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 · Mar 2, 2023 · 50f2e72 · 50f2e72
1 parent a2afc6e
commit 50f2e72
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)