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slepicka-craig / cantera

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Silent failure in MultiPhaseEquil ("gibbs" solver) #245

Open GoogleCodeExporter opened 9 years ago

GoogleCodeExporter commented 9 years ago 
In the following example, the state of the mixture is not modified, and no 
exception is generated. (Python interface, r3293)

import cantera as ct
data = """ideal_gas(name="gas", elements="C H",
                    species="nasa_gas: C2H5 C4H10,isobutane")"""
gas = ct.Solution(source=data)
gas.TPX = 300, 101325, [0.5, 0.5]
gas.equilibrate('TP','gibbs')
print gas.X # gives [0.5, 0.5], but should give approximately [0.0, 1.0]

For this initial condition, the element_potential solver fails by throwing an 
exception, and the VCS successfully finds the equilibrium composition.

Original issue reported on code.google.com by yarmond on 8 Nov 2014 at 12:58