#
# Generated from file h2air_highT.inp
# by ck2cti on Mon May 15 10:34:03 2006
#
units(length = "cm", time = "s", quantity = "mol", act_energy = "cal/mol")


ideal_gas(name = "gas",
      elements = " H  O  N  Ar ",
      species = """ H2  H  O2  O  OH  HO2  H2O2  H2O  N  N2 
                   NO  AR """,
      reactions = "all",
      initial_state = state(temperature = 300.0,
                        pressure = OneAtm)    )



#-------------------------------------------------------------------------------
#  Species data 
#-------------------------------------------------------------------------------

species(name = "H2",
    atoms = " H:2 ",
    thermo = (
       NASA( [  200.00,  1000.00], [ 2.344302900E+000,  7.980424800E-003, 
              -1.947791700E-005,  2.015696700E-008, -7.376028900E-012,
              -9.179241300E+002,  6.830021800E-001] ),
       NASA( [ 1000.00,  6000.00], [ 2.932830500E+000,  8.265980200E-004, 
              -1.464005700E-007,  1.540985100E-011, -6.887961500E-016,
              -8.130558200E+002, -1.024316400E+000] )
             ),
    note = "REF ELEMENT RUS 78"
       )

species(name = "H",
    atoms = " H:1 ",
    thermo = (
       NASA( [  200.00,  1000.00], [ 2.500000000E+000,  0.000000000E+000, 
               0.000000000E+000,  0.000000000E+000,  0.000000000E+000,
               2.547366000E+004, -4.466828500E-001] ),
       NASA( [ 1000.00,  6000.00], [ 2.500000000E+000,  0.000000000E+000, 
               0.000000000E+000,  0.000000000E+000,  0.000000000E+000,
               2.547366000E+004, -4.466828500E-001] )
             ),
    note = "L 6/94"
       )

species(name = "O2",
    atoms = " O:2 ",
    thermo = (
       NASA( [  200.00,  1000.00], [ 3.782456360E+000, -2.996734150E-003, 
               9.847302000E-006, -9.681295080E-009,  3.243728360E-012,
              -1.063943560E+003,  3.657675730E+000] ),
       NASA( [ 1000.00,  6000.00], [ 3.660960830E+000,  6.563655230E-004, 
              -1.411494850E-007,  2.057976580E-011, -1.299132480E-015,
              -1.215977250E+003,  3.415361840E+000] )
             ),
    note = "REF ELEMENT RUS 89"
       )

species(name = "O",
    atoms = " O:1 ",
    thermo = (
       NASA( [  200.00,  1000.00], [ 3.168267100E+000, -3.279318840E-003, 
               6.643063960E-006, -6.128066240E-009,  2.112659710E-012,
               2.912225920E+004,  2.051933460E+000] ),
       NASA( [ 1000.00,  6000.00], [ 2.543636970E+000, -2.731624860E-005, 
              -4.190295200E-009,  4.954818450E-012, -4.795536940E-016,
               2.922601200E+004,  4.922294570E+000] )
             ),
    note = "L 1/90"
       )

species(name = "OH",
    atoms = " O:1  H:1 ",
    thermo = (
       NASA( [  200.00,  1000.00], [ 3.991984240E+000, -2.401066550E-003, 
               4.616640330E-006, -3.879163060E-009,  1.363195020E-012,
               3.368898360E+003, -1.039984770E-001] ),
       NASA( [ 1000.00,  6000.00], [ 2.838530330E+000,  1.107412890E-003, 
              -2.940002090E-007,  4.206987290E-011, -2.422898900E-015,
               3.697808080E+003,  5.844946520E+000] )
             ),
    note = "HYDROXYL RADI IU3/03"
       )

species(name = "HO2",
    atoms = " H:1  O:2 ",
    thermo = (
       NASA( [  200.00,  1000.00], [ 4.301788000E+000, -4.749020100E-003, 
               2.115795300E-005, -2.427596100E-008,  9.292067000E-012,
               2.948087600E+002,  3.716701000E+000] ),
       NASA( [ 1000.00,  6000.00], [ 4.172265900E+000,  1.881209800E-003, 
              -3.462929700E-007,  1.946851600E-011,  1.760915300E-016,
               6.181885100E+001,  2.957797400E+000] )
             ),
    note = "L 5/89"
       )

species(name = "H2O2",
    atoms = " H:2  O:2 ",
    thermo = (
       NASA( [  200.00,  1000.00], [ 4.315151490E+000, -8.473906220E-004, 
               1.764043230E-005, -2.267629440E-008,  9.089501580E-012,
              -1.770674370E+004,  3.273733190E+000] ),
       NASA( [ 1000.00,  6000.00], [ 4.579773050E+000,  4.053260030E-003, 
              -1.298447300E-006,  1.982114000E-010, -1.139687920E-014,
              -1.800717750E+004,  6.649706940E-001] )
             ),
    note = "T 8/03"
       )

species(name = "H2O",
    atoms = " H:2  O:1 ",
    thermo = (
       NASA( [  200.00,  1000.00], [ 4.198635200E+000, -2.036401700E-003, 
               6.520341600E-006, -5.487926900E-009,  1.771968000E-012,
              -3.029372600E+004, -8.490090100E-001] ),
       NASA( [ 1000.00,  6000.00], [ 2.677038900E+000,  2.973181600E-003, 
              -7.737688900E-007,  9.443351400E-011, -4.268999100E-015,
              -2.988589400E+004,  6.882550000E+000] )
             ),
    note = "L 5/89"
       )

species(name = "N",
    atoms = " N:1 ",
    thermo = (
       NASA( [  200.00,  1000.00], [ 2.500000000E+000,  0.000000000E+000, 
               0.000000000E+000,  0.000000000E+000,  0.000000000E+000,
               5.610463800E+004,  4.193908800E+000] ),
       NASA( [ 1000.00,  6000.00], [ 2.415942900E+000,  1.748906500E-004, 
              -1.190236900E-007,  3.022624400E-011, -2.036098300E-015,
               5.613377500E+004,  4.649609500E+000] )
             ),
    note = "L 6/88"
       )

species(name = "N2",
    atoms = " N:2 ",
    thermo = (
       NASA( [  200.00,  1000.00], [ 3.531005280E+000, -1.236609880E-004, 
              -5.029994330E-007,  2.435306120E-009, -1.408812350E-012,
              -1.046976280E+003,  2.967470380E+000] ),
       NASA( [ 1000.00,  6000.00], [ 2.952576370E+000,  1.396900400E-003, 
              -4.926316030E-007,  7.860101950E-011, -4.607552040E-015,
              -9.239486880E+002,  5.871887620E+000] )
             ),
    note = "REF ELEMENT G 8/02"
       )

species(name = "NO",
    atoms = " N:1  O:1 ",
    thermo = (
       NASA( [  200.00,  1000.00], [ 4.218598960E+000, -4.639881240E-003, 
               1.104430490E-005, -9.340555070E-009,  2.805548740E-012,
               9.845099640E+003,  2.280610010E+000] ),
       NASA( [ 1000.00,  6000.00], [ 3.260712340E+000,  1.191011350E-003, 
              -4.291226460E-007,  6.944814630E-011, -4.032956810E-015,
               9.921431320E+003,  6.369005180E+000] )
             ),
    note = "RUS 89"
       )

species(name = "AR",
    atoms = " Ar:1 ",
    thermo = (
       NASA( [  200.00,  1000.00], [ 2.500000000E+000,  0.000000000E+000, 
               0.000000000E+000,  0.000000000E+000,  0.000000000E+000,
              -7.453750000E+002,  4.379674900E+000] ),
       NASA( [ 1000.00,  6000.00], [ 2.500000000E+000,  0.000000000E+000, 
               0.000000000E+000,  0.000000000E+000,  0.000000000E+000,
              -7.453750000E+002,  4.379674900E+000] )
             ),
    note = "REF ELEMENT L 6/88"
       )



#-------------------------------------------------------------------------------
#  Reaction data 
#-------------------------------------------------------------------------------

#  Reaction 1
reaction( "H2 + O2 <=> 2 OH",   [1.70000E+013, 0, 47780])

#  Reaction 2
#  D-L&W
reaction( "OH + H2 <=> H2O + H",   [1.17000E+009, 1.3, 3626])

#  Reaction 3
#  JAM 1986
reaction( "O + OH <=> O2 + H",   [4.00000E+014, -0.5, 0])

#  Reaction 4
#  KLEMM,ET AL 1986
reaction( "O + H2 <=> OH + H",   [5.06000E+004, 2.67, 6290])

#  Reaction 5
#  DIXON-LEWIS
three_body_reaction( "H + O2 + M <=> HO2 + M",   [3.61000E+017, -0.72, 0],
         efficiencies = " H2:2.86  H2O:18.6  N2:1.26 ")

#  Reaction 6
#  D-L
reaction( "OH + HO2 <=> H2O + O2",   [7.50000E+012, 0, 0])

#  Reaction 7
#  D-L
reaction( "H + HO2 <=> 2 OH",   [1.40000E+014, 0, 1073])

#  Reaction 8
#  D-L
reaction( "O + HO2 <=> O2 + OH",   [1.40000E+013, 0, 1073])

#  Reaction 9
#  COHEN-WEST.
reaction( "2 OH <=> O + H2O",   [6.00000E+008, 1.3, 0])

#  Reaction 10
#  D-L
three_body_reaction( "H + H + M <=> H2 + M",   [1.00000E+018, -1, 0],
         efficiencies = " H2:0  H2O:0 ")

#  Reaction 11
reaction( "H + H + H2 <=> H2 + H2",   [9.20000E+016, -0.6, 0])

#  Reaction 12
reaction( "H + H + H2O <=> H2 + H2O",   [6.00000E+019, -1.25, 0])

#  Reaction 13
#  D-L
three_body_reaction( "H + OH + M <=> H2O + M",   [1.60000E+022, -2, 0],
         efficiencies = " H2O:5 ")

#  Reaction 14
#  D-L
three_body_reaction( "H + O + M <=> OH + M",   [6.20000E+016, -0.6, 0],
         efficiencies = " H2O:5 ")

#  Reaction 15
#  NBS
three_body_reaction( "O + O + M <=> O2 + M",   [1.89000E+013, 0, -1788])

#  Reaction 16
#  D-L
reaction( "H + HO2 <=> H2 + O2",   [1.25000E+013, 0, 0])

#  Reaction 17
reaction( "HO2 + HO2 <=> H2O2 + O2",   [2.00000E+012, 0, 0])

#  Reaction 18
three_body_reaction( "H2O2 + M <=> OH + OH + M",   [1.30000E+017, 0, 45500])

#  Reaction 19
reaction( "H2O2 + H <=> HO2 + H2",   [1.60000E+012, 0, 3800])

#  Reaction 20
reaction( "H2O2 + OH <=> H2O + HO2",   [1.00000E+013, 0, 1800])

#  Reaction 21
reaction( "O + N2 <=> NO + N",   [1.40000E+014, 0, 75800])

#  Reaction 22
reaction( "N + O2 <=> NO + O",   [6.40000E+009, 1, 6280])

#  Reaction 23
reaction( "OH + N <=> NO + H",   [4.00000E+013, 0, 0])

#  Reaction 24
#  Hanson and Saliman
three_body_reaction( "N2 + M <=> N + N + M",   [3.71000E+021, -1.6, 224928])