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Added range based reactors example
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mjohnson541 committed Apr 29, 2018
1 parent 97798b3 commit d31fb55
Showing 1 changed file with 11 additions and 3 deletions.
14 changes: 11 additions & 3 deletions examples/rmg/SR_test/input.py
Original file line number Diff line number Diff line change
Expand Up @@ -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(
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