c29ae666c0
This allows specification of lumped species with average compositions, such as C10.6H21.8.
67 lines
2.5 KiB
Text
67 lines
2.5 KiB
Text
units(length = "cm", time = "s", quantity = "mol", act_energy = "cal/mol")
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ideal_gas(name = "float",
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elements = " O H C ",
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species = """ O2 H2O CO2 CnHm """,
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reactions = "all",
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initial_state = state(temperature = 300.0,
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pressure = OneAtm) )
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species(name = "O2",
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atoms = " O:2 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 3.782456360E+00, -2.996734160E-03,
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9.847302010E-06, -9.681295090E-09, 3.243728370E-12,
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-1.063943560E+03, 3.657675730E+00] ),
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NASA( [ 1000.00, 3500.00], [ 3.282537840E+00, 1.483087540E-03,
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-7.579666690E-07, 2.094705550E-10, -2.167177940E-14,
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-1.088457720E+03, 5.453231290E+00] )
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)
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)
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species(name = "H2O",
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atoms = " H:2 O:1 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 4.198640560E+00, -2.036434100E-03,
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6.520402110E-06, -5.487970620E-09, 1.771978170E-12,
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-3.029372670E+04, -8.490322080E-01] ),
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NASA( [ 1000.00, 3500.00], [ 3.033992490E+00, 2.176918040E-03,
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-1.640725180E-07, -9.704198700E-11, 1.682009920E-14,
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-3.000429710E+04, 4.966770100E+00] )
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)
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)
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species(name = "CO2",
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atoms = " C:1 O:2 ",
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thermo = (
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NASA( [ 200.00, 1000.00], [ 2.356773520E+00, 8.984596770E-03,
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-7.123562690E-06, 2.459190220E-09, -1.436995480E-13,
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-4.837196970E+04, 9.901052220E+00] ),
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NASA( [ 1000.00, 3500.00], [ 3.857460290E+00, 4.414370260E-03,
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-2.214814040E-06, 5.234901880E-10, -4.720841640E-14,
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-4.875916600E+04, 2.271638060E+00] )
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),
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transport = gas_transport(
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geom = "linear",
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diam = 3.76,
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well_depth = 244.00,
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polar = 2.65,
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rot_relax = 2.10),
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note = "L 7/88"
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)
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species(name = "CnHm",
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atoms = " C:10.65 H:21.8 ",
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thermo = (
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NASA( [ 300.00, 1000.00], [ 9.335538100E-01, 2.642457900E-02,
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6.105972700E-06, -2.197749900E-08, 9.514925300E-12,
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-1.395852000E+04, 1.920169100E+01] ),
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NASA( [ 1000.00, 5000.00], [ 7.534136800E+00, 1.887223900E-02,
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-6.271849100E-06, 9.147564900E-10, -4.783806900E-14,
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-1.646751600E+04, -1.789234900E+01] )
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)
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)
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reaction( "CnHm + 16.1 O2 => 10.65 CO2 + 10.9 H2O", [3.16000E+07, 1.8, 934])
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