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5f91bf7293
The number of points changed from 104 to 105 points. However, the solution stayed just about the same.
75 lines
2.3 KiB
Python
75 lines
2.3 KiB
Python
# This script is used to test handling of non-integral product
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# stoichiometric coefficients. See file frac.cti for more information.
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print 'testing handling of non-integral stoichiometric coefficients...'
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from Cantera import *
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gas = importPhase('frac.cti')
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gas.set(T = 2000, P = OneAtm, X = 'H2O:1.0, OH:0.1, H:0.2, O2:0.3, H2:0.4')
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ih2, ih, io, io2, ioh, ih2o = gas.speciesIndex(['H2','H','O','O2','OH','H2O'])
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# forward rates of progress
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fwd_rop = gas.fwdRatesOfProgress()
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# species creation and destruction rates
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cdot = gas.creationRates()
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ddot = gas.destructionRates()
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nsp = gas.nSpecies()
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nr = gas.nReactions()
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# print the reaction equations
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print 'Reaction Equations:'
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for i in range(nr):
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print gas.reactionEqn(i)
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print
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# print the creation rates, and check that the creation rates have the
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# correct relationship to the reaction rates of progress
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print 'Creation Rates: '
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for k in range(nsp-1):
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print '%12s %10.4e %10.4e ' % (gas.speciesName(k),
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cdot[k], cdot[k]/fwd_rop[0])
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print '%12s %10.4e %10.4e ' % (gas.speciesName(ih2o),
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cdot[ih2o], cdot[ih2o]/fwd_rop[1])
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# print the destruction rates, and check that the destruction rates have the
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# correct relationship to the reaction rates of progress
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print '\nDestruction Rates:'
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for k in range(nsp-1):
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print '%12s %10.4e %10.4e ' % (gas.speciesName(k),
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ddot[k], ddot[k]/fwd_rop[1])
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print '%12s %10.4e %10.4e ' % (gas.speciesName(ih2o),
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ddot[ih2o], ddot[ih2o]/fwd_rop[0])
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print
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# print the arrays of reactant and product stoichiometric coefficients
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x = gas.moleFractions()
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c = gas.molarDensity() * x
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# rxn 2 orders from frac.cti
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order_H2 = 0.8
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order_OH = 2.0
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order_O2 = 1.0
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kf = gas.fwdRateConstants()
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print '\nForward rate constants:'
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print kf
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cproduct = pow(c[ih2],order_H2) * pow(c[ioh], order_OH) * pow(c[io2], order_O2)
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print '\nFwd rate of progress, kf*concentration product, difference:'
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r1 = fwd_rop[1]
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r2 = cproduct*kf[1]
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diff12 = (r1 - r2)/(r1 + r2)
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if (abs(diff12) < 1.0E-10) :
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diff12 = 0.0
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print r1, r2, diff12
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print
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print 'Reactant stoichiometric coefficients:'
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print gas.reactantStoichCoeffs()
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print 'Product stoichiometric coefficients:'
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print gas.productStoichCoeffs()
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