Switched the sample problem over to the vcs_equilibrate solver.
This solver works on all of the temperatures, while the old solver failed after the 10th temperature or so.
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1 changed files with 4 additions and 3 deletions
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@ -26,14 +26,15 @@ f = open('equil_koh.csv','w')
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writeCSV(f,['T']+mix.speciesNames())
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# loop over temperature
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for n in range(500):
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t = 350.0 + 10.0*n
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for n in range(100):
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t = 350.0 + 50.0*n
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print 'T = ',t
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mix.set(T= t, P = OneAtm, Moles="K:1.03, H2:2.12, O2:0.9")
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# set the mixture to a state of chemical equilibrium holding
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# temperature and pressure fixed
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mix.equilibrate("TP",maxsteps=10000,loglevel=1)
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# mix.equilibrate("TP",maxsteps=10000,loglevel=1)
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mix.vcs_equilibrate("TP",printLvl=1,maxsteps=10000,loglevel=1)
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# write out the moles of each species
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writeCSV(f,[t]+ list(mix.speciesMoles()))
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