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Add consistency tests for HMW electrolyte phase
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speth committed Jun 9, 2022
1 parent d9b2ef4 commit 7390d3b
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13 changes: 13 additions & 0 deletions test/data/consistency-cases.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -372,3 +372,16 @@ ions-from-neutral-molecule:
states:
- {T: 300, P: 1 atm, X: {K+: 0.1, Cl-: 0.1}}
- {T: 500, P: 5 bar, X: {K+: 0.1, Cl-: 0.1}}

HMW-electrolyte:
setup:
file: HMW_NaCl.yaml
known-failures:
cp_eq_dhdT: "Moderate discrepancies. See GitHub Issue #1324"
cp_eq_dsdT_const_p_times_T: "Moderate discrepancies. See GitHub Issue #1324"
dsdP_const_T_eq_minus_dV_dT_const_P: "Moderate discrepancies. See GitHub Issue #1324"
activity_coeffs: "Major discrepancies for all solute species. See GitHub Issue #1324"
states:
- {T: 300, P: 1 atm, molalities: {Na+: 9.4, Cl-: 9.4, H+: 1.05e-05, OH-: 1.0e-05}}
- {T: 330, P: 1 atm, molalities: {Na+: 9.4, Cl-: 9.4, H+: 1.05e-04, OH-: 1.0e-04}}
- {T: 330, P: 10 atm, molalities: {Na+: 5.0, Cl-: 4.8, H+: 1.0e-07, OH-: 0.2}}
6 changes: 6 additions & 0 deletions test/thermo/consistency.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -668,4 +668,10 @@ INSTANTIATE_TEST_SUITE_P(IonsFromNeutralMolecule, TestConsistency,
testing::ValuesIn(getStates("ions-from-neutral-molecule")))
);

INSTANTIATE_TEST_SUITE_P(HMWSoln, TestConsistency,
testing::Combine(
testing::Values(getSetup("HMW-electrolyte")),
testing::ValuesIn(getStates("HMW-electrolyte")))
);

}

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