11a0727d5c
Exact floating point equality can be assured only in the case where the species are added in the same order, since this affects summations involved in calculating the mixture molecular weight. This resulted in test failures with certain versions of the Intel compiler. Resolves #433.
33 lines
1.5 KiB
Text
33 lines
1.5 KiB
Text
units(length='m', time='s', quantity='kmol', act_energy='cal/mol')
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ideal_gas(name = "ohmech",
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elements = " O H Ar ",
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species = """ h2o2: AR O H2 H OH O2 H2O H2O2 HO2""",
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reactions = "all",
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transport = "None",
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initial_state = state(temperature = 300.0,
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pressure = OneAtm) )
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reaction('O + H2 <=> H + OH', [3.870000e+01, 2.7, 6260.0])
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three_body_reaction('2 O + M <=> O2 + M', [1.200000e+11, -1.0, 0.0],
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efficiencies='AR:0.83 H2:2.4 H2O:15.4')
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falloff_reaction('2 OH (+ M) <=> H2O2 (+ M)',
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kf=[7.400000e+10, -0.37, 0.0],
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kf0=[2.300000e+12, -0.9, -1700.0],
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efficiencies='AR:0.7 H2:2.0 H2O:6.0',
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falloff=Troe(A=0.7346, T3=94.0, T1=1756.0, T2=5182.0))
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pdep_arrhenius('H2 + O2 <=> 2 OH',
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[(0.01, 'atm'), 1.212400e+16, -0.5779, 10872.7],
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[(1.0, 'atm'), 4.910800e+31, -4.8507, 24772.8],
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[(10.0, 'atm'), 1.286600e+47, -9.0246, 39796.5],
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[(100.0, 'atm'), 5.963200e+56, -11.529, 52599.6])
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chebyshev_reaction('HO2 <=> OH + O',
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Tmin=290.0, Tmax=3000.0,
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Pmin=(0.0098692326671601278, 'atm'), Pmax=(98.692326671601279, 'atm'),
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coeffs=[[ 8.28830e+00, -1.13970e+00, -1.20590e-01, 1.60340e-02],
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[ 1.97640e+00, 1.00370e+00, 7.28650e-03, -3.04320e-02],
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[ 3.17700e-01, 2.68890e-01, 9.48060e-02, -7.63850e-03]])
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