diff --git a/test/data/consistency-cases.yaml b/test/data/consistency-cases.yaml index ff50a0a9b3b..7a47a311343 100644 --- a/test/data/consistency-cases.yaml +++ b/test/data/consistency-cases.yaml @@ -187,6 +187,16 @@ debye-huckel-B-dot-ak: known-failures: *debye-huckel-failures states: *debye-huckel-states +debye-huckel-B-dot-ak-IAPWS: + setup: + file: debye-huckel-all.yaml + phase: debye-huckel-B-dot-ak-IAPWS + known-failures: + cv_eq_.+: cv not implemented + activity_coeffs: "Activity coeffs are incorrect. See GitHub Issue #1311" + cp_eq_.+: "cp with variable A_debye is incorrect. See GitHub Issue #1500" + states: *debye-huckel-states + debye-huckel-B-dot-a: setup: file: debye-huckel-all.yaml diff --git a/test/data/debye-huckel-all.yaml b/test/data/debye-huckel-all.yaml index 0e46c051d87..fa97aa842c8 100644 --- a/test/data/debye-huckel-all.yaml +++ b/test/data/debye-huckel-all.yaml @@ -36,6 +36,23 @@ phases: state: {T: 300.0 K, P: 1.01325e+05 Pa, molalities: {Na+: 9.3549, Cl-: 9.3549, H+: 1.0499e-08, OH-: 1.3765e-06, NaCl(aq): 0.98492, NaOH(aq): 3.8836e-06, NaH3SiO4(aq): 6.8798e-05, SiO2(aq): 3.0179e-05, H3SiO4-: 1.0231e-06}} +- name: debye-huckel-B-dot-ak-IAPWS + elements: [O, H, C, E, Fe, Si, N, Na, Cl] + species: + - water_IAPWS: [H2O(L)] + - species_waterSolution: [Na+, Cl-, H+, OH-, NaCl(aq), NaOH(aq), SiO2(aq), + NaH3SiO4(aq), H3SiO4-] + thermo: Debye-Huckel + activity-data: + model: B-dot-with-variable-a + A_Debye: variable + B_Debye: 3.28640E9 kg^0.5/gmol^0.5/m + max-ionic-strength: 50.0 + B-dot: 0.041 + default-ionic-radius: 4.0 angstrom + state: {T: 300.0 K, P: 1.01325e+05 Pa, molalities: {Na+: 9.3549, Cl-: 9.3549, H+: 1.0499e-08, + OH-: 1.3765e-06, NaCl(aq): 0.98492, NaOH(aq): 3.8836e-06, NaH3SiO4(aq): 6.8798e-05, + SiO2(aq): 3.0179e-05, H3SiO4-: 1.0231e-06}} - name: debye-huckel-B-dot-a elements: [O, H, C, E, Fe, Si, N, Na, Cl] species: @@ -266,3 +283,9 @@ species_waterSolution: Debye-Huckel: electrolyte-species-type: charged-species weak-acid-charge: -1.0 + +water_IAPWS: +- name: H2O(L) + composition: {H: 2, O: 1} + equation-of-state: + model: liquid-water-IAPWS95 diff --git a/test/thermo_consistency/consistency.cpp b/test/thermo_consistency/consistency.cpp index 9cd4ebb607a..03848767122 100644 --- a/test/thermo_consistency/consistency.cpp +++ b/test/thermo_consistency/consistency.cpp @@ -743,6 +743,12 @@ INSTANTIATE_TEST_SUITE_P(DebyeHuckel_b_dot_ak, TestConsistency, testing::ValuesIn(getStates("debye-huckel-B-dot-ak"))) ); +INSTANTIATE_TEST_SUITE_P(DebyeHuckel_b_dot_ak_IAPWS, TestConsistency, + testing::Combine( + testing::Values(getSetup("debye-huckel-B-dot-ak-IAPWS")), + testing::ValuesIn(getStates("debye-huckel-B-dot-ak-IAPWS"))) +); + INSTANTIATE_TEST_SUITE_P(DebyeHuckel_b_dot_a, TestConsistency, testing::Combine( testing::Values(getSetup("debye-huckel-B-dot-a")),