from Cantera import * import math g, dbulk = importPhases('diamond.cti',['gas','diamond']) d = importInterface('diamond.cti','diamond_100',phases = [g, dbulk]) ns = d.nSpecies() mw = dbulk.molarMasses()[0] t = 1200.0 x = g.moleFractions() p = 20.0*OneAtm/760.0 g.setState_TPX(t, p, x) ih = g.speciesIndex('H') xh0 = x[ih] f = open('d.csv','w') #writeCSV(f, ['H mole Fraction', 'Rate']+d.speciesNames()) for n in range(20): x[ih] /= 1.4 g.setState_TPX(t, p, x) d.advanceCoverages(10.0) cdot = d.netProductionRates(phase = dbulk)[0] mdot = mw*cdot rate = mdot/dbulk.density() print x[ih], rate*1.0e6*3600.0 writeCSV(f,[x[ih],rate]+list(d.coverages())) f.close()