From 5064ae39445e5fe7a00ac3736c78ecbde429ebeb Mon Sep 17 00:00:00 2001 From: Matt Johnson Date: Fri, 27 Apr 2018 17:19:24 -0400 Subject: [PATCH] Added range based reactors example --- examples/rmg/SR_test/input.py | 14 +++++++++++--- 1 file changed, 11 insertions(+), 3 deletions(-) diff --git a/examples/rmg/SR_test/input.py b/examples/rmg/SR_test/input.py index 692c239e50..d94eafa625 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(