70 lines
3 KiB
Text
70 lines
3 KiB
Text
#
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#
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#
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#
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units(length = "cm", time = "s", quantity = "mol", act_energy = "cal/mol")
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ideal_gas(name = "sample",
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elements = " O H Al Cl E Ar ",
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species = """ ALCL3 e- AR """,
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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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#-------------------------------------------------------------------------------
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# Species data
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#-------------------------------------------------------------------------------
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species(name = "ALCL3",
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atoms = " Al:1 Cl:3 ",
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thermo = (
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NASA9( [ 200.00, 1000.00], [ 7.750600970E+04, -1.440779717E+03, 1.401744141E+01,
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-6.381631240E-03, 5.871674720E-06, -2.908872278E-09,
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5.994050890E-13, -6.579343180E+04, -4.494017799E+01] ),
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NASA9( [ 1000.00, 6000.00], [ -1.378630916E+05, -5.579207290E+01, 1.004190387E+01,
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-1.682165339E-05, 3.724664660E-09, -4.275526780E-13,
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1.982341329E-17, -7.343407470E+04, -2.045130429E+01] )
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),
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note = " Gurvich,1996a pt1 p173 pt2 p134."
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)
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species(name = "e-",
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atoms = " E:1 ",
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thermo = (
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NASA9( [ 298.15, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00,
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0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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0.000000000E+00, -7.453750000E+02, -1.172081224E+01] ),
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NASA9( [ 1000.00, 6000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00,
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0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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0.000000000E+00, -7.453750000E+02, -1.172081224E+01] ),
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NASA9( [ 6000.00, 20000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00,
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0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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0.000000000E+00, -7.453750000E+02, -1.172081224E+01] )
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),
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note = " Ref-Species. Chase, 1998 3/82. "
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)
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species(name = "AR",
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atoms = " Ar:1 ",
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thermo = (
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NASA9( [ 200.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00,
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0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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0.000000000E+00, -7.453750000E+02, 4.379674910E+00] ),
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NASA9( [ 1000.00, 6000.00], [ 2.010538475E+01, -5.992661070E-02, 2.500069401E+00,
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-3.992141160E-08, 1.205272140E-11, -1.819015576E-15,
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1.078576636E-19, -7.449939610E+02, 4.379180110E+00] ),
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NASA9( [ 6000.00, 20000.00], [ -9.951265080E+08, 6.458887260E+05, -1.675894697E+02,
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2.319933363E-02, -1.721080911E-06, 6.531938460E-11,
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-9.740147729E-16, -5.078300340E+06, 1.465298484E+03] )
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),
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note = " Ref-Elm. Moore,1971. Gordon,1999.. "
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)
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#-------------------------------------------------------------------------------
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# Reaction data
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#-------------------------------------------------------------------------------
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