import utilities import Cantera as ct class ExplicitForwardOrderTest(utilities.CanteraTest): def setUp(self): self.gas = ct.IdealGasMix('../data/explicit-forward-order.xml') self.gas.set(T=800, P=101325, X=[0.01, 0.90, 0.02, 0.03, 0.04]) def test_irreversibility(self): # Reactions are irreversible Rr = self.gas.revRateConstants() self.assertEqual(Rr[0], 0.0) self.assertEqual(Rr[1], 0.0) def test_rateConstants(self): # species order: [H, AR, R1A, R1B, P1] C = self.gas.moleFractions() * self.gas.molarDensity() Rf = self.gas.fwdRatesOfProgress() kf = self.gas.fwdRateConstants() self.assertNear(Rf[0], kf[0] * C[2]**1.5 * C[3]**0.5) self.assertNear(Rf[1], kf[1] * C[0]**1.0 * C[4]**0.2) def test_ratio1(self): rop1 = self.gas.fwdRatesOfProgress() # Double concentration of H and R1A self.gas.set(T=800, P=101325, X=[0.02, 0.87, 0.04, 0.03, 0.04]) rop2 = self.gas.fwdRatesOfProgress() ratio = rop2/rop1 self.assertNear(ratio[0], 2**1.5) # order of R1A is 1.5 self.assertNear(ratio[1], 2**1.0) # order of H is 1.0 def test_ratio2(self): rop1 = self.gas.fwdRatesOfProgress() # Double concentration of P1 and R1B self.gas.set(T=800, P=101325, X=[0.01, 0.83, 0.02, 0.06, 0.08]) rop2 = self.gas.fwdRatesOfProgress() ratio = rop2/rop1 self.assertNear(ratio[0], 2**0.5) # order of R1B is 0.5 self.assertNear(ratio[1], 2**0.2) # order of P1 is 1.0