure for all species was 1 atm, ignoring the setting in the PDSS object. Fixing this changed test results for HMW_test_1 and HMW_test_3. Added a test that specifically compares VPSSMgr_Water_ConstVol with VPSSMgr_General.
59 lines
1.8 KiB
C++
59 lines
1.8 KiB
C++
#include "gtest/gtest.h"
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#include "cantera/thermo/HMWSoln.h"
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using namespace Cantera;
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TEST(HMW, VPSSMgrGeneral_vs_VPSSMgrWater_ConstVol)
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{
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// Calculations should give the same result using either the generic
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// VPSSMgr_General class or one of the more specialized classes such as
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// VPSSMgr_Water_ConstVol.
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HMWSoln p1("../data/HMW_NaCl.xml", "water_constvol");
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HMWSoln p2("../data/HMW_NaCl.xml", "general");
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size_t n = p1.nSpecies();
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vector_fp molalities(n);
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p1.getMolalities(molalities.data());
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molalities[2] = 2.1628E-9;
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molalities[3] = 6.0997;
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molalities[4] = 1.3977E-6;
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molalities[1] = molalities[2] + molalities[3] - molalities[4];
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p1.setMolalities(molalities.data());
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p2.setMolalities(molalities.data());
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p1.setState_TP(310.15, 201325);
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p2.setState_TP(310.15, 201325);
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vector_fp v1(n);
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vector_fp v2(n);
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p1.getStandardVolumes(v1.data());
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p2.getStandardVolumes(v2.data());
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for (size_t i = 0; i < n; i++) {
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EXPECT_NEAR(v1[i], v2[i], 1e-9) << p1.speciesName(i);
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}
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p1.getCp_R(v1.data());
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p2.getCp_R(v2.data());
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for (size_t i = 0; i < n; i++) {
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EXPECT_NEAR(v1[i], v2[i], 1e-10) << p1.speciesName(i);
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}
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p1.getEntropy_R(v1.data());
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p2.getEntropy_R(v2.data());
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for (size_t i = 0; i < n; i++) {
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EXPECT_NEAR(v1[i], v2[i], 1e-10) << p1.speciesName(i);
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}
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p1.getEnthalpy_RT(v1.data());
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p2.getEnthalpy_RT(v2.data());
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for (size_t i = 0; i < n; i++) {
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EXPECT_NEAR(v1[i], v2[i], 1e-10) << p1.speciesName(i);
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}
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p1.getChemPotentials_RT(v1.data());
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p2.getChemPotentials_RT(v2.data());
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for (size_t i = 0; i < n; i++) {
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EXPECT_NEAR(v1[i], v2[i], 1e-10) << p1.speciesName(i);
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}
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EXPECT_NEAR(p1.entropy_mole(), p2.entropy_mole(), 1e-7);
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EXPECT_NEAR(p1.enthalpy_mole(), p2.enthalpy_mole(), 1e-4);
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}
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