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])