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simple_air.cti
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simple_air.cti
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# Simplified from 'Air.cti' by Corey R. Randall (Wed 6/6/18)
# Generated from file air.inp
# by ck2cti on Fri Oct 19 10:20:22 2007
#
# Transport data from file ../transport/gri30_tran.dat.
units(length = "cm", time = "s", quantity = "mol", act_energy = "cal/mol")
ideal_gas(name = "air",
elements = " O N Ar ",
species = """ O2 N2 AR """,
reactions = "none",
transport = "Mix",
initial_state = state(temperature = 300.0,
pressure = OneAtm,
mole_fractions = 'O2:0.21, N2:0.78, AR:0.01') )
#-------------------------------------------------------------------------------
# Species data
#-------------------------------------------------------------------------------
species(name = "O2",
atoms = " O:2 ",
thermo = (
NASA( [ 200.00, 1000.00], [ 3.782456360E+00, -2.996734160E-03,
9.847302010E-06, -9.681295090E-09, 3.243728370E-12,
-1.063943560E+03, 3.657675730E+00] ),
NASA( [ 1000.00, 3500.00], [ 3.282537840E+00, 1.483087540E-03,
-7.579666690E-07, 2.094705550E-10, -2.167177940E-14,
-1.088457720E+03, 5.453231290E+00] )
),
transport = gas_transport(
geom = "linear",
diam = 3.46,
well_depth = 107.40,
polar = 1.60,
rot_relax = 3.80),
note = "TPIS89"
)
species(name = "N2",
atoms = " N:2 ",
thermo = (
NASA( [ 300.00, 1000.00], [ 3.298677000E+00, 1.408240400E-03,
-3.963222000E-06, 5.641515000E-09, -2.444854000E-12,
-1.020899900E+03, 3.950372000E+00] ),
NASA( [ 1000.00, 5000.00], [ 2.926640000E+00, 1.487976800E-03,
-5.684760000E-07, 1.009703800E-10, -6.753351000E-15,
-9.227977000E+02, 5.980528000E+00] )
),
transport = gas_transport(
geom = "linear",
diam = 3.62,
well_depth = 97.53,
polar = 1.76,
rot_relax = 4.00),
note = "121286"
)
species(name = "AR",
atoms = " Ar:1 ",
thermo = (
NASA( [ 300.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00,
0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
-7.453750000E+02, 4.366000000E+00] ),
NASA( [ 1000.00, 5000.00], [ 2.500000000E+00, 0.000000000E+00,
0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
-7.453750000E+02, 4.366000000E+00] )
),
transport = gas_transport(
geom = "atom",
diam = 3.33,
well_depth = 136.50),
note = "120186"
)
#-------------------------------------------------------------------------------
# Reaction data
#-------------------------------------------------------------------------------
# Reaction 1
# three_body_reaction( "2 O + M <=> O2 + M", [1.20000E+17, -1, 0],
# efficiencies = " AR:0.83 ")
# Reaction 2
# reaction( "N + NO <=> N2 + O", [2.70000E+13, 0, 355])
# Reaction 3
# reaction( "N + O2 <=> NO + O", [9.00000E+09, 1, 6500])
# Reaction 4
# reaction( "N2O + O <=> N2 + O2", [1.40000E+12, 0, 10810])
# Reaction 5
# reaction( "N2O + O <=> 2 NO", [2.90000E+13, 0, 23150])
# Reaction 6
# falloff_reaction( "N2O (+ M) <=> N2 + O (+ M)",
# kf = [7.91000E+10, 0, 56020],
# kf0 = [6.37000E+14, 0, 56640],
# efficiencies = " AR:0.625 ")
# Reaction 7
# three_body_reaction( "NO + O + M <=> NO2 + M", [1.06000E+20, -1.41, 0],
# efficiencies = " AR:0.7 ")
# Reaction 8
# reaction( "NO2 + O <=> NO + O2", [3.90000E+12, 0, -240])