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s-amouyal12 / cantera

Automatically exported from code.google.com/p/cantera
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Errors in mechanism not detected by ck2cti #221

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
I converted a Chemkin-format mechanism with the reactions
H+O2(+M) = HO2(+M) 1.475E+12 0.60  0.000E+00
and
H+O2(+N2)<=>HO2(+N2)    4.520E+13   0.0000  0.0
to .cti format using ck2cti, with no errors.

However, when using it in Cantera, I received a runtime error:
RuntimeError:
***********************************************************************
CanteraError thrown by installReaction:
Undeclared duplicate reactions detected:
Reaction 12: H + O2 (+ M) <=> HO2 (+ M)
Reaction 9024: H + O2 (+ N2) <=> HO2 (+ N2)
***********************************************************************

In addition, after correcting the above issues with "DUP" keywords, I got 
another runtime error that was not detected during the conversion:
***********************************************************************
CanteraError thrown by getEfficiencies:
Encountered third-body efficiency for undefined species "HE"
while adding reaction 9151.
***********************************************************************

HE was not declared as an element or species in the original mechanism.

Original issue reported on code.google.com by kyle.nie...@gmail.com on 2 Jun 2014 at 2:25

GoogleCodeExporter commented 9 years ago 
This should be effectively fixed by r2990.

Original comment by yarmond on 6 Jun 2014 at 2:10