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: H2 H O O2 OH H2O HO2 H2O2 AR""",
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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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