jcaiuwyo / cantera

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equilibrate('UV') fails with "unsupported option" for stoichiometric mixtures... #41

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago
What steps will reproduce the problem?
1. In pyton 2.7 with Cantera 1.8-beta (CentOS 5.4) do:

from Cantera import *
P1 = 100000
T1 = 300
qfail = 'CH4:0.105 O2:0.21 N2:0.79'
qwork = 'CH4:1.0485   O2:2.095  N2:7.905'
mech = 'gri30.cti'
gas=IdealGasMix(mech)
gas.set(X=qwork,T=T1,P=P1)
gas.equilibrate('UV')
print gas

This works fine. However, replacing qwork with qfail will give the error:

Procedure: equilibrate
Error:   unsupported option

What version of the product are you using? On what operating system?
Cantera 1.8.0-beta, Python 2.7.1, CentOS 5.4

The error seems to come when there is exactly double amount O2 moles as CH4 
moles, i.e. the reaction is stoichiometric.

Attched my python script...

Original issue reported on code.google.com by nogen...@gmail.com on 7 Apr 2011 at 9:53

Attachments:

GoogleCodeExporter commented 9 years ago

Original comment by yarmond on 27 May 2011 at 9:20

GoogleCodeExporter commented 9 years ago
I was able to confirm this bug in the 1.8 trunk. I can no longer duplicate it 
in 2.0. I'm not sure what set of changes fixed this problem.

Original comment by yarmond on 12 Apr 2012 at 3:52