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[Test] Add more checks to DebyeHuckel.fromScratch

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Change species molar volumes to match DH_NaCl_bdotak.xml
This commit is contained in:
Ray Speth 2019-01-15 22:53:54 -05:00
parent fb1054a259
commit 07aadbce6c
1 changed files with 9 additions and 1 deletions
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10
test/thermo/phaseConstructors.cpp
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@ -448,7 +448,7 @@ TEST(DebyeHuckel, fromScratch)
std::unique_ptr<PDSS_Water> ss(new PDSS_Water());
p.installPDSS(0, std::move(ss));
size_t k = 1;
for (double v : {0.0, 1.3, 1.3, 1.3, 1.3}) {
for (double v : {1.3, 1.3, 0.0, 1.3, 1.3}) {
std::unique_ptr<PDSS_ConstVol> ss(new PDSS_ConstVol());
ss->setMolarVolume(v);
p.installPDSS(k++, std::move(ss));
@ -464,11 +464,19 @@ TEST(DebyeHuckel, fromScratch)
"OH-:1.3765E-6,NaCl(aq):0.98492");
// Regression test based on XML input file
EXPECT_NEAR(p.density(), 60.296, 2e-2);
EXPECT_NEAR(p.cp_mass(), 1.58213e5, 2e0);
EXPECT_NEAR(p.entropy_mass(), 4.01268e3, 2e-2);
vector_fp actcoeff(p.nSpecies());
vector_fp mu_ss(p.nSpecies());
p.getMolalityActivityCoefficients(actcoeff.data());
p.getStandardChemPotentials(mu_ss.data());
double act_ref[] = {1.21762, 0.538061, 0.472329, 0.717707, 0.507258, 1.0};
double mu_ss_ref[] = {-3.06816e+08, -2.57956e+08, -1.84117e+08, 0.0,
-2.26855e+08, -4.3292e+08};
for (size_t k = 0; k < p.nSpecies(); k++) {
EXPECT_NEAR(actcoeff[k], act_ref[k], 1e-5);
EXPECT_NEAR(mu_ss[k], mu_ss_ref[k], 1e3);
}
}