Fix implementation of SurfPhase.partialMolarEntropies

Fixes #1313
Cantera · Mar 4, 2023 · 537b484 · 537b484
1 parent 03b7e6b
commit 537b484
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Showing 2 changed files with 2 additions and 5 deletions.
diff --git a/src/thermo/SurfPhase.cpp b/src/thermo/SurfPhase.cpp
@@ -76,7 +76,9 @@ void SurfPhase::getPartialMolarEnthalpies(doublereal* hbar) const
 void SurfPhase::getPartialMolarEntropies(doublereal* sbar) const
 {
     getEntropy_R(sbar);
+    getActivityConcentrations(m_work.data());
     for (size_t k = 0; k < m_kk; k++) {
+        sbar[k] -= log(std::max(m_work[k], SmallNumber)) - logStandardConc(k);
         sbar[k] *= GasConstant;
     }
 }

diff --git a/test/data/consistency-cases.yaml b/test/data/consistency-cases.yaml
@@ -262,11 +262,6 @@ ideal-surface:
     file: surface-phases.yaml
     phase: Pt-surf
     atol_v: 1e-7
-    known-failures:
-      gk_eq_hk_minus_T_sk:
-        "Implementation of s_k is incorrect. See GitHub Issue #1313"
-      s_eq_sum_sk_Xk:
-        "Implementation of s_k is incorrect. See GitHub Issue #1313"
   states:
   - {T: 800, P: 1 atm, coverages: {Pt(s): 0.5, H(s): 0.4, O(s): 0.1}}
   - {T: 800, P: 5 atm, coverages: {H(s): 1.0}}