[Cython] Added tests for the 1D simulation interface
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Ray Speth
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1 changed files with 177 additions and 0 deletions
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@ -1,5 +1,7 @@
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import cantera as ct
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from . import utilities
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import os
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class TestOnedim(utilities.CanteraTest):
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def test_instantiate(self):
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@ -20,3 +22,178 @@ class TestOnedim(utilities.CanteraTest):
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surface = ct.ReactingSurface1D()
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surface.setKinetics(interface)
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class TestFreeFlame(utilities.CanteraTest):
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def create_sim(self, p, Tin, reactants):
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initial_grid = [0.0, 0.001, 0.01, 0.02, 0.029, 0.03] # m
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tol_ss = [1.0e-5, 1.0e-13] # [rtol atol] for steady-state problem
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tol_ts = [1.0e-4, 1.0e-10] # [rtol atol] for time stepping
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# IdealGasMix object used to compute mixture properties
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self.gas = ct.Solution('h2o2.xml')
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self.gas.TPX = Tin, p, reactants
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# Flame object
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self.sim = ct.FreeFlame(self.gas, initial_grid)
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self.sim.flame.setSteadyTolerances(default=tol_ss)
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self.sim.flame.setTransientTolerances(default=tol_ts)
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# Set properties of the upstream fuel-air mixture
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self.sim.inlet.T = Tin
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self.sim.inlet.X = reactants
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def solve_fixed_T(self):
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# Solve with the energy equation disabled
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self.sim.energyEnabled = False
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self.sim.setMaxJacAge(50, 50)
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self.sim.setTimeStep(1e-5, [2, 5, 10, 20])
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self.sim.solve(loglevel=0, refine_grid=False)
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self.assertFalse(self.sim.energyEnabled)
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def solve_mix(self, ratio=3.0, slope=0.2, curve=0.1, prune=0.0):
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# Solve with the energy equation enabled
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self.sim.setRefineCriteria(ratio=ratio, slope=slope, curve=curve, prune=prune)
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self.sim.energyEnabled = True
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self.sim.solve(loglevel=0, refine_grid=True)
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self.assertTrue(self.sim.energyEnabled)
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self.assertEqual(self.sim.transportModel, 'Mix')
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def solve_multi(self):
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self.sim.transportModel = 'Multi'
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self.sim.solve(loglevel=0, refine_grid=True)
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self.assertEqual(self.sim.transportModel, 'Multi')
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def test_converge_adiabatic(self):
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# Test that the adiabatic flame temperature and species profiles
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# converge to the correct equilibrium values as the grid is refined
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reactants= 'H2:1.1, O2:1, AR:5'
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p = ct.OneAtm
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Tin = 300
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self.create_sim(p, Tin, reactants)
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self.solve_fixed_T()
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self.gas.TPX = Tin, p, reactants
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self.gas.equilibrate('HP')
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Tad = self.gas.T
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Xad = self.gas.X
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self.solve_mix(slope=0.2, curve=0.1)
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T1 = self.sim.T[-1]
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X1 = self.sim.X[:,-1]
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self.solve_mix(slope=0.1, curve=0.05)
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T2 = self.sim.T[-1]
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X2 = self.sim.X[:,-1]
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self.solve_mix(slope=0.05, curve=0.025)
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T3 = self.sim.T[-1]
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X3 = self.sim.X[:,-1]
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self.assertLess(abs(T2-Tad), abs(T1-Tad))
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self.assertLess(abs(T3-Tad), abs(T2-Tad))
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for k in range(self.gas.nSpecies):
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self.assertLess(abs(X2[k]-Xad[k]), abs(X1[k]-Xad[k]))
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self.assertLess(abs(X3[k]-Xad[k]), abs(X2[k]-Xad[k]))
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def test_mixture_averaged(self):
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reactants= 'H2:1.1, O2:1, AR:5'
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p = ct.OneAtm
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Tin = 300
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self.create_sim(p, Tin, reactants)
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self.solve_fixed_T()
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self.solve_mix()
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self.gas.TPX = Tin, p, reactants
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self.gas.equilibrate('HP')
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self.sim.setGasState(0)
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rhou = self.gas.density * self.sim.u[0]
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for j in range(self.sim.flame.nPoints):
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self.sim.setGasState(j)
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# Check continuity
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self.assertNear(self.gas.density * self.sim.u[j], rhou, 1e-4)
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def test_multicomponent(self):
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reactants= 'H2:1.1, O2:1, AR:5.5'
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p = ct.OneAtm
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Tin = 300
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self.create_sim(p, Tin, reactants)
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self.solve_fixed_T()
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self.solve_mix(ratio=4, slope=0.4, curve=0.2)
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Su_mix = self.sim.u[0]
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# Multicomponent flame speed should be similar but not identical to
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# the mixture-averaged flame speed.
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self.solve_multi()
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Su_multi = self.sim.u[0]
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self.assertFalse(self.sim.soretEnabled)
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self.assertNear(Su_mix, Su_multi, 5e-2)
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self.assertNotEqual(Su_mix, Su_multi)
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# Flame speed with Soret effect should be similar but not identical to
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# the multicomponent flame speed
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self.sim.soretEnabled = True
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self.sim.solve(loglevel=0, refine_grid=True)
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self.assertTrue(self.sim.soretEnabled)
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Su_soret = self.sim.u[0]
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self.assertNear(Su_multi, Su_soret, 2e-1)
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self.assertNotEqual(Su_multi, Su_soret)
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def test_prune(self):
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reactants= 'H2:1.1, O2:1, AR:5'
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p = ct.OneAtm
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Tin = 300
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self.create_sim(p, Tin, reactants)
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self.solve_fixed_T()
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self.solve_mix(slope=0.1, curve=0.05, prune=0.0)
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N1 = len(self.sim.grid)
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self.solve_mix(slope=0.4, curve=0.2, prune=0.05)
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N2 = len(self.sim.grid)
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self.assertLess(N2, N1)
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# TODO: check that the solution is actually correct (i.e. that the
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# residual satisfies the error tolerances) on the new grid.
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def test_save_restore(self):
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reactants= 'H2:1.1, O2:1, AR:5'
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p = ct.OneAtm
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Tin = 300
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self.create_sim(p, Tin, reactants)
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self.solve_fixed_T()
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filename = 'onedim-fixed-T.xml'
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if os.path.exists(filename):
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os.remove(filename)
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Y1 = self.sim.Y
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u1 = self.sim.u
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V1 = self.sim.V
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self.sim.save(filename, 'test')
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self.create_sim(p, Tin, reactants)
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self.sim.restore(filename, 'test')
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Y2 = self.sim.Y
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u2 = self.sim.u
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V2 = self.sim.V
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self.assertArrayNear(Y1, Y2)
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self.assertArrayNear(u1, u2)
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self.assertArrayNear(V1, V2)
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