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Remove unnecessary reaction from ptcombust.cti

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The current methods for handling negative species do not have the problem
described.
This commit is contained in:
Ray Speth
2016-07-28 21:51:34 -04:00
parent fd9d60f1ec
commit e90dbcb27e
3 changed files with 1 additions and 17 deletions
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8
data/inputs/ptcombust.cti
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@@ -290,11 +290,3 @@ 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])

8
test/data/ptcombust-motzwise.cti
View File

@@ -109,11 +109,3 @@ 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])

2
test/kinetics/rates.cpp
View File

@@ -200,7 +200,7 @@ TEST(InterfaceReaction, CoverageDependency) {
SurfPhase surf("ptcombust.cti", "Pt_surf");
std::vector<ThermoPhase*> phases { &gas, &surf };
shared_ptr<Kinetics> kin(newKineticsMgr(surf.xml(), phases));
ASSERT_EQ(kin->nReactions(), (size_t) 25);
ASSERT_EQ(kin->nReactions(), (size_t) 24);
double T = 500;
surf.setState_TP(T, 101325);