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- units(length='cm', time='s', quantity='mol', act_energy='K')
-
- #ideal_gas(name='gas',
- # elements="N E Ar",
- # species="""e- N N+ N2 N2+ AR""",
- # reactions='all',
- # initial_state=state(temperature=300.0, pressure=OneAtm))
- #
- #ideal_gas(name='transport',
- # elements="N E Ar",
- # species="""N N+ N2 N2+ AR""",
- # transport='Mix',
- # initial_state=state(temperature=300.0, pressure=OneAtm))
-
- ideal_gas(name='gas',
- elements="N E",
- species="""e- N N+ N2 N2+ """,
- reactions='all',
- initial_state=state(temperature=300.0, pressure=OneAtm))
-
- ideal_gas(name='transport',
- elements="N E ",
- species="""N N+ N2 N2+ """,
- transport='Mix',
- initial_state=state(temperature=300.0, pressure=OneAtm))
-
- #-------------------------------------------------------------------------------
- # Species data
- #-------------------------------------------------------------------------------
-
- species(name='e-',
- atoms='E:1',
- thermo=(NASA9([298.15, 1000.00],
- [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00,
- 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
- 0.000000000E+00, -7.453750000E+02, -1.172081224E+01]),
- NASA9([1000.00, 6000.00],
- [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00,
- 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
- 0.000000000E+00, -7.453750000E+02, -1.172081224E+01]),
- NASA9([6000.00, 20000.00],
- [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00,
- 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
- 0.000000000E+00, -7.453750000E+02, -1.172081224E+01])),
- note='Ref-Species. Chase,1998 3/82. [g12/98]')
-
- #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"
- # )
-
- species(name='N',
- atoms='N:1',
- thermo=(NASA9([200.00, 1000.00],
- [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00,
- 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
- 0.000000000E+00, 5.610463780E+04, 4.193905036E+00]),
- NASA9([1000.00, 6000.00],
- [ 8.876501380E+04, -1.071231500E+02, 2.362188287E+00,
- 2.916720081E-04, -1.729515100E-07, 4.012657880E-11,
- -2.677227571E-15, 5.697351330E+04, 4.865231506E+00]),
- NASA9([6000.00, 20000.00],
- [ 5.475181050E+08, -3.107574980E+05, 6.916782740E+01,
- -6.847988130E-03, 3.827572400E-07, -1.098367709E-11,
- 1.277986024E-16, 2.550585618E+06, -5.848769753E+02])),
- transport = gas_transport(
- geom = "atom",
- diam = 3.30,
- well_depth = 71.40),
- note='Hf:Cox,1989. Moore,1975. Gordon,1999. [g 5/97]')
-
- species(name='N+',
- atoms='E:-1 N:1',
- thermo=(NASA9([298.15, 1000.00],
- [ 5.237079210E+03, 2.299958315E+00, 2.487488821E+00,
- 2.737490756E-05, -3.134447576E-08, 1.850111332E-11,
- -4.447350984E-15, 2.256284738E+05, 5.076830786E+00]),
- NASA9([1000.00, 6000.00],
- [ 2.904970374E+05, -8.557908610E+02, 3.477389290E+00,
- -5.288267190E-04, 1.352350307E-07, -1.389834122E-11,
- 5.046166279E-16, 2.310809984E+05, -1.994146545E+00]),
- NASA9([6000.00, 20000.00],
- [ 1.646092148E+07, -1.113165218E+04, 4.976986640E+00,
- -2.005393583E-04, 1.022481356E-08, -2.691430863E-13,
- 3.539931593E-18, 3.136284696E+05, -1.706646380E+01])),
- transport = gas_transport(
- geom = "atom",
- diam = 3.30,
- well_depth = 71.40),
- note='Moore,1975. Gordon,1999. [g 6/97]')
-
- species(name='N2',
- atoms='N:2',
- thermo=(NASA9([200.00, 1000.00],
- [ 2.210371497E+04, -3.818461820E+02, 6.082738360E+00,
- -8.530914410E-03, 1.384646189E-05, -9.625793620E-09,
- 2.519705809E-12, 7.108460860E+02, -1.076003744E+01]),
- NASA9([1000.00, 6000.00],
- [ 5.877124060E+05, -2.239249073E+03, 6.066949220E+00,
- -6.139685500E-04, 1.491806679E-07, -1.923105485E-11,
- 1.061954386E-15, 1.283210415E+04, -1.586640027E+01]),
- NASA9([6000.00, 20000.00],
- [ 8.310139160E+08, -6.420733540E+05, 2.020264635E+02,
- -3.065092046E-02, 2.486903333E-06, -9.705954110E-11,
- 1.437538881E-15, 4.938707040E+06, -1.672099740E+03])),
- transport = gas_transport(
- geom = "linear",
- diam = 3.62,
- well_depth = 97.53,
- polar = 1.76,
- rot_relax = 4.00),
- note='Ref-Elm. Gurvich,1978 pt1 p280 pt2 p207. [tpis78]')
-
- species(name='N2+',
- atoms='E:-1 N:2',
- thermo=(NASA9([298.15, 1000.00],
- [-3.474047470E+04, 2.696222703E+02, 3.164916370E+00,
- -2.132239781E-03, 6.730476400E-06, -5.637304970E-09,
- 1.621756000E-12, 1.790004424E+05, 6.832974166E+00]),
- NASA9([1000.00, 6000.00],
- [-2.845599002E+06, 7.058893030E+03, -2.884886385E+00,
- 3.068677059E-03, -4.361652310E-07, 2.102514545E-11,
- 5.411996470E-16, 1.340388483E+05, 5.090897022E+01]),
- NASA9([6000.00, 20000.00],
- [-3.712829770E+08, 3.139287234E+05, -9.603518050E+01,
- 1.571193286E-02, -1.175065525E-06, 4.144441230E-11,
- -5.621893090E-16, -2.217361867E+06, 8.436270947E+02])),
- transport = gas_transport(
- geom = "linear",
- diam = 3.62,
- well_depth = 97.53,
- polar = 1.76,
- rot_relax = 4.00),
- note='Gurvich,1989 pt1 p323 pt2 p200. [tpis89]')
-
- #-------------------------------------------------------------------------------
- # Reaction data
- #-------------------------------------------------------------------------------
-
- # Reaction 1
- reaction('N2 + N2 <=> N2 + N + N', [7.000000e+21, -1.6, 113200.0])
-
- # Reaction 2
- reaction('N2 + N <=> N + N + N', [3.000000e+22, -1.6, 113200.0])
-
- # Reaction 3
- reaction('N2 + e- <=> N + N + e-', [3.000000e+24, -1.6, 113200.0])
-
- # Reaction 4
- reaction('N + N <=> N2+ + e-', [4.400000e+07, 1.5, 67500.0])
-
- # Reaction 5
- reaction('N + e- <=> N+ + e- + e-', [2.500000e+34, -3.82, 168600.0])
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