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Added a reaction to the mechanism to promote numerical stability.

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Added a unimolecular dissociation rxn to avoid singular jacobians.
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Harry Moffat 2009-12-29 00:00:37 +00:00
parent 5b725eec64
commit dfd9bc2c94
1 changed files with 8 additions and 0 deletions
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data/inputs/ptcombust.cti
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@ -290,3 +290,11 @@ surface_reaction( "C(S) + O(S) => CO(S) + PT(S)", [3.70000E+21, 0, 62800])
# Reaction 24
surface_reaction( "CO(S) + PT(S) => C(S) + O(S)", [1.00000E+18, 0, 184000])
# Reaction 25 (12/28/2009 HKM added: This is a fictious rxn that is added for numerical stability.
# The issue is that if multiple surface species have a negative concentration, the
# Jacobian for the surface problem will go singular due to the way negative concentrations
# are truncated within Cantera. Adding in unimolecular desorption rxns with neglibigle real
# effects alleviates the problem.)
surface_reaction( "C(S) => C + PT(S)", [3.7E7, 0, 62800])