2528df0f75
These changes make it unnecessary to copy header files around during the build process, which tends to confuse IDEs and debuggers. The headers which comprise Cantera's external C++ interface are now in the 'include' directory. All of the samples and demos are now in the 'samples' subdirectory.
45 lines
1.5 KiB
Python
45 lines
1.5 KiB
Python
# An equilibrium example with charged species in the gas phase
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# and multiple condensed phases.
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# Note: This example runs fine on Mac and linux platforms, but
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# encounters some convergence difficulties under Windows. The reasons
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# for this are not currently known.
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from Cantera import *
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# create objects representing the gas phase and the condensed
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# phases. The gas is a mixture of multiple species, and the condensed
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# phases are all modeled as incompressible stoichiometric
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# substances. See file KOH.cti for more information.
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phases = importPhases('KOH.cti',
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['K_solid',
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'K_liquid', 'KOH_a', 'KOH_b',
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'KOH_liquid', 'K2O2_solid',
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'K2O_solid', 'KO2_solid',
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'ice', 'liquid_water','KOH_plasma'])
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# create the Mixture object from the list of phases
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mix = Mixture(phases)
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# open the output file and write the column headings
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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(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.vcs_equilibrate("TP",printLvl=0,maxsteps=10000,loglevel=0)
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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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# close the output file
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f.close()
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