diff --git a/examples/rmg/SR_test/input.py b/examples/rmg/SR_test/input.py index 692c239e50f..d94eafa6257 100644 --- a/examples/rmg/SR_test/input.py +++ b/examples/rmg/SR_test/input.py @@ -21,19 +21,27 @@ structure=SMILES('[O][O]') ) +species( + label='N2', + reactive=False, + structure=SMILES('N#N'), +) + # Reaction systems simpleReactor( temperature=[(1000,'K'),(1500,'K')], pressure=[(1.0,'bar'),(10.0,'bar')], - nSimsTerm=12, #24 is probably a better number for 2-D input conditions like these + nSimsTerm=12, initialMoleFractions={ - "ethane": 0.1, - "O2": 0.9 + "ethane": [0.05,0.15], + "O2": 0.1, + "N2": 0.9, }, terminationConversion={ 'ethane': 0.1, }, terminationTime=(1e1,'s'), + balanceSpecies = "N2", ) simulator(