[Test] Add Debye-Huckel test using IAPWS water equation

Failing test cases documented in Cantera#1500
speth · Jun 12, 2023 · 477f245 · 477f245
1 parent 21b0b06
commit 477f245
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diff --git 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
@@ -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
@@ -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")),