From 3a459cb0e22ddd9450a75ab5daf546752d8552c6 Mon Sep 17 00:00:00 2001
From: Ingmar Schoegl <ischoegl@lsu.edu>
Date: Fri, 16 Apr 2021 15:51:44 -0500
Subject: [PATCH] [Kinetics] Catch undetected third bodies in
 calculateRateCoeffUnits

---
 src/kinetics/Reaction.cpp | 13 +++++++++++--
 1 file changed, 11 insertions(+), 2 deletions(-)

diff --git a/src/kinetics/Reaction.cpp b/src/kinetics/Reaction.cpp
index c95c4a1d20..5eccf66e6a 100644
--- a/src/kinetics/Reaction.cpp
+++ b/src/kinetics/Reaction.cpp
@@ -296,8 +296,17 @@ std::string ThreeBodyReaction::productString() const {
 void ThreeBodyReaction::calculateRateCoeffUnits(const Kinetics& kin)
 {
     ElementaryReaction::calculateRateCoeffUnits(kin);
-    const ThermoPhase& rxn_phase = kin.thermo(kin.reactionPhaseIndex());
-    rate_units *= rxn_phase.standardConcentrationUnits().pow(-1);
+    bool specified = false;
+    for (const auto& reac : reactants) {
+        if (reac.first != "M" && products.count(reac.first)) {
+            // detected specified third-body collision partner
+            specified = true;
+        }
+    }
+    if (!specified) {
+        const ThermoPhase& rxn_phase = kin.thermo(kin.reactionPhaseIndex());
+        rate_units *= rxn_phase.standardConcentrationUnits().pow(-1);
+    }
 }
 
 void ThreeBodyReaction::getParameters(AnyMap& reactionNode) const