01a9bdcf58
For reactions with unity reactant stoichiometric coefficients, explicit values for the forward reaction order were being ignored while setting up the StoichManager. Added a few tests that confirm that these rates are being calculated correctly.
40 lines
1.5 KiB
Python
40 lines
1.5 KiB
Python
import utilities
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import Cantera as ct
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class ExplicitForwardOrderTest(utilities.CanteraTest):
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def setUp(self):
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self.gas = ct.IdealGasMix('../data/explicit-forward-order.xml')
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self.gas.set(T=800, P=101325, X=[0.01, 0.90, 0.02, 0.03, 0.04])
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def test_irreversibility(self):
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# Reactions are irreversible
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Rr = self.gas.revRateConstants()
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self.assertEqual(Rr[0], 0.0)
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self.assertEqual(Rr[1], 0.0)
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def test_rateConstants(self):
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# species order: [H, AR, R1A, R1B, P1]
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C = self.gas.moleFractions() * self.gas.molarDensity()
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Rf = self.gas.fwdRatesOfProgress()
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kf = self.gas.fwdRateConstants()
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self.assertNear(Rf[0], kf[0] * C[2]**1.5 * C[3]**0.5)
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self.assertNear(Rf[1], kf[1] * C[0]**1.0 * C[4]**0.2)
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def test_ratio1(self):
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rop1 = self.gas.fwdRatesOfProgress()
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# Double concentration of H and R1A
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self.gas.set(T=800, P=101325, X=[0.02, 0.87, 0.04, 0.03, 0.04])
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rop2 = self.gas.fwdRatesOfProgress()
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ratio = rop2/rop1
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self.assertNear(ratio[0], 2**1.5) # order of R1A is 1.5
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self.assertNear(ratio[1], 2**1.0) # order of H is 1.0
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def test_ratio2(self):
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rop1 = self.gas.fwdRatesOfProgress()
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# Double concentration of P1 and R1B
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self.gas.set(T=800, P=101325, X=[0.01, 0.83, 0.02, 0.06, 0.08])
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rop2 = self.gas.fwdRatesOfProgress()
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ratio = rop2/rop1
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self.assertNear(ratio[0], 2**0.5) # order of R1B is 0.5
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self.assertNear(ratio[1], 2**0.2) # order of P1 is 1.0
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