C++ (Cpp) MargulesVPSSTP::installPDSS Examples

Example #1

File: phaseConstructors.cpp Project: wbessler/cantera

TEST(MargulesVPSSTP, fromScratch)
{
    MargulesVPSSTP p;
    auto sKCl = make_shomate_species("KCl(L)", "K:1 Cl:1", kcl_shomate_coeffs);
    auto sLiCl = make_shomate_species("LiCl(L)", "Li:1 Cl:1", licl_shomate_coeffs);
    p.addSpecies(sKCl);
    p.addSpecies(sLiCl);
    size_t k = 0;
    for (double v : {0.03757, 0.020304}) {
        std::unique_ptr<PDSS_ConstVol> ss(new PDSS_ConstVol());
        ss->setMolarVolume(v);
        p.installPDSS(k++, std::move(ss));
    }
    p.initThermo();
    p.setState_TPX(900, 101325, "KCl(L):0.3, LiCl(L):0.7");
    p.addBinaryInteraction("KCl(L)", "LiCl(L)",
        -1.757e7, -3.77e5, -7.627e3, 4.958e3, 0.0, 0.0, 0.0, 0.0);

    // Regression test based on LiKCl_liquid.xml
    EXPECT_NEAR(p.density(), 2042.1165603245981, 1e-9);
    EXPECT_NEAR(p.gibbs_mass(), -9682981.421693124, 1e-5);
    EXPECT_NEAR(p.cp_mole(), 67478.48085733457, 1e-8);
}