Edited high_rate, low_rate in set_cantera_kinetics() for Lindemann re…

…actions. Can now extract the high & low rate from the Cantera Lindemann object, which is necessary for reactionTest.py to pass successfully.
ReactionMechanismGenerator · Jul 19, 2022 · f00c6e1 · f00c6e1
1 parent 7f91a01
commit f00c6e1
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/rmgpy/kinetics/falloff.pyx b/rmgpy/kinetics/falloff.pyx
@@ -233,8 +233,8 @@ cdef class Lindemann(PDepKineticsModel):
         ct_reaction.high_rate = self.arrheniusHigh.to_cantera_kinetics()
         ct_reaction.low_rate = self.arrheniusLow.to_cantera_kinetics()
 
-        high_rate = self.arrheniusHigh.to_cantera_kinetics()
-        low_rate = self.arrheniusLow.to_cantera_kinetics()
+        high_rate = ct.Arrhenius(self.arrheniusHigh._A.value, self.arrheniusHigh._n.value, self.arrheniusHigh._Ea.value)
+        low_rate = ct.Arrhenius(self.arrheniusLow._A.value, self.arrheniusHigh._n.value, self.arrheniusHigh._Ea.value)
         falloff = []
         ct_reaction.rate = self.to_cantera_kinetics(low_rate,high_rate,falloff)