Protect against inf in SurfPhase::getChemPotentials

Fixes #1314
Cantera · Mar 4, 2023 · 03b7e6b · 03b7e6b
1 parent c3eb05c
commit 03b7e6b
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Showing 2 changed files with 1 addition and 3 deletions.
diff --git a/src/thermo/SurfPhase.cpp b/src/thermo/SurfPhase.cpp
@@ -108,7 +108,7 @@ void SurfPhase::getChemPotentials(doublereal* mu) const
     copy(m_mu0.begin(), m_mu0.end(), mu);
     getActivityConcentrations(m_work.data());
     for (size_t k = 0; k < m_kk; k++) {
-        mu[k] += RT() * (log(m_work[k]) - logStandardConc(k));
+        mu[k] += RT() * (log(std::max(m_work[k], SmallNumber)) - logStandardConc(k));
     }
 }
 

diff --git a/test/data/consistency-cases.yaml b/test/data/consistency-cases.yaml
@@ -267,8 +267,6 @@ ideal-surface:
         "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"
-      g_eq_sum_gk_Xk:
-        "chemPotentials does not protect against inf. See GitHub Issue #1314"
   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}}