Add consistency tests for DebyeHuckel

Cantera · Jun 10, 2022 · 97e078c · 97e078c
1 parent b48bfd3
commit 97e078c
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diff --git a/test/data/consistency-cases.yaml b/test/data/consistency-cases.yaml
@@ -137,3 +137,54 @@ plasma:
   - {T: 300, P: 1 atm, X: {O2: 1.0, O2-: 1e-5, E: 1e-5}}
   - {T: 300, P: 1 atm, X: {E: 1.0}}
   - {T: 3500, P: 10 atm, X: {O2: 1.0, O2-: 2e-5, E: 2e-5}}
+
+debye-huckel-dilute:
+  setup:
+    file: debye-huckel-all.yaml
+    phase: debye-huckel-dilute
+    known-failures: &debye-huckel-failures
+      cv_eq_.+: cv not implemented
+      u_eq_sum_uk_Xk: partialMolarIntEnergies not implemented
+      hk_eq_uk_plus_P_times_vk: partialMolarIntEnergies not implemented
+  states: &debye-huckel-states
+  - {T: 300, P: 1 atm,
+     molalities: {Na+: 9.3549, Cl-: 9.3549, H+: 1.05e-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}}
+  - {T: 300, P: 1 atm,
+     molalities: {Na+: 4.1, Cl-: 4.1, H+: 1.05e-07, OH-: 1.3765e-05,
+                  NaCl(aq): 2.2, NaOH(aq): 3.8836e-03}}
+  - {T: 320, P: 1 atm,
+     molalities: {Na+: 9.3549, Cl-: 9.3549, H+: 1.05e-06, OH-: 2.0e-05,
+                  NaCl(aq): 0.98492, NaOH(aq): 3.8836e-06}}
+  - {T: 320, P: 20 atm,
+     molalities: {Na+: 9.3549, Cl-: 9.3549, H+: 1.05e-08, OH-: 1.3765e-06,
+                  NaCl(aq): 0.98492, NaOH(aq): 3.8836e-06}}
+
+debye-huckel-B-dot-ak:
+  setup:
+    file: debye-huckel-all.yaml
+    phase: debye-huckel-B-dot-ak
+    known-failures: *debye-huckel-failures
+  states: *debye-huckel-states
+
+debye-huckel-B-dot-a:
+  setup:
+    file: debye-huckel-all.yaml
+    phase: debye-huckel-B-dot-a
+    known-failures: *debye-huckel-failures
+  states: *debye-huckel-states
+
+debye-huckel-pitzer-beta_ij:
+  setup:
+    file: debye-huckel-all.yaml
+    phase: debye-huckel-pitzer-beta_ij
+    known-failures: *debye-huckel-failures
+  states: *debye-huckel-states
+
+debye-huckel-beta_ij:
+  setup:
+    file: debye-huckel-all.yaml
+    phase: debye-huckel-beta_ij
+    known-failures: *debye-huckel-failures
+  states: *debye-huckel-states
diff --git a/test/thermo/consistency.cpp b/test/thermo/consistency.cpp
@@ -280,4 +280,34 @@ INSTANTIATE_TEST_SUITE_P(PlasmaPhase, TestConsistency,
         testing::ValuesIn(getStates("plasma")))
 );
 
+INSTANTIATE_TEST_SUITE_P(DebyeHuckelDilute, TestConsistency,
+    testing::Combine(
+        testing::Values(getSetup("debye-huckel-dilute")),
+        testing::ValuesIn(getStates("debye-huckel-dilute")))
+);
+
+INSTANTIATE_TEST_SUITE_P(DebyeHuckel_b_dot_ak, TestConsistency,
+    testing::Combine(
+        testing::Values(getSetup("debye-huckel-B-dot-ak")),
+        testing::ValuesIn(getStates("debye-huckel-B-dot-ak")))
+);
+
+INSTANTIATE_TEST_SUITE_P(DebyeHuckel_b_dot_a, TestConsistency,
+    testing::Combine(
+        testing::Values(getSetup("debye-huckel-B-dot-a")),
+        testing::ValuesIn(getStates("debye-huckel-B-dot-a")))
+);
+
+INSTANTIATE_TEST_SUITE_P(DebyeHuckel_pitzer_beta_ij, TestConsistency,
+    testing::Combine(
+        testing::Values(getSetup("debye-huckel-pitzer-beta_ij")),
+        testing::ValuesIn(getStates("debye-huckel-pitzer-beta_ij")))
+);
+
+INSTANTIATE_TEST_SUITE_P(DebyeHuckel_beta_ij, TestConsistency,
+    testing::Combine(
+        testing::Values(getSetup("debye-huckel-beta_ij")),
+        testing::ValuesIn(getStates("debye-huckel-beta_ij")))
+);
+
 }