92 lines
3.2 KiB
Python
92 lines
3.2 KiB
Python
from __future__ import division
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import unittest
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import numpy as np
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import Cantera as ct
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class EquilTestCases(object):
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def __init__(self, solver):
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self.solver = solver
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"""
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Test the ChemEquil equilibrium solver
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"""
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def check(self, gas, **moles):
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nTotal = sum(moles.values())
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for name,X in moles.iteritems():
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self.assertAlmostEqual(gas.moleFraction(name), X/nTotal)
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def test_equil_complete_stoichiometric(self):
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"""
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Equilibrium should correspond to complete combustion
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"""
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gas = ct.importPhase('equilibrium.cti', 'complete')
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gas.set(X='CH4:1.0, O2:2.0', T=298, P=100000)
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gas.equilibrate('TP', self.solver)
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self.check(gas, CH4=0, O2=0, H2O=2, CO2=1)
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def test_equil_complete_lean(self):
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"""
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Equilibrium should correspond to complete combustion (with excess O2)
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CH4 + 3 O2 -> CO2 + 2 H2O + O2
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"""
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gas = ct.importPhase('equilibrium.cti', 'complete')
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gas.set(X='CH4:1.0, O2:3.0', T=298, P=100000)
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gas.equilibrate('TP', self.solver)
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self.check(gas, CH4=0, O2=1, H2O=2, CO2=1)
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def test_equil_incomplete_stoichiometric(self):
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gas = ct.importPhase('equilibrium.cti', 'incomplete')
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gas.set(X='CH4:1.0, O2:2.0', T=301, P=100000)
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gas.equilibrate('TP', self.solver)
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self.check(gas, CH4=0, O2=0, H2O=2, CO2=1)
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def test_equil_incomplete_lean(self):
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gas = ct.importPhase('equilibrium.cti', 'incomplete')
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gas.set(X='CH4:1.0, O2:3.0', T=301, P=100000)
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gas.equilibrate('TP', self.solver)
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self.check(gas, CH4=0, O2=1, H2O=2, CO2=1)
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def test_equil_gri_stoichiometric(self):
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gas = ct.importPhase('gri30.xml')
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gas.set(X='CH4:1.0, O2:2.0', T=301, P=100000)
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gas.equilibrate('TP', self.solver)
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self.check(gas, CH4=0, O2=0, H2O=2, CO2=1)
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def test_equil_gri_lean(self):
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gas = ct.importPhase('gri30.xml')
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gas.set(X='CH4:1.0, O2:3.0', T=301, P=100000)
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gas.equilibrate('TP', self.solver)
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self.check(gas, CH4=0, O2=1, H2O=2, CO2=1)
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def test_equil_overconstrained1(self):
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gas = ct.importPhase('equilibrium.cti', 'overconstrained-1')
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gas.set(X='CH4:1.0, O2:1.0', T=301, P=100000)
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gas.equilibrate('TP', self.solver)
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self.check(gas, CH4=1, O2=1)
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def test_equil_overconstrained2(self):
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gas = ct.importPhase('equilibrium.cti', 'overconstrained-2')
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gas.set(X='CH4:1.0, O2:1.0', T=301, P=100000)
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gas.equilibrate('TP', self.solver)
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self.check(gas, CH4=1, O2=1)
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class ChemEquilTest(EquilTestCases, unittest.TestCase):
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def __init__(self, *args, **kwargs):
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EquilTestCases.__init__(self, 0)
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unittest.TestCase.__init__(self, *args, **kwargs)
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class MultiphaseEquilTest(EquilTestCases, unittest.TestCase):
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def __init__(self, *args, **kwargs):
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EquilTestCases.__init__(self, 1)
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unittest.TestCase.__init__(self, *args, **kwargs)
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class VCS_EquilTest(EquilTestCases, unittest.TestCase):
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def __init__(self, *args, **kwargs):
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EquilTestCases.__init__(self, 2)
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unittest.TestCase.__init__(self, *args, **kwargs)
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