from Cantera import * # import the bulk phases g, dbulk = importPhases('diamond.cti', ['gas','diamond']) # import the interface d = importInterface('diamond.cti', 'diamond_100', phases = [g, dbulk]) mw = dbulk.molarMasses()[0] #mol. wt. of carbin t = g.temperature() p = g.pressure() x = g.moleFractions() ih = g.speciesIndex('H') f = open('d.csv', 'w') for n in range (20): x[ih] /= 1.4 g.setState_TPX(t, p, x) # integrate the coverage equations to steady state d.advanceCoverages(100.0) cdot = d.netProductionRates(phase = dbulk) [0] #net rate of C(d production /m^2 mdot = mw * cdot linear_rate = mdot/dbulk.density() writeCSV(f, [x[ih], rate]+list(d.coverages())) f.close()