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Add consistency tests for Redlich-Kister phase
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speth authored and ischoegl committed Jun 10, 2022
1 parent 5aaa58f commit 88669ca
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12 changes: 12 additions & 0 deletions test/data/consistency-cases.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -314,3 +314,15 @@ ideal-solution-VPSS-HKFT:
- {T: 360, P: 5 atm, X: {H2O(L): 0.6, Na+: 0.2, Cl-: 0.2}}
- {T: 330, P: 10 atm, X: {H2O(L): 0.9, Na+: 0.05, Cl-: 0.05, H+: 1e-7, OH-: 1e-7}}
- {T: 320, P: 1 atm, X: {H2O(L): 1.0, Na+: 0.01, Cl-: 0.05, H+: 0.04}}

Redlich-Kister:
setup:
file: thermo-models.yaml
phase: Redlich-Kister-LiC6
known-failures:
c[vp]_eq_.+: "Implementation of cv is incorrect. See GitHub Issue #1320"
states:
- {T: 300, P: 1 atm, X: {Li(C6): 0.85, V(C6): 0.15}}
- {T: 440, P: 1 atm, X: {Li(C6): 0.75, V(C6): 0.25}}
- {T: 350, P: 10 atm, X: {Li(C6): 1.0, V(C6): 0.0}}
- {T: 350, P: 10 atm, X: {Li(C6): 0.0, V(C6): 1.0}}
6 changes: 6 additions & 0 deletions test/thermo/consistency.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -630,4 +630,10 @@ INSTANTIATE_TEST_SUITE_P(IdealSolnVPSS_HKFT, TestConsistency,
testing::ValuesIn(getStates("ideal-solution-VPSS-HKFT")))
);

INSTANTIATE_TEST_SUITE_P(RedlichKister, TestConsistency,
testing::Combine(
testing::Values(getSetup("Redlich-Kister")),
testing::ValuesIn(getStates("Redlich-Kister")))
);

}

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