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ELEMENTS
H O C N AR
END
SPECIES
H2 O2 OH H H2O O H2O2 HO2
CH4 CO CO2 HCO CH3O CH2OH CH2O CH3 CH2 CH2(S) CH HCCO CH3O2 CH4O2
C2H6 C2H5 C2H4 C2H3 C2H2 C2H CH3CO CH2CO C3H2 C3H3 C3H4 C3H5 C3H6 HCCOH
C2H5OH CH3HCO CH3CHOH CH3OH C4H2 C4H3 CH3OCH3 CH3OCH2 CH3OCH2OOH CH3OCH2OO
CH3OCH2O HCOOCH3 HCOOH CH3OCO
O3 N2 AR C
THERMO ! 1995 NASA COMPILATION + EDGAR DATA
CH3O2 L 1/84C 1H 3O 2N 0G 300.000 5000.00 1
0.66812963E 01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
0.52621851E 03-0.99423847E 01 0.20986490E 01 0.15786357E-01 0.75683261E-07 3
-0.11274587E-07 0.56665133E-11 0.20695879E 04 0.15007068E 02 4
CH4O2 T12/93C 1H 4O 2N 0G 200.000 6000.000 1
0.61600316E+01 0.10239957E-01-0.36101507E-05 0.57550301E-09-0.34178147E-13 2
-0.17654526E+05-0.61911544E+01 0.49652507E+01 0.92343510E-03 0.34455956E-04 3
-0.44469600E-07 0.17456120E-10-0.16726970E+05 0.29880275E+01 4
C2H5OH L 8/88C 2H 6O 1N 0G 200.000 6000.000 1
0.65624365E+01 0.15204222E-01-0.53896795E-05 0.86225011E-09-0.51289787E-13 2
-0.31525621E+05-0.94730202E+01 0.48586957E+01-0.37401726E-02 0.69555378E-04 3
-0.88654796E-07 0.35168835E-10-0.29996132E+05 0.48018545E+01-0.28257829E+05 4
C3H3 BUR 92C 3H 3O 0N 0G 200.000 6000.000 1
6.64175821E+00 8.08587428E-03-2.84787887E-06 4.53525977E-10-2.68879815E-14 2
3.89793699E+04-1.04004255E+01 1.82840766E+00 2.37839036E-02-2.19228176E-05 3
1.00067444E-08-1.38984644E-12 4.01863058E+04 1.38447957E+01 4.16139977E+04 4
C3H4 L12/92C 3H 4O 0N 0G 200.000 6000.000 1
6.31694869E+00 1.11336262E-02-3.96289018E-06 6.35633775E-10-3.78749885E-14 2
2.01174617E+04-1.09718862E+01 2.61307487E+00 1.21223371E-02 1.85405400E-05 3
-3.45258475E-08 1.53353389E-11 2.15415642E+04 1.02503319E+01 2.29622672E+04 4
C3H5 BUR 92C 3H 5O 0N 0G 200.000 6000.000 1
6.54761132E+00 1.33152246E-02-4.78333100E-06 7.71949814E-10-4.61930808E-14 2
1.72714707E+04-9.27486841E+00 3.78794693E+00 9.48414335E-03 2.42343368E-05 3
-3.65604010E-08 1.48592356E-11 1.86261218E+04 7.82822499E+00 2.03259122E+04 4
C4H2 L 2/93C 4H 2O 0N 0G 200.000 6000.000 1
8.66704895E+00 6.71505191E-03-2.35355060E-06 3.73635366E-10-2.21054043E-14 2
5.10016978E+04-2.18002050E+01-4.07132393E-01 5.20775143E-02-9.21138340E-05 3
8.08657403E-08-2.70422080E-11 5.25957367E+04 2.03240223E+01 5.41222513E+04 4
C4H3 L 9/89C 4H 3O 0N 0G 298.150 6000.000 1
0.84762079E+01 0.88782327E-02-0.30328412E-05 0.47358302E-09-0.27716627E-13 2
0.54756540E+05-0.17170551E+02 0.24173247E+01 0.24104782E-01-0.12813470E-04 3
-0.28606237E-08 0.39194527E-11 0.56506476E+05 0.14471107E+02 0.58181574E+05 4
C4H4 L 9/89C 4H 4O 0N 0G 200.000 6000.000 1
0.82948104E+01 0.11994381E-01-0.42624075E-05 0.68306978E-09-0.40680631E-13 2
0.33550866E+05-0.18426826E+02 0.14049083E+01 0.29531073E-01-0.15596302E-04 3
-0.32142002E-08 0.45436937E-11 0.35507830E+05 0.17450183E+02 0.37097268E+05 4
CH3OCH3 L12/92C 2H 6O 1N 0G 200.000 6000.000 1
5.64844183E+00 1.63381899E-02-5.86802367E-06 9.46836869E-10-5.66504738E-14 2
-2.51074690E+04-5.96264939E+00 5.30562279E+00-2.14254272E-03 5.30873244E-05 3
-6.23147136E-08 2.30731036E-11-2.39866295E+04 7.13264209E-01-2.21432171E+04 4
CH3OCH2 T11/82C 2H 5O 1N 0G 300.000 5000.0 1
0.65567484E+01 0.12180723E-01-0.40628420E-05 0.59495830E-09-0.31276214E-13 2
-0.40282515E+04-0.81302772E+01 0.35953999E+01 0.13379216E-01 0.53914910E-05 3
-0.10947097E-07 0.38193320E-11-0.27021975E+04 0.92850365E+01 4
CH3OCH2OOH Jan96 C 2H 6O 3N 0G 300.00 3000.00 1000. 0 1
7.66981055E+00 2.35536769E-02-1.15031834E-05 2.84464629E-09-2.79520304E-13 2
-3.96295537E+04-1.39224857E+01 3.05518950E-02 4.90560834E-02-4.43030986E-05 3
2.21548123E-08-4.66587486E-12-3.80282020E+04 2.43189660E+01 4
CH3OCH2OO Jan96 C 2H 5O 3N 0G 300.00 3000.00 1000. 0 1
8.06217488E+00 2.05153644E-02-1.00803231E-05 2.50244952E-09-2.46544863E-13 2
-2.19951127E+04-1.59505736E+01 4.74967287E-01 4.68199208E-02-4.55041928E-05 3
2.44627078E-08-5.51108848E-12-2.04517448E+04 2.17234867E+01 4
CH3OCH2O Jan96 C 2H 5O 2N 0G 300.00 3000.00 1000. 0 1
5.98450336E+00 1.93302785E-02-9.44575204E-06 2.33651645E-09-2.29626013E-13 2
-2.12266609E+04-7.95685946E+00-1.22386711E-01 3.94270827E-02-3.47990406E-05 3
1.69073231E-08-3.44801024E-12-1.99352987E+04 2.26909497E+01 4
CH3OCHO Jan96 C 2H 4O 2N 0G 300.00 3000.00 1000. 1
5.46071782E+00 1.70659166E-02-8.38236448E-06 2.08015776E-09-2.04870146E-13 2
-4.58756417E+04-3.33482124E+00-4.40150386E-01 3.69251939E-02-3.41468832E-05 3
1.73800460E-08-3.70831952E-12-4.46516329E+04 2.61277510E+01 4
HCOOCH3 C 2H 4O 2N 0G 300.000 5000.000 1
0.83982000E 01 0.11267000E-01-0.41325000E-05 0.72745000E-09-0.48932000E-13 2
-0.48328000E 05-0.18820000E 02-0.15323000E 01 0.43051000E-01-0.45098000E-04 3
0.26064000E-07-0.63345000E-11-0.45711000E 05 0.31603000E 02 4
HCOOH L 8/88H 2.C 1.O 2. 0.G 200.000 6000.000 1
5.69579404E+00 7.72237361E-03-3.18037808E-06 5.57949466E-10-3.52618226E-14 2
-4.81599723E+04-6.01680080E+00 3.23262453E+00 2.81129582E-03 2.44034975E-05 3
-3.17501066E-08 1.20631660E-11-4.67785606E+04 9.86205647E+00-4.55312460E+04 4
CH3OCO C 2H 3O 2 0G 300.000 5000.000 1
0.76505900E 01 0.99082000E-02-0.37559700E-05 0.67845900E-09-0.46572100E-13 2
-0.24947700E 05-0.12937300E 02-0.89045900E 00 0.38842600E-01-0.42829300E-04 3
0.25682800E-07-0.63729700E-11-0.22835200E 05 0.29911300E 02 4
END
REACTIONS
CH4 + O2 = CH3 + HO2 7.900E+13 0.00 56000.
CH4 + H = CH3 + H2 6.600E+08 1.62 10840. ! 2.200E+04 3.00 8750.
CH4 + OH = CH3 + H2O 1.600E+06 2.10 2460.
CH4 + O = CH3 + OH 1.020E+09 1.50 8604.
CH4 + HO2 = CH3 + H2O2 1.800E+11 0.00 18700.
CH3 + HO2 = CH3O + OH 2.000E+13 0.00 0.
CH3 + O2 = CH3O + O 2.720E+13 0.00 30900.
CH3 + O2 = CH2O + OH 3.800E+10 0.00 9000. ! 3.8
CH3 + CH2O = CH4 + HCO 5.500E+03 2.82 6000.
CH3 + HCO = CH4 + CO 1.200E+14 0.00 0.
CH3 + O = CH2O + H 8.000E+13 0.00 0.
CH3 + OH = CH2 + H2O 7.500E+06 2.00 5000.
CH3 + OH = CH2O + H2 4.000E+12 0.00 0.
CH3 + H = CH4 1.900E+36 -7.00 9050.
CH3 + CH3 = C2H6 1.700D+53 -12.0 19400.
!
CH3 + CH3O = CH4 + CH2O 1.000E+13 0.00 0.
CH3 + CH2OH = CH4 + CH2O 1.000E+12 0.00 0.
CH3 + C2H5 = CH4 + C2H4 2.000E+13 -0.50 0.
CH3 + C2H4 = CH4 + C2H3 6.620E+00 3.70 9482.
CH3 + C2H3 = CH4 + C2H2 1.000E+12 0.00 0.
CH3 + C2H2 = CH4 + C2H 1.800E+11 0.00 17270.
CH3 + CH3 = C2H4 + H2 1.000E+14 0.00 31000.
CH3 + M = CH2 + H + M 1.000E+16 0.00 90600.
CH3 + HCO = CH2 + CH2O 2.000E+14 0.00 0.
!
CH2 + H2 = CH3 + H 5.000E+05 2.00 7230.
CH2 + CH3 = C2H4 + H 4.000E+13 0.00 0.
CH2 + OH = CH + H2O 1.130E+07 2.00 3000.
CH2 + OH = CH2O + H 2.500E+13 0.00 0.
CH2 + CH2 = C2H2 + H2 4.000E+13 0.00 0.
CH2 + HCCO = C2H3 + CO 3.000E+13 0.00 0.
CH2 + O = CO + H + H 5.000E+13 0.00 0.
CH2 + O = HCO + H 8.000E+13 0.00 0.
CH2 + O2 = CO2 + H + H 1.600E+12 0.00 1000.
CH2 + O2 = CH2O + O 5.000E+13 0.00 9000.
CH2 + O2 = CO2 + H2 6.900E+11 0.00 500.
CH2 + O2 = HCO + OH 4.300E+10 0.00 -500.
!
CH2(S)+ CH3 = C2H4 + H 3.000E+13 0.00 -570.
CH2(S)+ H2 = CH3 + H 8.000E+13 0.00 0.
CH2(S)+ CH4 = CH3 + CH3 4.000E+12 0.00 -570.
CH2(S)+ C2H6 = CH3 + C2H5 4.000E+12 0.00 -550.
CH2(S)+ C2H2 = C3H3 + H 3.000E+13 0.00 0.
CH2(S)+ N2 = CH2 + N2 1.500E+13 0.00 600.
CH2(S)+ AR = CH2 + AR 9.000E+12 0.00 600.
CH2(S)+ CO2 = CH2 + CO2 7.000E+12 0.00 0.
CH2(S)+ CO2 = CH2O + CO 1.400E+11 0.00 1000.
CH2(S)+ H2O = CH2 + H2O 3.000E+13 0.00 0.
CH2(S)+ O2 = CO + OH + H 2.800E+12 0.00 -500.
CH2(S)+ O2 = CO + H2O 1.200E+12 0.00 -500.
CH2(S)+ H = CH + H2 3.000E+13 0.00 0.
CH2(S)+ O = CO + H2 3.000E+13 0.00 0.
!
CH2OH + H = CH3 + OH 1.000E+14 0.00 0.
CH3O + H = CH3 + OH 1.000E+14 0.00 0.
CH3O + M = CH2O + H + M 1.000E+14 0.00 25000.
CH2OH + M = CH2O + H + M 1.000E+14 0.00 25000.
CH3O + H = CH2O + H2 2.000E+13 0.00 0.
CH2OH + H = CH2O + H2 2.000E+13 0.00 0.
CH3O + OH = CH2O + H2O 1.000E+13 0.00 0.
CH2OH + OH = CH2O + H2O 1.000E+13 0.00 0.
CH3O + O = CH2O + OH 1.000E+13 0.00 0.
CH2OH + O = CH2O + OH 1.000E+13 0.00 0.
CH3O + O2 = CH2O + HO2 6.300E+10 0.00 2600. ! 6.3
CH2OH + O2 = CH2O + HO2 1.480E+13 0.00 1500.
!CH2 + H = CH + H2 1.000E+18 -1.56 0.
CH + H2 = H + CH2 1.107E+08 1.79 1670.
CH + O2 = HCO + O 6.300E+13 0.00 0.
CH + O = CO + H 5.700E+13 0.00 0.
CH + OH = HCO + H 3.000E+13 0.00 0.
CH + CO2 = HCO + CO 3.400E+12 0.00 690.
CH + H2O = CH2O + H 1.170E+15 -0.75 0.
CH + CH2O = CH2CO + H 9.460E+13 0.00 -515.
CH + C2H2 = C3H2 + H 1.000E+14 0.00 0.
CH + CH2 = C2H2 + H 4.000E+13 0.00 0.
CH + CH3 = C2H3 + H 3.000E+13 0.00 -400.
CH + CH4 = C2H4 + H 3.000E+13 0.00 0.
!
CH2O + OH = HCO + H2O 3.430E+09 1.18 -447.
CH2O + H = HCO + H2 2.190E+08 1.77 3000.
CH2O + M = HCO + H + M 3.310E+16 0.00 81000.
CH2O + O = HCO + OH 1.800E+13 0.00 3080.
CH2O + O2 = HCO + HO2 6.200E+13 0.00 39000.
CH2O + HO2 = HCO + H2O2 1.000E+12 0.00 9000.
CH2O + HO2 = HCOOH + OH 1.000E+13 0.00 14900.
!
HCOOH + H = H + CO2 + H2 3.060E+10 1.00 3200.
HCOOH + O = H + CO2 + OH 5.360E+11 0.60 2900.
HCOOH + OH = H + CO2 + H2O 2.500E+11 0.00 0.
HCOOH + HO2 = H2O2 + CO2 + H 2.500E+11 0.00 0.
HCOOH + CH3 = CH4 + CO2 + H 1.100E-03 4.90 3480.
HCOOH + CH3OCH2 = CH3OCH3 + CO2 + H 1.100E-03 4.90 3480.
!
HCO + OH = H2O + CO 1.000E+14 0.00 0.
!HCO + M = H + CO + M 2.500E+14 0.00 16802.
HCO + H2O = H + CO + H2O 2.244E+18 -1.00 17000.
HCO + M = H + CO + M 1.870E+17 -1.00 17000.
H2/2.00/ H2O/ .00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/
HCO + H = CO + H2 1.190E+13 0.25 0.
HCO + O = CO + OH 3.000E+13 0.00 0.
HCO + O = CO2 + H 3.000E+13 0.00 0.
HCO + O2 = HO2 + CO 3.300E+13 -0.40 0.
HCO + HCO = CH2O + CO 3.000E+13 0.00 0.
HCO + HCO = H2 + CO + CO 3.000E+12 0.00 0.
CO + O + M = CO2 + M 6.170E+14 0.00 3000.
H2/2.00/ O2/6.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/3.50/ C2H6/3.00/ AR/0.50/
CO + OH = CO2 + H 1.510E+07 1.30 -758.
CO + O2 = CO2 + O 1.600E+13 0.00 41000.
HO2 + CO = CO2 + OH 5.800E+13 0.00 22934.
C2H6 + CH3 = C2H5 + CH4 5.500E-01 4.00 8300.
C2H6 + H = C2H5 + H2 5.400E+02 3.50 5210.
C2H6 + O = C2H5 + OH 3.000E+07 2.00 5115.
C2H6 + OH = C2H5 + H2O 8.700E+09 1.05 1810.
C2H4 + H = C2H3 + H2 1.100E+14 0.00 8500.
C2H4 + O = CH3 + HCO 1.600E+09 1.20 746.
C2H4 + OH = C2H3 + H2O 2.020E+13 0.00 5955.
H + C2H4 = C2H5 2.600E+43 -9.25 52580.
C2H5 + H = CH3 + CH3 1.000E+14 0.00 0.
C2H5 + O2 = C2H4 + HO2 8.430E+11 0.00 3875.
C2H2 + O = CH2 + CO 1.020E+07 2.00 1900.
C2H2 + O = HCCO + H 1.020E+07 2.00 1900.
H2 + C2H = C2H2 + H 4.090E+05 2.39 864.
C2H3 = C2H2 + H 4.600E+40 -8.80 46200.
C2H3 + H = C2H2 + H2 4.000E+13 0.00 0.
C2H3 + O = CH2CO + H 3.000E+13 0.00 0.
C2H3 + O2 = CH2O + HCO 4.000E+12 0.00 -250.
C2H3 + O2 = C2H2 + HO2 1.580E+13 0.00 10060.
C2H3 + OH = C2H2 + H2O 5.000E+12 0.00 0.
C2H3 + CH2 = C2H2 + CH3 3.000E+13 0.00 0.
C2H3 + C2H = C2H2 + C2H2 3.000E+13 0.00 0.
C2H3 + CH = CH2 + C2H2 5.000E+13 0.00 0.
OH + C2H2 = C2H + H2O 3.370E+07 2.00 14000.
OH + C2H2 = HCCOH + H 5.040E+05 2.30 13500.
OH + C2H2 = CH2CO + H 2.180E-04 4.50 -1000.
OH + C2H2 = CH3 + CO 4.830E-04 4.00 -2000.
C2H2 + O = C2H + OH 3.160E+15 -0.60 15000.
HCCOH + H = CH2CO + H 1.000E+13 0.00 0.
!
CH2CO + O = CO2 + CH2 1.750E+12 0.00 1350.
CH2CO + O = HCO + HCO 2.300E+13 0.00 2300.
CH2CO + H = CH3 + CO 1.130E+13 0.00 3428.
CH2CO + H = HCCO + H2 5.000E+13 0.00 8000.
CH2CO + O = HCCO + OH 1.000E+13 0.00 8000.
CH2CO + OH = HCCO + H2O 7.500E+12 0.00 2000.
CH2CO + M = CH2 + CO + M 3.000E+14 0.00 70980.
C2H + O2 = CO + CO + H 5.000E+13 0.00 1500.
HCCO + H = CH2(S)+ CO 1.000E+14 0.00 0.
HCCO + O = H + CO + CO 1.000E+14 0.00 0.
HCCO + O2 = OH + CO + CO 1.600E+12 0.00 854.
HCCO + CH = C2H2 + CO 5.000E+13 0.00 0.
HCCO + HCCO = C2H2 + CO + CO 1.600E+12 0.00 854.
C2H + O = CH + CO 5.000E+13 0.00 0.
C2H + OH = HCCO + H 2.000E+13 0.00 0.
C3H2 + O2 = HCCO + HCO 1.000E+13 0.00 0.
C3H3 + O2 = CH2CO + HCO 3.000E+10 0.00 2868.
C3H3 + O = CH2O + C2H 2.000E+13 0.00 0.
C3H3 + OH = C3H2 + H2O 2.000E+13 0.00 0.
C2H2 + O2 = HCCO + OH 2.000E+08 1.50 30100.
C2H2 + M = C2H + H + M 4.200E+16 0.00 107000.
C2H4 + M = C2H2 + H2 + M 1.500E+15 0.00 55800.
H2 + O2 = OH + OH 1.700E+13 0.00 47780.
H2 + OH = H2O + H 1.170E+09 1.30 3626.
O + OH = O2 + H 8.000E+14 -0.60 0.
!H + O2 = O + OH 8.300E+13 0.00 14413.
O + H2 = OH + H 5.060E+04 2.67 6290.
H + O2 + M = HO2 + M 3.610E+17 -0.72 0.
H2O/21./ CO2/5.0/ H2/3.3/ CO/2.0/ AR/0.0/
H + O2 + AR = HO2 + AR 7.000E+17 -0.80 0.
OH + HO2 = H2O + O2 2.890E+13 0.00 497.
H + HO2 = OH + OH 1.700E+14 0.00 874.
O + HO2 = O2 + OH 1.400E+13 0.00 1073.
OH + OH = O + H2O 6.000E+08 1.30 0.
H + H + M = H2 + M 1.000E+18 -1.00 0.
H2O/0./ H/2./ H2/0./ CO2/0./ AR/0.5/
H + H + H2 = H2 + H2 9.200E+16 -0.60 0.
H + H + H2O = H2 + H2O 6.000E+19 -1.25 0.
H + H + CO2 = H2 + CO2 5.490E+20 -2.00 0.
H + OH + M = H2O + M 1.600E+22 -2.00 0.
H2/0.73/ H2O/3.65/ CH4/2.00/ C2H6/3.00/ AR/0.38/
H + O + M = OH + M 5.000E+17 -1.00 0.
H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/0.50/
O + O + M = O2 + M 1.200E+17 -1.00 0.
H2/ 2.40/ H2O/15.40/ CH4/ 2.00/ CO/ 1.75/ CO2/ 3.60/ C2H6/ 3.00/ AR/ 0.50/
H + HO2 = H2 + O2 4.280E+13 0.00 1411.
HO2 + HO2 = H2O2 + O2 3.020E+12 0.00 1390. ! 1.300E+11 .000 -1630.00
H2O2 + M = OH + OH + M 1.200E+17 0.00 45500.
AR/0.5/
H2O2 + H = HO2 + H2 4.790E+13 0.00 7950.
H2O2 + OH = H2O + HO2 1.000E+13 0.00 1800.
H + HO2 = O + H2O 3.100E+10 0.00 1720.
O + OH + M = HO2 + M 6.400E+15 0.00 0.
AR/0.5/
H2O2 + H = H2O + OH 1.000E+13 0.00 3590.
H2O2 + O = H2O + O2 8.400E+11 0.00 4260.
H2O2 + O = OH + HO2 2.000E+13 0.00 5900.
H2 + HO2 = H2O + OH 6.500E+11 0.00 18800.
C2H6 + CH = H + C3H6 1.100E+14 0.00 -263.
C3H6 + O = CH3CO + CH3 5.000E+12 0.00 454.
C3H6 + O = C2H5 + HCO 1.500E+12 0.00 0.
CH3CO + H = CH2CO + H2 2.000E+13 0.00 0.
CH3CO + O = CH3 + CO2 2.000E+13 0.00 0.
CH3CO + CH3 = C2H6 + CO 5.000E+13 0.00 0.
CH3CO = CH3 + CO 2.300E+26 -5.00 17970.
!C2H3 + CH3 + M = C3H6 + M 5.000E+10 0.00 0.
CH3 + C2H3 = C3H6 2.000E+13 0.00 0.
CH3 + C2H2 = C3H5 6.000E+11 0.00 16000.
C2H5 + C3H5 = C2H4 + C3H6 4.000E+11 0.00 0.
C2H3 + C3H6 = C2H4 + C3H5 3.160E+12 0.00 31000.
C3H5 + H = C3H6 2.000E+13 0.00 0.
C2H6 + O2 = C2H5 + HO2 1.000E+13 0.00 48960.
C2H4 + O2 = C2H3 + HO2 4.200E+13 0.00 57590.
C2H5 + HO2 = C2H4 + H2O2 3.000E+11 0.00 0.
!
O3 + M = O2 + O + M 3.000E+14 0.00 22180.
O3 + O = O2 + O2 1.000E+13 0.00 4570.
O3 + H = O2 + OH 1.000E+14 0.00 890.
O3 + OH = HO2 + O2 1.000E+12 0.00 1848.
O3 + HO2 = OH + O2 + O2 1.000E+13 0.00 11000.
!
CH3OH = CH2OH + H 3.700E+15 0.00 96700.
CH3OH = CH3O + H 4.500E+15 0.00 96700.
CH3OH = CH3 + OH 3.800E+15 0.00 91700.
CH3OH + O2 = CH2OH + HO2 2.050E+13 0.0 44906.
CH3OH + H = CH2OH + H2 1.700E+07 2.10 4870.
CH3OH + H = CH3O + H2 4.200E+06 2.10 4870.
CH3OH + O = OH + CH2OH 3.880E+05 2.50 3100.
CH3OH + O = OH + CH3O 1.300E+05 2.50 5000.
CH3OH + OH = CH2OH + H2O 1.440E+06 2.00 -840.
CH3OH + OH = CH3O + H2O 6.300E+06 2.00 1500.
CH3OH + HO2 = CH2OH + H2O2 5.200E+13 0.00 19360.
CH3OH + CH3 = CH2OH + CH4 3.000E+07 1.50 9940.
CH3OH + CH3 = CH3O + CH4 1.000E+07 1.50 9940.
CH3OH + CH3O = CH3OH + CH2OH 3.00E+11 0.0 4000.
CH3O + CH3O = CH3OH + CH2O 1.200E+12 0.0 0.
CH2OH + CH2OH = CH3OH + CH2O 1.200E+12 0.0 0.
CH2OH + HCO = CH3OH + CO 1.200E+12 0.0 0.
!
C2H5OH = CH3 + CH2OH 3.020E+15 0.00 80600.
C2H5OH = C2H5 + OH 5.000E+16 0.00 91210.
C2H5OH = C2H4 + H2O 1.000E+14 0.00 76706.
C2H5OH + O2 = CH3CHOH + HO2 4.000E+13 0.00 51000.
C2H5OH + OH = CH3CHOH + H2O 8.000E+06 1.78 -1540.
C2H5OH + H = C2H5 + H2O 2.400E+10 0.00 0.
C2H5OH + H = CH3CHOH + H2 4.360E+12 0.00 4570.
C2H5OH + O = CH3CHOH + OH 6.000E+05 2.46 1850.
C2H5OH + HO2 = CH3CHOH + H2O2 6.310E+12 0.00 15000.
C2H5OH + CH3 = CH3CHOH + CH4 4.000E+12 0.00 9690.
C2H5OH + CH3O = CH3CHOH + CH3OH 2.000E+11 0.00 7000.
C2H5OH + CH2O = CH3CHOH + CH3O 1.500E+12 0.00 79500.
C2H5OH + C2H5 = CH3CHOH + C2H6 4.000E+13 0.00 10000.
C2H5OH + CH2OH = CH3CHOH + CH3OH 4.000E+11 0.00 9700.
!
CH3CHOH + M = CH3HCO + H + M 5.000E+13 0.00 21850.
CH3CHOH + O = CH3HCO + OH 9.040E+13 0.00 0.
CH3CHOH + OH = CH3HCO + H2O 1.500E+13 0.00 0.
CH3CHOH + H = CH3HCO + H2 2.000E+13 0.00 0.
CH3CHOH + O2 = CH3HCO + HO2 8.400E+15 -1.20 0.
CH3CHOH + HO2 = CH3HCO + OH + OH 1.000E+13 0.00 0.
!
CH3HCO = CH3 + HCO 7.080E+15 0.00 81760.
CH3HCO = CH3CO + H 5.000E+14 0.00 87860.
CH3HCO + O2 = CH3CO + HO2 2.000E+13 0.50 42200.
CH3HCO + H = CH3CO + H2 4.000E+13 0.00 4200.
CH3HCO + OH = CH3CO + H2O 1.000E+13 0.00 0.
CH3HCO + O = CH3CO + OH 5.000E+12 0.00 1790.
CH3HCO + CH3 = CH3CO + CH4 1.700E+12 0.00 8430.
CH3HCO + HO2 = CH3CO + H2O2 1.700E+12 0.00 10700.
C2H2 + C2H2 = C4H3 + H 2.000E+12 0.00 45900.
C4H3 + M = C4H2 + H + M 1.000E+16 0.00 59700.
C4H2 + O = C3H2 + CO 1.200E+12 0.00 0.
C2H2 + C2H = C4H2 + H 4.000E+13 0.00 0.
C3H4 + O = CH2O + C2H2 1.000E+12 0.00 0.
C3H4 + OH = CH2O + C2H3 1.000E+12 0.00 0.
C3H4 + O = HCO + C2H3 1.000E+12 0.00 0.
C3H4 + OH = HCO + C2H4 1.000E+12 0.00 0.
C3H6 + O = CH2O + C2H4 5.900E+13 0.00 0.
C3H6 + OH = CH3 + CH3HCO 7.080E+12 0.00 0.
C3H6 + OH = C3H5 + H2O 4.000E+12 0.00 0.
C3H6 + OH = C2H5 + CH2O 8.000E+12 0.00 0.
C3H6 + H = C3H5 + H2 5.000E+12 0.00 1500.
C3H6 + CH3 = C3H5 + CH4 1.000E+11 0.00 8500.
C3H6 + C2H5 = C3H5 + C2H6 1.000E+11 0.00 9200.
C3H5 = C3H4 + H 4.000E+13 0.00 70000.
C3H5 + O2 = C3H4 + HO2 6.020E+11 0.00 10000.
C3H5 + H = C3H4 + H2 1.000E+13 0.00 0.
C3H5 + CH3 = C3H4 + CH4 1.000E+12 0.00 0.
!
CH3 + O2 = CH3O2 9.020E+58 -15.0 17204.
CH3O2 + HO2 = CH4O2 + O2 4.630E+10 0.0 -2583.
CH3O2 + CH4 = CH4O2 + CH3 1.810E+11 0.0 18480.
CH3O2 + CH3 = CH3O + CH3O 2.410E+13 0.0 0.
CH3O2 + O = CH3O + O2 3.610E+13 0.0 0.
CH3O2 + H = CH3O + OH 9.640E+13 0.0 0.
CH3O2 + OH = CH3OH + O2 6.030E+13 0.0 0.
CH3O2 + CH2O = CH4O2 + HCO 1.000E+12 0.0 11665.
CH3O2 + CH3OH = CH4O2 + CH2OH 1.800E+12 0.0 13712.
CH3O2 + C2H6 = CH4O2 + C2H5 2.950E+11 0.0 14944.
CH4O2 = CH3O + OH 4.000E+15 0.0 42924.
CH4O2 + OH = CH3O2 + H2O 8.200E+11 0.0 -258.
!
CH3OCH3 + H = CH3OCH2 + H2 8.400E+07 2.00 7700.
CH3OCH3 + O = CH3OCH2 + OH 6.540E+06 2.40 5500.
CH3OCH3 + OH = CH3OCH2 + H2O 6.560E+09 1.00 1590.
CH3OCH3 + HO2 = CH3OCH2 + H2O2 4.200E+12 0.00 13875.
CH3OCH3 + CH3O = CH3OCH2 + CH3OH 2.600E+12 0.00 7000.
CH3OCH3 + O2 = CH3OCH2 + HO2 4.100E+13 0.00 44906.
CH3OCH3 + CH3 = CH3OCH2 + CH4 1.950E+12 0.00 11600.
CH3OCH3 = CH3+CH3O 2.620E+16 0.0 82202.
CH3OCH3 = CH3OCH2 + H 2.588E+16 .265 104300.
CH3OCH2 = CH3+CH2O 3.300E+14 0.0 31000. ! 4.3
CH3OCH2 + CH3O = CH3OCH3 + CH2O 6.030E+13 0.0 0.
CH3OCH2 + O2 = CH3OCH2OO 2.000E+42 -10.3 6080.
CH3OCH2 + O2 = HCOOCH3 + OH 5.480E+13 0.0 8370.
CH3OCH2 + HO2 = CH2O + CH3O + OH 3.000E+12 0.0 0.
CH3OCH2 + H2O2 = CH2O + CH3O + H2O 3.000E+12 0.0 0.
CH3OCH2OO + CH3OCH3 = CH3OCH2OOH+CH3OCH2 1.200E+12 0.0 14000. ! 2.2
CH3OCH2OOH = CH3OCH2O + OH 8.200E+08 3.65 34000.
CH3OCH2O = CH3O + CH2O 4.000E+14 0.0 15600.
CH3OCH2O + O2 = HCOOCH3 + HO2 2.000E+12 0.0 6000.
CH3OCH2OOH = CH2O + CH2O + H2O 8.800E+12 0.0 16000.
CH3OCH3 + CH3O2 = CH3OCH2 + CH4O2 1.500E+13 0.0 13700. ! 2.0
CH3O2 + CH3O2 = CH3O + CH3O + O2 6.300E+10 0.0 -600.
CH3O2 + CH3O2 = CH3OCH2O + HO2 6.300E+10 0.0 -600.
! new termination reactions
CH3OCH2O + CH3 = CH4 + HCOOCH3 6.000E+13 0.0 0.
CH3OCH2O + H = H2 + HCOOCH3 6.000E+13 0.0 0.
CH3OCH2O + HO2 = H2O2 + HCOOCH3 6.000E+13 0.0 0.
CH3OCH2O + O = OH + HCOOCH3 6.000E+13 0.0 0.
CH3OCH2O + OH = H2O + HCOOCH3 6.000E+13 0.0 0.
CH3OCH2O + C2H5 = C2H6 + HCOOCH3 6.000E+13 0.0 0.
CH3OCH2O + CH3OCH2 = CH3OCH3 + HCOOCH3 6.000E+13 0.0 0.
CH3OCH2O + CH3O = CH3OH + HCOOCH3 6.000E+13 0.0 0.
HCOOCH3 = CH4 + CO2 6.000E+09 0.0 48520.
HCOOCH3 = CH3O + HCO 6.200E+09 1.61 102580.
HCOOCH3 + O = CH3OCO + OH 5.360E+11 0.6 2900.
HCOOCH3 + H = CH3OCO + H2 1.620E+08 1.6 1980.
HCOOCH3 + OH = CH3OCO + H2O 1.200E+09 1.3 -280.
HCOOCH3 + HO2 = CH3OCO + H2O2 4.000E+12 0.0 12060.
HCOOCH3 + CH3 = CH3OCO + CH4 9.900E-03 4.5 3420.
HCOOCH3 + CH3O = CH3OCO + CH3OH 1.020E+11 0.0 2980.
HCOOCH3 + CH3OCH2 = CH3OCO + CH3OCH3 1.100E-03 4.9 3480.
CH3OCO = CO2 + CH3 1.000E+11 1.1 860.
!
H + CH = C + H2 1.100E+14 0.0 0.
C + O2 = O + CO 5.800E+13 0.0 576.
C + CH2 = H + C2H 5.000E+13 0.0 0.
C + CH3 = H + C2H2 5.000E+13 0.0 0.
END

533
applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_c7h16
View File

@ -1,533 +0,0 @@
ELEMENTS
H O C N AR
END
SPECIE
C7H16 O2 N2 CO CO2
H H2 O H2O OH
HO2 H2O2 CH4 CH3 CH3O
CH2 CH2O CH3O2 CH4O2 HCO HCCO CH2CO
C7H15-1 C7H15-2 C7H15O2 C7H14O2H C7H14O2HO2
C7KET21 C6H12 C5H11CHO C5H11CO C5H11
C4H9 C4H C4H2 C4H3
C3H7 C3H6 C3H5 C3H4 C3H3 C3H2
C2H C2H2 C2H3 C2H4 C2H5 C2H6
N2O NO N
C3H8 CH2CHO CH3CHO CH3CO CH2OH
!A1 A1- C(S)
AR
THERMO ! 1995 NASA COMPILATION + CURRAN DATA
CH3O2 L 1/84C 1H 3O 2N 0G 300.000 5000.00 1
0.66812963E 01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
0.52621851E 03-0.99423847E 01 0.20986490E 01 0.15786357E-01 0.75683261E-07 3
-0.11274587E-07 0.56665133E-11 0.20695879E 04 0.15007068E 02 4
CH4O2 T11/96C 1H 4O 2 0G 200.000 6000.000 1
6.86907934E+00 1.00840883E-02-3.66515947E-06 5.96302681E-10-3.58894156E-14 2
-1.98402231E+04-1.24951986E+01 3.72654981E+00 7.51851847E-03 2.35970425E-05 3
-3.52694507E-08 1.42757614E-11-1.83982011E+04 6.52443362E+00-1.68074366E+04 4
C2H5OH L 8/88C 2H 6O 1N 0G 200.000 6000.000 1
0.65624365E+01 0.15204222E-01-0.53896795E-05 0.86225011E-09-0.51289787E-13 2
-0.31525621E+05-0.94730202E+01 0.48586957E+01-0.37401726E-02 0.69555378E-04 3
-0.88654796E-07 0.35168835E-10-0.29996132E+05 0.48018545E+01-0.28257829E+05 4
C2H3 T06/93C 2H 3 0 0G 200.000 6000.000 1
0.47025310E+01 0.72642283E-02-0.25801992E-05 0.41319944E-09-0.24591492E-13 2
0.34029675E+05-0.14293714E+01 0.30019602E+01 0.30304354E-02 0.24444315E-04 3
-0.35810242E-07 0.15108700E-10 0.34868173E+05 0.93304495E+01 0.36050230E+05 4
C3H3 BUR 92C 3H 3O 0N 0G 200.000 6000.000 1
6.64175821E+00 8.08587428E-03-2.84787887E-06 4.53525977E-10-2.68879815E-14 2
3.89793699E+04-1.04004255E+01 1.82840766E+00 2.37839036E-02-2.19228176E-05 3
1.00067444E-08-1.38984644E-12 4.01863058E+04 1.38447957E+01 4.16139977E+04 4
C3H4 L12/92C 3H 4O 0N 0G 200.000 6000.000 1
6.31694869E+00 1.11336262E-02-3.96289018E-06 6.35633775E-10-3.78749885E-14 2
2.01174617E+04-1.09718862E+01 2.61307487E+00 1.21223371E-02 1.85405400E-05 3
-3.45258475E-08 1.53353389E-11 2.15415642E+04 1.02503319E+01 2.29622672E+04 4
C3H5 BUR 92C 3H 5O 0N 0G 200.000 6000.000 1
6.54761132E+00 1.33152246E-02-4.78333100E-06 7.71949814E-10-4.61930808E-14 2
1.72714707E+04-9.27486841E+00 3.78794693E+00 9.48414335E-03 2.42343368E-05 3
-3.65604010E-08 1.48592356E-11 1.86261218E+04 7.82822499E+00 2.03259122E+04 4
C3H6 120186C 3H 6 G 0300.00 5000.00 1000.00 1
0.06732257E+02 0.01490834E+00-0.04949899E-04 0.07212022E-08-0.03766204E-12 2
-0.09235703E+04-0.01331335E+03 0.01493307E+02 0.02092518E+00 0.04486794E-04 3
-0.01668912E-06 0.07158146E-10 0.01074826E+05 0.01614534E+03 4
C4H2 L 2/93C 4H 2O 0N 0G 200.000 6000.000 1
8.66704895E+00 6.71505191E-03-2.35355060E-06 3.73635366E-10-2.21054043E-14 2
5.10016978E+04-2.18002050E+01-4.07132393E-01 5.20775143E-02-9.21138340E-05 3
8.08657403E-08-2.70422080E-11 5.25957367E+04 2.03240223E+01 5.41222513E+04 4
C4H3 L 9/89C 4H 3O 0N 0G 298.150 6000.000 1
0.84762079E+01 0.88782327E-02-0.30328412E-05 0.47358302E-09-0.27716627E-13 2
0.54756540E+05-0.17170551E+02 0.24173247E+01 0.24104782E-01-0.12813470E-04 3
-0.28606237E-08 0.39194527E-11 0.56506476E+05 0.14471107E+02 0.58181574E+05 4
C4H4 L 9/89C 4H 4O 0N 0G 200.000 6000.000 1
0.82948104E+01 0.11994381E-01-0.42624075E-05 0.68306978E-09-0.40680631E-13 2
0.33550866E+05-0.18426826E+02 0.14049083E+01 0.29531073E-01-0.15596302E-04 3
-0.32142002E-08 0.45436937E-11 0.35507830E+05 0.17450183E+02 0.37097268E+05 4
CH3OCH3 L12/92C 2H 6O 1N 0G 200.000 6000.000 1
5.64844183E+00 1.63381899E-02-5.86802367E-06 9.46836869E-10-5.66504738E-14 2
-2.51074690E+04-5.96264939E+00 5.30562279E+00-2.14254272E-03 5.30873244E-05 3
-6.23147136E-08 2.30731036E-11-2.39866295E+04 7.13264209E-01-2.21432171E+04 4
CH3OCH2 T11/82C 2H 5O 1N 0G 300.000 5000.0 1
0.65567484E+01 0.12180723E-01-0.40628420E-05 0.59495830E-09-0.31276214E-13 2
-0.40282515E+04-0.81302772E+01 0.35953999E+01 0.13379216E-01 0.53914910E-05 3
-0.10947097E-07 0.38193320E-11-0.27021975E+04 0.92850365E+01 4
CH3OCH2OOH Jan96 C 2H 6O 3N 0G 300.00 3000.00 1000. 1
7.66981055E+00 2.35536769E-02-1.15031834E-05 2.84464629E-09-2.79520304E-13 2
-3.96295537E+04-1.39224857E+01 3.05518950E-02 4.90560834E-02-4.43030986E-05 3
2.21548123E-08-4.66587486E-12-3.80282020E+04 2.43189660E+01 4
CH3OCH2OO Jan96 C 2H 5O 3N 0G 300.00 3000.00 1000. 1
8.06217488E+00 2.05153644E-02-1.00803231E-05 2.50244952E-09-2.46544863E-13 2
-2.19951127E+04-1.59505736E+01 4.74967287E-01 4.68199208E-02-4.55041928E-05 3
2.44627078E-08-5.51108848E-12-2.04517448E+04 2.17234867E+01 4
CH3OCH2O Jan96 C 2H 5O 2N 0G 300.00 3000.00 1000. 1
5.98450336E+00 1.93302785E-02-9.44575204E-06 2.33651645E-09-2.29626013E-13 2
-2.12266609E+04-7.95685946E+00-1.22386711E-01 3.94270827E-02-3.47990406E-05 3
1.69073231E-08-3.44801024E-12-1.99352987E+04 2.26909497E+01 4
CH3OCHO Jan96 C 2H 4O 2N 0G 300.00 3000.00 1000. 1
5.46071782E+00 1.70659166E-02-8.38236448E-06 2.08015776E-09-2.04870146E-13 2
-4.58756417E+04-3.33482124E+00-4.40150386E-01 3.69251939E-02-3.41468832E-05 3
1.73800460E-08-3.70831952E-12-4.46516329E+04 2.61277510E+01 4
HCOOCH3 C 2H 4O 2N 0G 300.000 5000.000 1
0.83982000E 01 0.11267000E-01-0.41325000E-05 0.72745000E-09-0.48932000E-13 2
-0.48328000E 05-0.18820000E 02-0.15323000E 01 0.43051000E-01-0.45098000E-04 3
0.26064000E-07-0.63345000E-11-0.45711000E 05 0.31603000E 02 4
HCOOH L 8/88C 1H 2O 2N 0G 200.000 6000.000 1
5.69579404E+00 7.72237361E-03-3.18037808E-06 5.57949466E-10-3.52618226E-14 2
-4.81599723E+04-6.01680080E+00 3.23262453E+00 2.81129582E-03 2.44034975E-05 3
-3.17501066E-08 1.20631660E-11-4.67785606E+04 9.86205647E+00-4.55312460E+04 4
COOCH3 C 2H 3O 2 0G 300.000 5000.000 1
0.76505900E 01 0.99082000E-02-0.37559700E-05 0.67845900E-09-0.46572100E-13 2
-0.24947700E 05-0.12937300E 02-0.89045900E 00 0.38842600E-01-0.42829300E-04 3
0.25682800E-07-0.63729700E-11-0.22835200E 05 0.29911300E 02 4
C7H16 P10/95C 7H 16 0 0G 300.000 5000.000 1391.000 1
2.22148969e+01 3.47675750e-02-1.18407129e-05 1.83298478e-09-1.06130266e-13 2
-3.42760081e+04-9.23040196e+01-1.26836187e+00 8.54355820e-02-5.25346786e-05 3
1.62945721e-08-2.02394925e-12-2.56586565e+04 3.53732912e+01 4
C7H15-1 2/10/95 C 7H 15 0 0G 300.000 5000.000 1391.000 1
2.17940709e+01 3.26280243e-02-1.11138244e-05 1.72067148e-09-9.96366999e-14 2
-9.20938221e+03-8.64954311e+01-4.99570406e-01 8.08826467e-02-5.00532754e-05 3
1.56549308e-08-1.96616227e-12-1.04590223e+03 3.46564011e+01 4
C7H15-2 2/10/95 C 7H 15 0 0G 300.000 5000.000 1391.000 1
2.16368842e+01 3.23324804e-02-1.09273807e-05 1.68357060e-09-9.71774091e-14 2
-1.05873616e+04-8.52209653e+01-3.79155767e-02 7.56726570e-02-4.07473634e-05 3
9.32678943e-09-4.92360745e-13-2.35605303e+03 3.37321506e+01 4
C7H15O2 7/23/98 C 7.H 15.O 2. 0.G 300.000 5000.000 1
2.49023689e+01 3.50716920e-02-1.20440306e-05 1.87464822e-09-1.08947791e-13 2
-2.82976050e+04-9.73923542e+01 2.37499334e+00 8.34651906e-02-5.13897320e-05 3
1.64217662e-08-2.19505216e-12-1.99237961e+04 2.53067342e+01 4
C7H14O2H 7/23/98 C 7.H 15.O 2. 0.G 300.000 5000.000 1
2.70028807e+01 3.22272216e-02-1.09366516e-05 1.68977918e-09-9.77321946e-14 2
-2.27229231e+04-1.06332170e+02 2.49875186e+00 8.32443344e-02-4.85933986e-05 3
1.28927950e-08-1.09878385e-12-1.36530733e+04 2.73754005e+01 4
C7H14O2HO2 7/23/98 C 7.H 15.O 4. 0.G 300.000 5000.000 1
3.23937788e+01 3.33911097e-02-1.15672104e-05 1.81146023e-09-1.05739941e-13 2
-4.36321048e+04-1.32597311e+02 3.84933185e+00 9.45955097e-02-5.94934121e-05 3
1.78836457e-08-2.00618696e-12-3.32051631e+04 2.25912030e+01 4
C7KET12 7/23/98 C 7.H 14.O 3. 0.G 300.000 5000.000 1
2.97472906e+01 3.06622294e-02-1.05563590e-05 1.64627343e-09-9.58171675e-14 2
-5.66856828e+04-1.22432490e+02 5.82433697e-01 1.01207869e-01-7.65855996e-05 3
3.00738606e-08-4.82902792e-12-4.68054419e+04 3.33331449e+01 4
C7KET21 2/10/95 C 7.H 14.O 3. 0.G 300.000 5000.000 1382.000 1
2.80512936e+01 3.27356029e-02-1.14107044e-05 1.79404506e-09-1.05002142e-13 2
-5.89640173e+04-1.11392338e+02 4.19023030e+00 8.43118237e-02-5.44315814e-05 3
1.85837721e-08-2.72768938e-12-5.00570382e+04 1.85783455e+01 4
C6H12 2/14/95 C 6.H 12.O 0. 0.G 300.000 5000.000 1
1.78337529e+01 2.67377658e-02-9.10036773e-06 1.40819768e-09-8.15124244e-14 2
-1.42062860e+04-6.83818851e+01-1.35275205e+00 6.98655426e-02-4.59408022e-05 3
1.56967343e-08-2.21296175e-12-7.34368617e+03 3.53120691e+01 4
C5H11CHO 2/29/96 C 6H 12O 1 0G 300.000 5000.000 1
1.98891043e+01 2.71869340e-02-9.27391515e-06 1.43744158e-09-8.33090761e-14 2
-3.97523444e+04-7.60741671e+01 1.37517192e+00 6.65669689e-02-4.04423050e-05 3
1.23836270e-08-1.52905857e-12-3.28740986e+04 2.48343934e+01 4
C5H11CO 2/29/96 C 6.H 11.O 1. 0.G 300.000 5000.000 1
1.94783812e+01 2.50466029e-02-8.54861346e-06 1.32557944e-09-7.68503296e-14 2
-2.07923937e+04-7.21995578e+01 2.14479069e+00 6.17863563e-02-3.74134690e-05 3
1.13283795e-08-1.36917698e-12-1.43451172e+04 2.23128045e+01 4
C5H11 T03/97C 5.H 11. 0. 0.G 298.150 5000.000 1
1.13324106E+01 3.03659897E-02-1.13934480E-05 1.99539733E-09-1.32825012E-13 2
-5.95299959E+03-3.13564905E+01 3.57867617E+00 3.04236365E-02 3.27768270E-05 3
-5.86453147E-08 2.39315107E-11-2.60420265E+03 1.42591121E+01 6.68760000E+03 4
C4H9 P10/84C 4.H 9. 0. 0.G 200.000 6000.000 1
9.43040607E+00 2.34271349E-02-8.53599182E-06 1.39748355E-09-8.44057456E-14 2
2.14214862E+03-2.42207994E+01 3.54885235E+00 1.78747638E-02 5.00782825E-05 3
-7.94475071E-08 3.35802354E-11 4.74011588E+03 1.11849382E+01 6.89397210E+03 4
C3H7 N-L 9/84C 3H 7 0 0G 300.000 5000.000 1
0.77026987E 01 0.16044203E-01-0.52833220E-05 0.76298590E-09-0.39392284E-13 2
0.82984336E 04-0.15480180E 02 0.10515518E 01 0.25991980E-01 0.23800540E-05 3
-0.19609569E-07 0.93732470E-11 0.10631863E 05 0.21122559E 02 0.12087447E 05 4
C2H2 L 1/91C 2.H 2. 0. 0.G 200.000 6000.000 1
4.65878504E+00 4.88396547E-03-1.60828775E-06 2.46974226E-10-1.38605680E-14 2
2.57594044E+04-3.99834772E+00 8.08681094E-01 2.33615629E-02-3.55171815E-05 3
2.80152437E-08-8.50072974E-12 2.64289807E+04 1.39397051E+01 2.74459950E+04 4
C2H4O L 8/88C 2H 4O 1 0G 200.000 6000.000 1
0.54887641E+01 0.12046190E-01-0.43336931E-05 0.70028311E-09-0.41949088E-13 2
-0.91804251E+04-0.70799605E+01 0.37590532E+01-0.94412180E-02 0.80309721E-04 3
-0.10080788E-06 0.40039921E-10-0.75608143E+04 0.78497475E+01-0.63304657E+04 4
A1 MF /94C 6H 6 0 0G 300.000 4000.000 1
0.17246994E+02 0.38420164E-02 0.82776232E-05-0.48961120E-08 0.76064545E-12 2
0.26646055E+04-0.71945175E+02-0.48998680E+01 0.59806932E-01-0.36710087E-04 3
0.32740399E-08 0.37600886E-11 0.91824570E+04 0.44095642E+02 4
A1- MF /94C 6H 5 0 0G 300.000 4000.000 1
0.14493439E+02 0.75712688E-02 0.37894542E-05-0.30769500E-08 0.51347820E-12 2
0.33189977E+05-0.54288940E+02-0.49076147E+01 0.59790771E-01-0.45639827E-04 3
0.14964993E-07-0.91767826E-12 0.38733410E+05 0.46567780E+02 4
CH3CHO L 8/88C 2H 4O 1 G 200.000 6000.000 1000.000 1
0.54041108E+01 0.11723059E-01-0.42263137E-05 0.68372451E-09-0.40984863E-13 2
-0.22593122E+05-0.34807917E+01 0.47294595E+01-0.31932858E-02 0.47534921E-04 3
-0.57458611E-07 0.21931112E-10-0.21572878E+05 0.41030159E+01 4
CH2CHO SAND86O 1H 3C 2 G 300.000 5000.000 1000.000 1
0.05975670E+02 0.08130591E-01-0.02743624E-04 0.04070304E-08-0.02176017E-12 2
0.04903218E+04-0.05045251E+02 0.03409062E+02 0.10738574E-01 0.01891492E-04 3
-0.07158583E-07 0.02867385E-10 0.15214766E+04 0.09558290E+02 4
END
REACTIONS
C7H16 + O2 = C7H15-1 + HO2 2.500E+13 0.0 48810.0! 1
C7H16 + O2 = C7H15-2 + HO2 2.800E+14 0.0 47180.0! 2
C7H16 + H = C7H15-1 + H2 5.600E+07 2.0 7667.0! 3
C7H16 + H = C7H15-2 + H2 4.380E+07 2.0 4750.0! 4
C7H16 + OH = C7H15-1 + H2O 8.600E+09 1.10 1815.0! 5
C7H16 + OH = C7H15-2 + H2O 4.800E+09 1.30 690.5! 6
C7H16 + HO2 = C7H15-1 + H2O2 8.000E+12 0.0 19300.0! 7
C7H16 + HO2 = C7H15-2 + H2O2 1.000E+13 0.0 16950.0! 8
C7H16 + CH3 = C7H15-1 + CH4 1.300E+12 0.0 1.160E+4! 9
C7H16 + CH3 = C7H15-2 + CH4 8.000E+11 0.0 9.500E+3! 10
C7H16 = C7H15-1 + H 3.972E+19 -0.95 1.032E+5! 11
C7H16 = C7H15-2 + H 1.248E+21 -1.34 1.007E+5! 12
C7H16 = C4H9 + C3H7 2.000E+16 0.0 80710.0! 13
!
C7H15-1 + O2 = C7H15O2 2.000E+12 0.0 0.0! 14
C7H15-2 + O2 = C7H15O2 2.000E+12 0.0 0.0! 15
C7H15O2 = C7H14O2H 6.000E+11 0.0 20380.0! 16
C7H14O2H + O2 = C7H14O2HO2 2.340E+11 0.0 0.0! 17
C7H14O2HO2 = C7KET21 + OH 2.965E+13 0.0 2.670E+4! 18
C7KET21 = C5H11CO + CH2O + OH 1.000E+16 0.0 4.240E+4! 19
C5H11CHO + O2 = C5H11CO + HO2 2.000E+13 0.5 4.220E+4! 20
C5H11CHO + OH = C5H11CO + H2O 1.000E+13 0.0 0.000E+0! 21
C5H11CHO + H = C5H11CO + H2 4.000E+13 0.0 4.200E+3! 22
C5H11CHO + O = C5H11CO + OH 5.000E+12 0.0 1.790E+3! 23
C5H11CHO + HO2 = C5H11CO + H2O2 2.800E+12 0.0 1.360E+4! 24
C5H11CHO + CH3 = C5H11CO + CH4 1.700E+12 0.0 8.440E+3! 25
C5H11CHO + CH3O2 = C5H11CO + CH4O2 1.000E+12 0.0 9.500E+3! 26
C5H11CO = C5H11 + CO 1.000E+11 0.0 9.600E+3! 27
C5H11 = C2H5 + C3H6 3.200E+13 0.0 28300.0! 28
C7H15-1 = C2H4 + C5H11 2.500E+13 0.0 28810.0! 29
C7H15-2 = CH3 + C6H12 3.000E+13 0.0 29800.0! 30
C6H12 = C3H7 + C3H5 1.000E+16 0.0 68000.0! 31
C7H15-2 = C4H9 + C3H6 1.200E+13 0.0 29600.0! 32
C7H15-1 = C7H15-2 2.000E+11 0.0 18100.0! 33
C4H9 = C3H6 + CH3 2.232E+17 -1.40 30830.0! 34
C4H9 = C2H5 + C2H4 2.500E+13 0.0 28810.0! 35
C3H7 = C2H4 + CH3 9.600E+13 0.0 30950.0! 36
C3H7 = C3H6 + H 1.250E+14 0.0 36900.0! 37
C3H7 + O2 = C3H6 + HO2 1.000E+12 0.0 4980.0! 38
C3H6 = C2H3 + CH3 6.150E+15 0.0 85500.0! 39 ! 3.15
C3H6 + H = C3H5 + H2 5.000E+12 0.0 1500.0! 40
C3H6 + CH3 = C3H5 + CH4 9.000E+12 0.0 8480.0! 41
C3H6 + O2 = C3H5 + HO2 4.000E+12 0.0 39900.0! 42
C3H6 + OH = CH3CHO + CH3 3.500E+11 0.0 0.0! 43
C3H5 = C3H4 + H 4.000E+13 0.0 69760.0! 44
C3H5 + H = C3H4 + H2 1.000E+13 0.0 0.0! 45
C3H5 + O2 = C3H4 + HO2 6.000E+11 0.0 10000.0! 46
C3H4 + OH = C2H3 + CH2O 1.000E+12 0.0 0.0! 47
C3H4 + OH = C2H4 + HCO 1.000E+12 0.0 0.0! 48
C3H4 + O2 = C3H3 + HO2 4.000E+13 0.0 39160.0! 49
!
C2H5 + O = CH3CHO + H 5.300E+13 0.0 0.0! 50
C2H4 + HO2 = CH3CHO + OH 2.200E+13 0.0 17200.0! 51
C2H4 + CH3O = CH3CHO + CH3 3.000E+13 0.0 14500.0! 52
C2H4 + CH3O2 = CH3CHO + CH3O 7.000E+13 0.0 14500.0! 53
!C2H3 + OH = CH3CHO 3.000E+13 0.0 0.0!
CH3CHO = CH3 + HCO 7.080E+15 0.00 81760. ! 54
!CH3CHO = CH3CO + H 5.000E+14 0.00 87860. !
CH3CO + M = CH3 + CO + M 1.800E+16 0.00 1.44E+4! 55
CH3CHO + O2 = CH3CO + HO2 2.000E+13 0.50 42200. ! 56
CH3CHO + H = CH3CO + H2 4.100E+13 0.00 4200. ! 57
CH3CHO + OH = CH3CO + H2O 1.000E+13 0.00 0. ! 58
CH3CHO + O = CH3CO + OH 5.800E+12 0.00 1790. ! 59
CH3CHO + CH3 = CH3CO + CH4 1.700E+12 0.0 8440.0! 60
CH3CHO + CH2 = CH3CO + CH3 1.660E+12 0.0 3510. ! 61
CH3CHO + HO2 = CH3CO + H2O2 1.700E+12 0.00 10700. ! 62
CH3CHO + CH3O2 = CH3CO + CH4O2 1.150E+11 0.0 10000.0! 63
CH3CO + O = CH3 + CO2 1.000E+13 0.00 0. ! 64
CH3CO + H = CH3 + HCO 1.000E+14 0.0 0. ! 65
CH3CO + OH = CH3 + CO + OH 3.000E+13 0.0 0. ! 66
CH3CO + HO2 = CH3 + CO2 + OH 3.000E+13 0.0 0. ! 67
CH3CO + CH3 = C2H6 + CO 5.000E+13 0.00 0. ! 68
!
CH3O + CO = CH3 + CO2 1.570E+14 0.00 11800. ! 69
CH3O + H = CH2O + H2 2.000E+13 0.00 0. ! 70
CH3O + OH = CH2O + H2O 1.000E+13 0.00 0. ! 71
CH3O + O = CH2O + OH 1.000E+13 0.00 0. ! 72
CH3O + O2 = CH2O + HO2 1.200E+11 0.00 2600. ! 73
CH3O (+M) = CH2O + H (+M) 2.000E+13 0.00 27420.0! 74
LOW /2.344E+25 -2.7 3.060E+04/
CH3 + HO2 = CH3O + OH 4.300E+13 0.00 0. ! 75
CH3 + O2 = CH3O + O 3.670E+13 0.00 30000. ! 76
CH3 + O2 = CH2O + OH 4.800E+10 0.00 9000. ! 77 4.8 9000
CH3 + O2 = CH3O2 3.020E+59 -15.0 17204. ! 78 3.02
!
CH3O2 + HO2 = CH4O2 + O2 4.630E+11 0.0 -2583. ! 79
CH3O2 + CH4 = CH4O2 + CH3 1.810E+11 0.0 18480. ! 80
CH3O2 + CH3 = CH3O + CH3O 2.410E+13 0.0 0. ! 81 2.410E+13
CH3O2 + O = CH3O + O2 3.610E+13 0.0 0. ! 82
CH3O2 + H = CH3O + OH 9.640E+13 0.0 0. ! 83
CH3O2 + CH2O = CH4O2 + HCO 1.000E+12 0.0 11665. ! 84
CH3O2 + C2H6 = CH4O2 + C2H5 2.950E+11 0.0 14944. ! 85
CH3O2 + CH3O2 = CH3O + CH3O + O2 2.800E+11 0.0 -780. ! 86 11
CH3O2 + H2O2 = CH4O2 + HO2 2.400E+12 0.0 10000. ! 87
CH4O2 = CH3O + OH 3.000E+16 0.0 42920. ! 88 6.000E+16
CH3O2 + C2H4 = C2H3 + CH4O2 7.100E+11 0.0 17110. ! 89
CH4O2 + OH = CH3O2 + H2O 1.000E+13 0.0 -258. ! 90 ! 8.2
CH4O2 + O = CH3O2 + OH 2.000E+13 0.0 4750. ! 91
CH3 + O = CH2O + H 8.000E+13 0.00 0. ! 92
CH3 + OH = CH2 + H2O 7.500E+06 2.00 5000. ! 93
CH3 + OH = CH2O + H2 4.000E+12 0.00 0. ! 94
CH3O + H = CH3 + OH 1.000E+14 0.00 0. ! 95
CO + O + M = CO2 + M 6.170E+14 0.00 3000. ! 96
CO + OH = CO2 + H 3.510E+07 1.30 -758. ! 97
CO + O2 = CO2 + O 1.600E+13 0.00 41000. ! 98
HO2 + CO = CO2 + OH 5.800E+13 0.00 22930. ! 99
!
H2 + O2 = OH + OH 1.700E+13 0.00 47780. !100
H2 + OH = H2O + H 1.170E+09 1.30 3626. !101
O + OH = O2 + H 4.000E+14 -0.50 0. !102
O + H2 = OH + H 5.060E+04 2.67 6290. !103
H + HO2 = O + H2O 3.100E+10 0.00 3590. !104
O + OH + M = HO2 + M 1.000E+16 0.00 0. !105
H2O/6.0/ CO2/5.0/ H2/3.3/ CO/2.0/ N2/0.70/
H + O2 + M = HO2 + M 2.800E+18 -.86 0.0!106
O2/ .00/ H2O/ .00/ CO/ .75/ CO2/1.50/ C2H6/1.50/ N2/0.0/
H + O2 + O2 = HO2 + O2 2.080E+19 -1.24 0.0!107
H + O2 + H2O = HO2 + H2O 11.26E+18 -.76 0.0!108
H + O2 + N2 = HO2 + N2 2.600E+19 -1.24 0.0!109
OH + HO2 = H2O + O2 7.500E+12 0.00 0. !110
H + HO2 = OH + OH 1.700E+14 0.0 875. !111
O + HO2 = O2 + OH 1.400E+13 0.00 1073. !112
OH + OH = O + H2O 6.000E+08 1.30 0. !113
H + H + M = H2 + M 1.000E+18 -1.00 0. !114
H2/0./ H2O/0./ CO2/0./
H + H + H2 = H2 + H2 9.200E+16 -0.60 0. !115
H + H + H2O = H2 + H2O 6.000E+19 -1.25 0. !116
H + H + CO2 = H2 + CO2 5.490E+20 -2.00 0. !117
H + OH + M = H2O + M 1.600E+22 -2.00 0. !118
H + O + M = OH + M 6.200E+16 -0.60 0. !119
O + O + M = O2 + M 1.890E+13 0.00 -1788. !120
H + HO2 = H2 + O2 1.250E+13 0.00 0. !121
HO2 + HO2 = H2O2 + O2 2.000E+12 0.00 0. !122
OH + OH (+M) = H2O2 (+M) 7.600E+13 -.37 0. !123
LOW / 4.300E+18 -.900 -1700.00/
TROE/ .7346 94.00 1756.00 5182.00 /
H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.70/
H2O2 + H = HO2 + H2 1.600E+12 0.00 3800. !124
H2O2 + OH = H2O + HO2 1.000E+13 0.00 1800. !125
H2O2 + H = H2O + OH 1.000E+13 0.00 3590. !126
H2O2 + O = H2O + O2 8.400E+11 0.00 4260. !127
H2O2 + O = OH + HO2 2.000E+13 0.00 5900. !128
H2 + HO2 = H2O + OH 6.500E+11 0.00 18800. !129
!
CO2 + N = NO + CO 1.900E+11 0.00 3400. !130
N2O + O = N2 + O2 1.400E+12 0.00 10810. !131
N2O + O = NO + NO 2.900E+13 0.00 23150. !132
N2O + H = N2 + OH 4.400E+14 0.00 18880. !133
N2O + OH = N2 + HO2 2.000E+12 0.00 21060. !134
N2O + M = N2 + O + M 1.300E+11 0.00 59620. !135
N + NO = N2 + O 3.270E+12 0.30 0. !136
N + O2 = NO + O 6.400E+09 1.00 6280. !137
N + OH = NO + H 7.333E+13 0.00 1120. !138
!
CH2O + O2 = HCO + HO2 6.200E+13 0.00 39000. !139
CH2O + O = HCO + OH 4.100E+11 0.57 2760. !140 4.1
CH2O + H = HCO + H2 2.190E+08 1.80 3000. !141
CH2O + OH = HCO + H2O 2.430E+10 1.18 -447. !142
CH2O + HO2 = HCO + H2O2 3.000E+12 0.00 8000. !143
CH2O + M = CO + H2 + M 6.250E+15 0.00 69540. !144
CH2O + M = HCO + H + M 3.300E+16 0.00 81000. !145
!H2 + CO = CH2O 4.300E+07 1.50 79600. !
HCO + HCO = CH2O + CO 3.010E+13 0.00 0. !146
HCO + OH = H2O + CO 1.000E+14 0.00 0. !147
HCO + H = H2 + CO 1.190E+13 0.30 0. !148
HCO + O = OH + CO 3.000E+13 0.00 0. !149
HCO + O = H + CO2 3.000E+13 0.00 0. !150
HCO + O2 = HO2 + CO 3.300E+13 -0.40 0. !151
HCO + M = H + CO + M 1.870E+17 -1.00 17000. !152
!HCO + H + M = CH2O + M 1.000E+12 0.48 -260. !
HCO + HO2 = CO2 + OH + H 3.000E+13 0.00 0. !153
CH4 + O2 = CH3 + HO2 7.900E+13 0.00 56000. !154
!CH3 + HO2 = CH4 + O2 1.000E+12 0.00 0. !
CH4 + H = CH3 + H2 6.600E+08 1.60 10840. !155
CH4 + OH = CH3 + H2O 1.600E+06 2.10 2460. !156
CH4 + O = CH3 + OH 1.020E+09 1.50 8604. !157
CH4 + HO2 = CH3 + H2O2 1.000E+13 0.00 18700. !158
CH4 + CH2 = CH3 + CH3 4.000E+12 0.00 -570. !159
CH3 + CH2O = CH4 + HCO 5.500E+03 2.80 6000. !160
CH3 + HCO = CH4 + CO 1.200E+14 0.00 0. !161
CH3 + H = CH4 1.900E+36 -7.00 9050. !162
CH3 + H = CH2 + H2 9.000E+13 0.00 15100. !163
CH3 + CH3O = CH4 + CH2O 3.300E+14 0.00 0. !164 3.3
!CH3 + CH3 = C2H6 2.700D+53 -12.0 19400. !
CH3 + CH3 (+M) = C2H6 (+M) 2.120E+16 -0.97 620. !165
LOW / 1.770E+50 -9.670 6220.00/
TROE/ 0.5325 151.00 1038.00 4970.00 /
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ N2/0.7/
CH3 + CH3 = C2H5 + H 4.990E+12 .100 10600. !166
!CH2 + H2 = CH3 + H 5.000E+05 2.00 7230. !
CH2 + OH = CH2O + H 2.500E+13 0.00 0. !167
CH2 + O2 = HCO + OH 4.300E+10 0.00 -500. !168
CH2 + O2 = CO2 + H2 6.900E+11 0.00 500. !169
CH2 + O2 = CO + H2O 2.000E+10 0.00 -1000. !170
CH2 + O2 = CH2O + O 5.000E+13 0.00 9000. !171
CH2 + O2 = CO2 + H + H 1.600E+12 0.00 1000. !172
CH2 + O2 = CO + OH + H 8.600E+10 0.00 -500. !173
CH2 + CH2 = C2H2 + H2 1.200E+13 0.0 800. !174
CH2 + CH2 = C2H2 + H + H 1.200E+14 0.0 800. !175
CH2 + CO2 = CH2O + CO 1.000E+11 0.00 1000. !176
CH3 + HCO = CH2O + CH2 3.000E+13 0.00 0. !177
CH3 + C2H4 = CH4 + C2H3 6.620E+00 3.70 9482. !178
CH3 + CH3 = C2H4 + H2 1.000E+15 0.00 31000. !179
CH3 + CH2 = C2H4 + H 3.000E+13 0.00 -570. !180
C2H4 + H = C2H3 + H2 1.100E+14 0.00 8500. !181
C2H4 + O = CH3 + HCO 1.600E+09 1.20 746. !182
C2H4 + O = CH2O + CH2 3.000E+04 1.88 180. !183
C2H4 + O = C2H3 + OH 1.510E+07 1.91 3790. !184
C2H4 + OH = CH2O + CH3 6.000E+13 0.0 960. !185 ! 13
C2H4 + HO2 = C2H3 + H2O2 7.100E+11 0.0 17110. !186
C2H4 + OH = C2H3 + H2O 6.020E+13 0.00 5955. !187 ! 6.02 5955
C2H4 + M = C2H2 + H2 + M 1.500E+15 0.00 55800. !188
C2H4 + M = C2H3 + H + M 2.600E+17 0.0 96570. !189
C2H4 + H = C2H5 2.600E+43 -9.25 52580. !190
C2H6 + O2 = C2H5 + HO2 1.000E+13 0.00 48960. !191
C2H5 + O2 = C2H4 + HO2 2.000E+10 0.0 -2200. !192
C2H4 + O2 = C2H3 + HO2 4.200E+14 0.00 57590. !193 ! 14
C2H4 + C2H4 = C2H5 + C2H3 5.000E+14 0.0 64700. !194 ! 14
C2H5 + HO2 = C2H4 + H2O2 3.000E+11 0.00 0. !195
C2H2 + O2 = HCO + HCO 4.000E+12 0.00 28000. !196 2.0
C2H2 + O = CH2 + CO 1.020E+07 2.00 1900. !197
C2H2 + H + M = C2H3 + M 5.540E+12 0.00 2410. !198
C2H3 + H = C2H2 + H2 4.000E+13 0.00 0. !199
C2H3 + O2 = CH2O + HCO 4.000E+12 0.00 -250. !200
C2H3 + OH = C2H2 + H2O 3.000E+13 0.00 0. !201
C2H3 + CH2 = C2H2 + CH3 3.000E+13 0.00 0. !202
C2H3 + HCO = C2H4 + CO 6.034E+13 0.0 0. !203
C2H3 + C2H3 = C2H2 + C2H4 1.450E+13 0.0 0. !204
C2H3 + O = C2H2 + OH 1.000E+13 0.0 0. !205
C2H2 + OH = CH3 + CO 4.830E-04 4.00 -2000. !206
C2H2 + CH2 = C3H3 + H 1.200E+13 0.0 6620. !207
C3H3 + OH = C3H2 + H2O 1.000E+13 0.0 0. !208
C3H3 + O = CH2O + C2H 1.000E+13 0.0 0. !209
C2H3 = C2H2 + H 4.600E+40 -8.80 46200. !210
!
C2H2 = C2H + H 2.373E+32 -5.28 130688. !211
C2H + O2 = HCO + CO 5.000E+13 0.00 1500. !212
C2H + H2 = H + C2H2 4.900E+05 2.50 560.0 !213
C2H2 + O = C2H + OH 4.600E+19 -1.41 28950.0 !214
C2H2 + OH = C2H + H2O 3.370E+07 2.00 14000.0 !215
C2H2 + C2H = C4H2 + H 9.600E+13 0.00 0.0 !216
C3H4 + O = C2H3 + HCO 3.200E+12 0.00 2.01E+3!217
C3H4 + O = C2H4 + CO 3.200E+12 0.00 2.01E+3!218
C3H4 + O = HCCO + CH3 6.300E+12 0.00 2.01E+3!219
!
! Reactions of C4H and C4H2
!
C4H + H2 = H + C4H2 4.900E+05 2.5 560.0 !220
C4H2 + OH = C4H + H2O 3.370E+07 2.0 14000.0 !221
C4H2 + O = C3H2 + CO 2.700E+13 0.0 1720.0 !222 Wellman
C3H2 + O = C2H2 + CO 6.800E+13 0.0 0.0 !223
C3H2 + OH = HCO + C2H2 6.800E+13 0.0 0.0 !224
C2H2 + C2H = C4H3 4.500E+37 -7.68 7100.0 !225
C3H2 + CH2 = C4H3 + H 5.000E+13 0.0 0.0 !226
C4H2 + H = C4H3 1.100E+42 -8.72 15300.0 !227
C4H3 + H = C2H2 + C2H2 6.300E+25 -3.34 10014.0 !228
C4H3 + H = C4H2 + H2 1.500E+13 0.00 0.0 !229
C4H3 + OH = C4H2 + H2O 2.500E+12 0.00 0.0 !230
!
C2H2 + HCCO = C3H3 + CO 1.000E+11 0.000 3000.0 !231 Miller-Bowman
C3H2 + O2 = HCCO + CO + H 5.000E+13 0.000 0.0 !232 Miller-Melius
HCCO+O = H+CO+CO 1.000E+14 0.000 0.0 !233
HCCO+O2 = OH+2CO 3.200E+12 0.000 854.0 !234
HCCO+CH2 = C2H3+CO 3.000E+13 0.000 0.0 !235
HCCO+HCCO = C2H2+CO+CO 1.000E+13 0.000 0.0 !236
C2H+OH = H+HCCO 2.000E+13 0.000 0.0 !237
CH2+CO(+M) = CH2CO(+M) 8.100E+11 0.500 4510.0 !238
LOW / 2.690E+33 -5.110 7095.00/
TROE/ 0.5907 275.00 1226.00 5185.00 /
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ N2/0.7/
C2H2+OH = CH2CO+H 2.180E-04 4.500 -1000.0 !239
CH2CO+H = HCCO+H2 5.000E+13 0.000 8000.0 !240
CH2CO+H = CH3+CO 1.130E+13 0.000 3428.0 !241
CH2CO+O = HCCO+OH 5.000E+13 0.000 8000.0 !242
CH2CO+O = CH2+CO2 1.750E+12 0.000 1350.0 !243
CH2CO+OH = HCCO+H2O 7.500E+12 0.000 2000.0 !244
C2H3+O = CH2CO+H 3.000E+13 0.000 0.0 !245
C3H3 + O2 = CH2CO + HCO 3.000E+10 0.0 2878.0 !246 Gutman
C4H3 + O2 = HCCO + CH2CO 7.860E+16 -1.80 0.0 !247 Gutman
!C4H3 + C2H2 = A1- 1.900E+63 -15.25 30600.0 !
!A1 + H = A1- + H2 2.500E+14 0.0 16000. ! Kiefer
!A1 + OH = A1- + H2O 1.600E+08 1.42 1450. ! CEC
!A1- + H (+M) = A1 (+M) 1.000E+14 0.00 0. ! RRKM
! LOW/ 6.6E+75 -16.30 7000. /
! TROE / 1.0 0.1 584.9 6113. /
! H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
! soot formation
!C3H3 + C3H3 = A1 2.000E+10 0.0 0.0 !
!A1 = 6C(S)+3H2 2.000E+10 0.0 0.0 !
!C4H2 = 4C(S)+H2 2.000E+10 0.0 0.0 !
!C(S)+C2H2=>3C(S)+H2 2.000E+10 0.0 0.0 !
!C2H2 = 2C(S)+H2 2.000E+10 0.0 0.0 !
!
O+CH2OH<=>OH+CH2O 1.000E+13 .000 .00!248
H+CH2O(+M)<=>CH2OH(+M) 5.400E+11 .454 3600.00!249
LOW / 1.270E+32 -4.820 6530.00/
TROE/ .7187 103.00 1291.00 4160.00 /
H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.7/
H+CH2OH<=>H2+CH2O 2.000E+13 .000 .00!250
H+CH2OH<=>OH+CH3 1.650E+11 .650 -284.00!251
H+CH3O<=>H+CH2OH 4.150E+07 1.630 1924.00!252
C2H3+O2<=>O+CH2CHO 3.030E+11 .290 11.00!253
C2H3+O2<=>HO2+C2H2 1.337E+06 1.610 -384.00!254
O+CH3CHO<=>OH+CH2CHO 2.920E+12 .000 1808.00!255
O+CH3CHO=>OH+CH3+CO 2.920E+12 .000 1808.00!256
O2+CH3CHO=>HO2+CH3+CO 3.010E+13 .000 39150.00!257
H+CH3CHO<=>CH2CHO+H2 2.050E+09 1.160 2405.00!258
H+CH3CHO=>CH3+H2+CO 2.050E+09 1.160 2405.00!259
OH+CH3CHO=>CH3+H2O+CO 2.343E+10 0.730 -1113.00!260
HO2+CH3CHO=>CH3+H2O2+CO 3.010E+12 .000 11923.00!261
CH3+CH3CHO=>CH3+CH4+CO 2.720E+06 1.770 5920.00!262
H+CH2CO(+M)<=>CH2CHO(+M) 4.865E+11 0.422 -1755.00!263
LOW/ 1.012E+42 -7.63 3854.0/
TROE/ 0.465 201.0 1773.0 5333.0 /
H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/ .70/
O+CH2CHO=>H+CH2+CO2 1.500E+14 .000 .00!264
O2+CH2CHO=>OH+CO+CH2O 1.810E+10 .000 .00!265
O2+CH2CHO=>OH+2HCO 2.350E+10 .000 .00!266
H+CH2CHO<=>CH3+HCO 2.200E+13 .000 .00!267
H+CH2CHO<=>CH2CO+H2 1.100E+13 .000 .00!268
OH+CH2CHO<=>H2O+CH2CO 1.200E+13 .000 .00!269
OH+CH2CHO<=>HCO+CH2OH 3.010E+13 .000 .00!270
!
C3H8(+M)=C2H5+CH3(+M) 9.90E+22 -1.6 84429.0 !271 Tsang 1988
LOW / 2.237E+27 -2.88 67448.0 / ! Al-Alami 1983
TROE /1.0 1.0E-15 1500.0 1.0E+15/
H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/ .70/ C3H8/4.0/
O+C3H8<=>OH+C3H7 1.930E+05 2.680 3716.00!272
H+C3H8<=>C3H7+H2 1.020E+06 2.340 6756.00!273
OH+C3H8<=>C3H7+H2O 3.160E+07 1.800 934.00!274
C3H7+H2O2<=>HO2+C3H8 3.780E+02 2.720 1500.00!275
CH3+C3H8<=>C3H7+CH4 0.903E+00 3.650 7154.00!276
C3H8+C2H5=C3H7+C2H6 9.000E-01 3.650 9140.00!277
C3H8+C2H3=C3H7+C2H4 6.000E+02 3.300 10502.00!278
CH3+C2H4(+M)<=>C3H7(+M) 2.550E+06 1.600 5700.00!279
LOW/ 3.00E+63 -14.6 18170./
TROE/ .1894 277.0 8748.0 7891.0 /
H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.70/ C3H8/4.0/
O+C3H7<=>C2H5+CH2O 9.640E+13 .000 .00!280
H+C3H7(+M)<=>C3H8(+M) 3.613E+13 .000 .00!281
LOW/ 4.420E+61 -13.545 11357.0/
TROE/ .315 369.0 3285.0 6667.0 /
H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.70/
H+C3H7<=>CH3+C2H5 4.060E+06 2.190 890.00!282
CH2+C3H8=CH3+C3H7 1.500E+0 3.460 7470.00!283
OH+C3H7<=>C2H5+CH2OH 2.410E+13 .000 .00!284
HO2+C3H7<=>O2+C3H8 2.550E+10 0.255 -943.00!285
HO2+C3H7=>OH+C2H5+CH2O 2.410E+13 .000 .00!286
CH3+C3H7<=>2C2H5 1.927E+13 -0.320 .00!287
C3H7+CH3 <=> CH4+C3H6 1.100E+13 0.000 0.0 !288 TS3
C3H6+C2H5=C3H5+C2H6 2.230E+00 3.500 6640.0 !289
C3H6+O = CH3+CH3CO 6.800E+04 2.560 -1.13E+3!290
END

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ELEMENTS
H O C N AR
END
SPECIE
C6H5CH3 C7H8O C7H7 C7H7O
C7H7OH C6H5CHO C6H5CO
C12H10 C6H6 C6H5OH C6H5O C6H5
C5H6 C5H5O C5H4OH C5H5 C5H4O C4H6
CH2CHCHCH C4H4 H2CCCCH C4H2 C3H4 H2CCCH
C3H2 C2H4 C2H3 C2H2 CH2CO C2H
HCCO CH4 CH3O CH3 CH2O CH2 CH2(3)
CH CO2 CO H2O H2 H2O2
HCO HO2 H OH O2 O
C6H5(L) C6H4OH C6H4 C6H2 C6H C5H3
C5H2 CH2CHCCH2 HCCHCCH C4H H2C4O C3H6
C3H5 C3H4P C2H6 C2H5 HCCOH C2O
CH3OH CH2OH C C2
C6H3 C8H6 C8H8 C8H10 C10H7 C10H8
AR N2
END
THERMO ALL
300.000 1000.000 5000.000
C6H5CH3 L 6/87C 7H 8 0 0G 200.000 6000.000 1
0.12940034E+02 0.26691287E-01-0.96838505E-05 0.15738629E-08-0.94663601E-13 2
-0.69764908E+03-0.46728785E+02 0.16152663E+01 0.21099438E-01 0.85366018E-04 3
-0.13261066E-06 0.55956604E-10 0.40756300E+04 0.20282210E+02 4
C7H8O CRESOL L 6/87C 7H 8O 1 0G 200.000 6000.000 1
0.15932987E+02 0.27011160E-01-0.99448722E-05 0.16296689E-08-0.98513298E-13 2
-0.23592065E+05-0.59732841E+02 0.42258267E+00 0.45551636E-01 0.32012513E-04 3
-0.81121959E-07 0.37665658E-10-0.18202621E+05 0.26032903E+02 4
C6H5CHO L 3/86C 7H 6O 1 0G 298.150 5000.000 1
0.13650737E+02 0.25680419E-01-0.10466729E-04 0.19413430E-08-0.13483792E-12 2
-0.11019744E+05-0.47965796E+02-0.31627334E+01 0.66369245E-01-0.34816353E-04 3
-0.62999377E-08 0.85807101E-11-0.61169349E+04 0.40231735E+02 4
C6H5CO therm C 7H 5O 1 0G 300.000 5000.000 1392.000 1
1.75116258e+01 1.62650511e-02-5.65051892e-06 8.86922680e-10-5.18657990e-14 2
4.67641545e+03-6.70531966e+01-1.56729686e+00 5.99817511e-02-4.29153585e-05 3
1.48666854e-08-1.98938453e-12 1.12873830e+04 3.55490009e+01 4
C6H4 BurcatC 6H 4 0 0G 300.000 5000.000 1420.000 1
1.61320877E+01 9.41620382E-03-3.11126898E-06 4.72171941E-10-2.69719153E-14 2
5.66472138E+04-5.91590247E+01-3.97720368E-01 5.75565537E-02-5.66835885E-05 3
2.72075244E-08-5.03385170E-12 6.13213019E+04 2.60457753E+01 4
CH2 BurcatC 1H 2 0 0G 200.000 6000.000 1
0.03552888E+02 0.02066788E-01-0.01914116E-05-0.11046733E-09 0.02021349E-12 2
0.04984975E+06 0.01686570E+02 0.03971265E+02-0.01699088E-02 0.10253689E-05 3
0.02492550E-07-0.01981266E-10 0.04989367E+06 0.05753207E+00 4
CH2(3) BurcatC 1H 2 0 0G 200.000 6000.000 1
0.25387122E+01 0.38225491E-02-0.12861304E-05 0.19800308E-09-0.11465743E-13 2
0.46129253E+05 0.81054648E+01 0.41793655E+01-0.22178553E-02 0.79653602E-05 3
-0.69127339E-08 0.22475318E-11 0.45750857E+05-0.76113703E-02 4
C3H4P BurcatH 4C 3 0 0G 300.000 5000.000 1399.000 1
7.42833795E+00 9.44170622E-03-3.17278962E-06 4.86601152E-10-2.79868438E-14 2
1.88799773E+04-1.68291009E+01 1.75329557E+00 2.24124129E-02-1.45664551E-05 3
5.08221854E-09-7.47083130E-13 2.08950138E+04 1.37761621E+01 4
C3H4 BurcatC 3H 4 0 0G 300.000 5000.000 1401.000 1
7.73985546E+00 9.20561227E-03-3.09859442E-06 4.75848854E-10-2.73966525E-14 2
1.93588295E+04-1.93523527E+01 8.39838965E-01 2.58649489E-02-1.86527566E-05 3
7.14802816E-09-1.13254013E-12 2.17003608E+04 1.75115041E+01 4
C12H9 O-BIPHENYL84C 12.H 9. 0. 0.G 300.000 5000.000 1000.000 1
0.23851303E 02 0.31960227E-01-0.11076719E-04 0.16847825E-08-0.92641173E-13 2
0.40171297E 05-0.10270549E 03-0.31376228E 01 0.82217276E-01-0.40171444E-05 3
-0.60809782E-07 0.32074482E-10 0.48868754E 05 0.42730362E 02 0.51444448E 05 4
BIPHENYL L12/84C 12H 10 0 0G 300.000 5000.000 1398.000 1
3.03543436E+01 2.79259296E-02-9.52722170E-06 1.47907724E-09-8.58879412E-14 2
6.80038924E+03-1.44507270E+02-9.07687754E+00 1.22663820E-01-9.48186712E-05 3
3.55586680E-08-5.17329758E-12 1.99164369E+04 6.58085250E+01 4
C12H10 BurcatC 12H 10 0 0G 300.000 5000.000 1398.000 1
3.03543436E+01 2.79259296E-02-9.52722170E-06 1.47907724E-09-8.58879412E-14 2
6.80038924E+03-1.44507270E+02-9.07687754E+00 1.22663820E-01-9.48186712E-05 3
3.55586680E-08-5.17329758E-12 1.99164369E+04 6.58085250E+01 4
AR Kee186AR 1 G 0300.00 5000.00 1000.00 1
0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
-0.07453750E+04 0.04366000E+02 0.02500000E+02 0.00000000E+00 0.00000000E+00 3
0.00000000E+00 0.00000000E+00-0.07453750E+04 0.04366000E+02 4
C Kee086C 1 G 0300.00 5000.00 1000.00 1
0.02602087E+02-0.01787081E-02 0.09087041E-06-0.11499333E-10 0.03310844E-14 2
0.08542154E+06 0.04195177E+02 0.02498584E+02 0.08085776E-03-0.02697697E-05 3
0.03040729E-08-0.11066518E-12 0.08545878E+06 0.04753459E+02 4
CH4 Kee286C 1H 4 G 0300.00 5000.00 1000.00 1
0.01683478E+02 0.10237236E-01-0.03875128E-04 0.06785585E-08-0.04503423E-12 2
-0.10080787E+05 0.09623395E+02 0.07787415E+01 0.01747668E+00-0.02783409E-03 3
0.03049708E-06-0.12239307E-10-0.09825229E+05 0.13722195E+02 4
C2 Kee286C 2 G 0300.00 5000.00 1000.00 1
0.04135978E+02 0.06531618E-03 0.01837099E-05-0.05295085E-09 0.04712137E-13 2
0.09967272E+06 0.07472923E+01 0.06996045E+02-0.07400601E-01 0.03234703E-04 3
0.04802535E-07-0.03295917E-10 0.09897487E+06-0.13862268E+02 4
C2H Kee387C 2H 1 G 0300.00 5000.00 1000.00 1
0.04427688E+02 0.02216268E-01-0.06048952E-05 0.09882517E-09-0.07351179E-13 2
0.06590415E+06-0.11994418E+01 0.03050667E+02 0.06051674E-01-0.04956634E-04 3
0.02804159E-07-0.08193332E-11 0.06630011E+06 0.05954361E+02 4
C2H2 Kee386C 2H 2 G 0300.00 5000.00 1000.00 1
0.04436770E+02 0.05376039E-01-0.01912816E-04 0.03286379E-08-0.02156709E-12 2
0.02566766E+06-0.02800338E+02 0.02013562E+02 0.15190446E-01-0.16163189E-04 3
0.09078992E-07-0.01912746E-10 0.02612444E+06 0.08805378E+02 4
C2H4 Kee286C 2H 4 G 0300.00 5000.00 1000.00 1
0.03528418E+02 0.11485185E-01-0.04418385E-04 0.07844600E-08-0.05266848E-12 2
0.04428288E+05 0.02230389E+02-0.08614880E+01 0.02796162E+00-0.03388677E-03 3
0.02785152E-06-0.09737879E-10 0.05573046E+05 0.02421148E+03 4
C2H5 Kee387C 2H 5 G 0300.00 5000.00 1000.00 1
0.07190480E+02 0.06484077E-01-0.06428064E-05-0.02347879E-08 0.03880877E-12 2
0.10674549E+05-0.14780892E+02 0.02690701E+02 0.08719133E-01 0.04419838E-04 3
0.09338703E-08-0.03927773E-10 0.12870404E+05 0.12138195E+02 4
C2H6 Kee686C 2H 6 G 0300.00 4000.00 1000.00 1
0.04825938E+02 0.13840429E-01-0.04557258E-04 0.06724967E-08-0.03598161E-12 2
-0.12717793E+05-0.05239506E+02 0.14625388E+01 0.15494667E-01 0.05780507E-04 3
-0.12578319E-07 0.04586267E-10-0.11239176E+05 0.14432295E+02 4
C2O Kee286C 2O 1 G 0300.00 5000.00 1000.00 1
0.04849809E+02 0.02947585E-01-0.10907286E-05 0.01792562E-08-0.11157585E-13 2
0.03282055E+06-0.06453225E+01 0.03368850E+02 0.08241803E-01-0.08765145E-04 3
0.05569262E-07-0.15400086E-11 0.03317081E+06 0.06713314E+02 4
C3H2 Kee686C 3H 2 G 0300.00 5000.00 1000.00 1
0.06530853E+02 0.05870316E-01-0.01720776E-04 0.02127498E-08-0.08291910E-13 2
0.05115213E+06-0.11227278E+02 0.02691077E+02 0.14803664E-01-0.03250551E-04 3
-0.08644363E-07 0.05284877E-10 0.05219072E+06 0.08757391E+02 4
C3H5 Kee/77C 3H 5 G 0300.00 5000.00 1000.00 1
0.79091978E+01 0.12115255E-01-0.41175863E-05 0.61566796E-09-0.33235733E-13 2
0.12354156E+05-0.19672333E+02-0.54100400E+00 0.27284101E-01-0.96365329E-06 3
-0.19129462E-07 0.98394175E-11 0.15130395E+05 0.26067337E+02 4
C3H6 Kee186C 3H 6 G 0300.00 5000.00 1000.00 1
0.06732257E+02 0.14908336E-01-0.04949899E-04 0.07212022E-08-0.03766204E-12 2
-0.09235703E+04-0.13313348E+02 0.14933071E+01 0.02092517E+00 0.04486794E-04 3
-0.16689121E-07 0.07158146E-10 0.10748264E+04 0.16145340E+02 4
C4 Kee286C 4 G 0300.00 5000.00 1000.00 1
0.06500180E+02 0.04228632E-01-0.01790717E-04 0.03404812E-08-0.02403978E-12 2
0.11434008E+06-0.11488894E+02 0.02343028E+02 0.16429811E-01-0.15279858E-04 3
0.07343826E-07-0.15822743E-11 0.11545384E+06 0.09826204E+02 4
C4H Kee686C 4H 1 G 0300.00 5000.00 1000.00 1
0.06242882E+02 0.06193682E-01-0.02085931E-04 0.03082203E-08-0.16364826E-13 2
0.07568019E+06-0.07210806E+02 0.05023247E+02 0.07092375E-01-0.06073762E-07 3
-0.02275752E-07 0.08086994E-11 0.07623812E+06-0.06942594E+00 4
C4H2 Kee686C 4H 2 G 0300.00 5000.00 1000.00 1
0.09031407E+02 0.06047252E-01-0.01948788E-04 0.02754863E-08-0.13856080E-13 2
0.05294735E+06-0.02385067E+03 0.04005191E+02 0.01981000E+00-0.09865877E-04 3
-0.06635158E-07 0.06077413E-10 0.05424065E+06 0.01845736E+02 4
C4H4 Kee C 4H 4 G 300.000 5000.000 1404.000 1
1.00207062E+01 9.67390881E-03-3.23076021E-06 4.93586227E-10-2.83175163E-14 2
3.26359855E+04-2.84768495E+01 1.01074067E+00 3.33151781E-02-2.73656162E-05 3
1.17824083E-08-2.04860686E-12 3.54881795E+04 1.89625510E+01 4
C4H6 Kee186C 4H 6 G 0300.00 5000.00 1000.00 1
0.08046583E+02 0.16485251E-01-0.05522227E-04 0.08123593E-08-0.04295078E-12 2
0.13701305E+05-0.01800457E+03 0.03197108E+02 0.02025591E+00 0.06510192E-04 3
-0.16584423E-07 0.06400282E-10 0.15715203E+05 0.09895660E+02 4
C5H2 Kee587C 5H 2 G 0300.00 5000.00 1000.00 1
0.11329175E+02 0.07424056E-01-0.02628188E-04 0.04082541E-08-0.02301332E-12 2
0.07878706E+06-0.03617117E+03 0.03062321E+02 0.02709998E+00-0.10091697E-04 3
-0.12727451E-07 0.09167219E-10 0.08114969E+06 0.07071078E+02 4
C5H3 Kee387C 5H 3 G 0300.00 5000.00 1000.00 1
0.10787622E+02 0.09539619E-01-0.03206744E-04 0.04733323E-08-0.02512135E-12 2
0.06392904E+06-0.03005444E+03 0.04328720E+02 0.02352480E+00-0.05856723E-04 3
-0.12154494E-07 0.07726478E-10 0.06588531E+06 0.04173258E+02 4
C5H4O burcat C 5H 4O 1 0G 300.000 5000.000 1000.000 1
0.12606535e 02 0.16747067e-01-0.61097587e-05 0.99674576e-09-0.60111834e-13 2
0.14114657e 04-0.42604911e 02 0.23043601e 00 0.32322572e-01 0.28900908e-04 3
-0.70680613e-07 0.33407174e-10 0.55554724e 04 0.25330946e 02 4
C5H4OH burcat C 5H 5O 1 0G 300.000 5000.000 1000.000 1
0.13367777e 02 0.15205911e-01-0.54592662e-05 0.88135325e-09-0.52774563e-13 2
0.47218184e 04-0.45920099e 02-0.12820812e 01 0.49040075e-01-0.13687402e-04 3
-0.29134476e-07 0.19006885e-10 0.88893319e 04 0.30797801e 02 4
C5H5 mar96C 5H 5 G 0300.00 4000.00 1403.00 1
1.29044479e 01 1.26989021e-02-4.35726839e-06 6.78034680e-10-3.94047039e-14 2
2.59665811e 04-4.89414326e 01-4.48313342e 00 6.14978772e-02-5.77725922e-05 3
2.73308264e-08-5.08259162e-12 3.11707706e 04 4.15116727e 01 4
C6H5O 82489C 6H 5O 1 G 0300.00 4000.00 1000.00 1
0.01822639e+03 0.01003985e+00-0.09915668e-05-0.05672804e-08 0.01068372e-11 2
-0.02620846e+05-0.07361391e+03 0.01107497e+02 0.03956946e+00 0.08497295e-05 3
-0.02436311e-06 0.09650660e-10 0.03159672e+05 0.01973496e+03 4
C6H5OH 82489C 6H 6O 1 G 0300.00 4000.00 1000.00 1
0.01821633e+03 0.01142427e+00-0.01096684e-04-0.06427442e-08 0.01198893e-11 2
-0.02053664e+06-0.07304234e+03 0.01391456e+02 0.03931958e+00 0.01777096e-04 3
-0.02277673e-06 0.08309659e-10-0.01472181e+06 0.01917813e+03 4
C5H6 Kee387C 5H 6 G 0300.00 5000.00 1000.00 1
0.09689815E+02 0.01838262E+00-0.06264884E-04 0.09393377E-08-0.05087708E-12 2
0.11021242E+05-0.03122908E+03-0.03196739E+02 0.04081361E+00 0.06816505E-05 3
-0.03137459E-06 0.15772230E-10 0.15290676E+05 0.03869938E+03 4
C6H Kee686C 6H 1 G 0300.00 5000.00 1000.00 1
0.11587352E+02 0.07295362E-01-0.02466008E-04 0.03407045E-08-0.14981855E-13 2
0.10314481E+06-0.03172578E+03 0.04769848E+02 0.02457279E+00-0.07561252E-04 3
-0.14806908E-07 0.09768053E-10 0.10485231E+06 0.03241530E+02 4
C6H2 Kee686C 6H 2 G 0300.00 5000.00 1000.00 1
0.12756519E+02 0.08034381E-01-0.02618215E-04 0.03725060E-08-0.01878850E-12 2
0.08075469E+06-0.04041262E+03 0.05751085E+02 0.02636719E+00-0.11667596E-04 3
-0.10714498E-07 0.08790297E-10 0.08262012E+06-0.04335532E+02 4
C6H3 Kee387C 6H 3 G 0300.00 5000.00 1000.00 1
0.12761181E+02 0.10385573E-01-0.03479192E-04 0.05109733E-08-0.02690965E-12 2
0.07477706E+06-0.03891745E+03 0.05007089E+02 0.02692851E+00-0.05919865E-04 3
-0.15272335E-07 0.09408310E-10 0.07713200E+06 0.02225621E+02 4
C6H5 Kee489C 6H 5 G 0300.00 4000.00 1000.00 1
0.15775887E+02 0.09651109E-01-0.09429416E-05-0.05469111E-08 0.10265216E-12 2
0.03302698E+06-0.06176280E+03 0.11435567E+00 0.03627324E+00 0.11582856E-05 3
-0.02196964E-06 0.08463556E-10 0.03836054E+06 0.02380117E+03 4
C6H5(L) 82489C 6H 5 G 0300.00 4000.00 1000.00 1
0.01721540e+03 0.08621068e-01-0.08221340e-05-0.04752164e-08 0.08844086e-12 2
0.06385819e+06-0.06139128e+03 0.04854269e+02 0.03031659e+00 0.01742893e-05 3
-0.01811010e-06 0.07392511e-10 0.06798734e+06 0.05854935e+02 4
C6H5O Kee489C 6H 5O 1 G 0300.00 4000.00 1000.00 1
0.01822638E+03 0.10039851E-01-0.09915668E-05-0.05672804E-08 0.10683716E-12 2
-0.02620846E+05-0.07361390E+03 0.11074965E+01 0.03956945E+00 0.08497295E-05 3
-0.02436311E-06 0.09650659E-10 0.03159672E+05 0.01973496E+03 4
C6H5OH Kee489C 6H 6O 1 G 0300.00 4000.00 1000.00 1
0.01821632E+03 0.11424269E-01-0.10966843E-05-0.06427442E-08 0.11988930E-12 2
-0.02053664E+06-0.07304233E+03 0.13914556E+01 0.03931957E+00 0.01777096E-04 3
-0.02277673E-06 0.08309659E-10-0.14721809E+05 0.01917813E+03 4
C6H6 Kee387C 6H 6 G 0300.00 5000.00 1000.00 1
0.12910740E+02 0.01723296E+00-0.05024210E-04 0.05893497E-08-0.01947521E-12 2
0.03664511E+05-0.05002699E+03-0.03138012E+02 0.04723103E+00-0.02962207E-04 3
-0.03262819E-06 0.01718691E-09 0.08890031E+05 0.03657573E+03 4
C6H7 Kee489C 6H 7 G 0300.00 4000.00 1000.00 1
0.01755221E+03 0.12270795E-01-0.11857424E-05-0.06959661E-08 0.13013259E-12 2
0.16245813E+05-0.07166588E+03 0.04639166E+01 0.03975928E+00 0.02529095E-04 3
-0.02223792E-06 0.07557053E-10 0.02225169E+06 0.02235387E+03 4
C10H8 Gardib8C 10H 8 G 0300.00 5000.00 1000.00 1
0.19726501E+02 0.28167639E-01-0.96896429E-05 0.14654855E-08-0.80134955E-13 2
0.85581797E+04-0.86023239E+02-0.46547480E+01 0.74611127E-01-0.53069607E-05 3
-0.54125859E-07 0.29066527E-10 0.16325324E+05 0.45005463E+02 4
CH Kee1286C 1H 1 G 0300.00 5000.00 1000.00 1
0.02196223E+02 0.02340381E-01-0.07058201E-05 0.09007582E-09-0.03855040E-13 2
0.07086723E+06 0.09178373E+02 0.03200202E+02 0.02072875E-01-0.05134431E-04 3
0.05733890E-07-0.01955533E-10 0.07045259E+06 0.03331587E+02 4
CH2CO Kee1686C 2H 2O 1 G 0300.00 5000.00 1000.00 1
0.06038817E+02 0.05804840E-01-0.01920953E-04 0.02794484E-08-0.14588676E-13 2
-0.08583402E+05-0.07657581E+02 0.02974970E+02 0.12118712E-01-0.02345045E-04 3
-0.06466685E-07 0.03905649E-10-0.07632636E+05 0.08673553E+02 4
CH2O Kee1286C 1H 2O 1 G 0300.00 5000.00 1000.00 1
0.02995606E+02 0.06681321E-01-0.02628954E-04 0.04737153E-08-0.03212517E-12 2
-0.15320369E+05 0.06912572E+02 0.16527311E+01 0.12631439E-01-0.01888168E-03 3
0.02050031E-06-0.08413237E-10-0.14865404E+05 0.13784820E+02 4
CH2OH Kee0186H 3C 1O 1 G 0250.00 4000.00 1000.00 1
0.06327520E+02 0.03608270E-01-0.03201547E-05-0.01938750E-08 0.03509704E-12 2
-0.04474509E+05-0.08329365E+02 0.02862628E+02 0.10015273E-01-0.05285435E-05 3
-0.05138539E-07 0.02246041E-10-0.03349678E+05 0.10397938E+02 4
CH3 Kee1286C 1H 3 G 0300.00 5000.00 1000.00 1
0.02844051E+02 0.06137974E-01-0.02230345E-04 0.03785161E-08-0.02452159E-12 2
0.16437809E+05 0.05452697E+02 0.02430442E+02 0.11124099E-01-0.01680220E-03 3
0.16218288E-07-0.05864952E-10 0.16423781E+05 0.06789794E+02 4
CH3O Kee1686C 1H 3O 1 G 0300.00 3000.00 1000.00 1
0.03770799E+02 0.07871497E-01-0.02656384E-04 0.03944431E-08-0.02112616E-12 2
0.12783252E+03 0.02929575E+02 0.02106204E+02 0.07216595E-01 0.05338472E-04 3
-0.07377636E-07 0.02075610E-10 0.09786011E+04 0.13152177E+02 4
CH3OH Kee1686C 1H 4O 1 G 0300.00 5000.00 1000.00 1
0.04029061E+02 0.09376593E-01-0.03050254E-04 0.04358793E-08-0.02224723E-12 2
-0.02615791E+06 0.02378195E+02 0.02660115E+02 0.07341508E-01 0.07170050E-04 3
-0.08793194E-07 0.02390570E-10-0.02535348E+06 0.11232631E+02 4
CO Kee1286C 1O 1 G 0300.00 5000.00 1000.00 1
0.03025078E+02 0.14426885E-02-0.05630827E-05 0.10185813E-09-0.06910951E-13 2
-0.14268350E+05 0.06108217E+02 0.03262451E+02 0.15119409E-02-0.03881755E-04 3
0.05581944E-07-0.02474951E-10-0.14310539E+05 0.04848897E+02 4
CO2 Kee1286C 1O 2 G 0300.00 5000.00 1000.00 1
0.04453623E+02 0.03140168E-01-0.12784105E-05 0.02393996E-08-0.16690333E-13 2
-0.04896696E+06-0.09553959E+01 0.02275724E+02 0.09922072E-01-0.10409113E-04 3
0.06866686E-07-0.02117280E-10-0.04837314E+06 0.10188488E+02 4
H Kee0186H 1 G 0300.00 5000.00 1000.00 1
0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
0.02547162E+06-0.04601176E+01 0.02500000E+02 0.00000000E+00 0.00000000E+00 3
0.00000000E+00 0.00000000E+00 0.02547162E+06-0.04601176E+01 4
H2 Kee1286H 2 G 0300.00 5000.00 1000.00 1
0.02991423E+02 0.07000644E-02-0.05633828E-06-0.09231578E-10 0.15827519E-14 2
-0.08350340E+04-0.13551101E+01 0.03298124E+02 0.08249441E-02-0.08143015E-05 3
-0.09475434E-09 0.04134872E-11-0.10125209E+04-0.03294094E+02 4
H2C4O Kee0189H 2C 4O 1 G 0300.00 4000.00 1000.00 1
0.10268878E+02 0.04896164E-01-0.04885080E-05-0.02708566E-08 0.05107013E-12 2
0.02346902E+06-0.02815985E+03 0.04810971E+02 0.13139988E-01 0.09865073E-05 3
-0.06120720E-07 0.16400028E-11 0.02545803E+06 0.02113424E+02 4
H2CCCCH Kee2489C 4H 3 G 0300.00 4000.00 1000.00 1
0.11314095E+02 0.05014414E-01-0.05350444E-05-0.02825309E-08 0.05403279E-12 2
0.05181211E+06-0.03062434E+03 0.06545799E+02 0.12424768E-01 0.05603226E-05 3
-0.05631141E-07 0.16652183E-11 0.05352502E+06-0.04264082E+02 4
H2CCCCH2 Kee2489C 4H 4 G 0300.00 4000.00 1000.00 1
0.10620828E+02 0.07199370E-01-0.06806234E-05-0.04021185E-08 0.07378498E-12 2
0.03358797E+06-0.03193583E+03 0.03849007E+02 0.01713169E+00 0.16442703E-05 3
-0.07761590E-07 0.01947859E-10 0.03608372E+06 0.05732120E+02 4
H2CCCH Kee2489C 3H 3 G 0300.00 4000.00 1000.00 1
0.08831047E+02 0.04357194E-01-0.04109066E-05-0.02368723E-08 0.04376520E-12 2
0.03847419E+06-0.02177919E+03 0.04754199E+02 0.11080277E-01 0.02793323E-05 3
-0.05479212E-07 0.01949629E-10 0.03988883E+06 0.05854549E+01 4
H2O Kee0387H 2O 1 G 0300.00 5000.00 1000.00 1
0.02672145E+02 0.03056293E-01-0.08730260E-05 0.12009964E-09-0.06391618E-13 2
-0.02989921E+06 0.06862817E+02 0.03386842E+02 0.03474982E-01-0.06354696E-04 3
0.06968581E-07-0.02506588E-10-0.03020811E+06 0.02590232E+02 4
H2O2 Kee0186H 2O 2 G 0300.00 5000.00 1000.00 1
0.04573167E+02 0.04336136E-01-0.14746888E-05 0.02348903E-08-0.14316536E-13 2
-0.01800696E+06 0.05011369E+01 0.03388753E+02 0.06569226E-01-0.14850125E-06 3
-0.04625805E-07 0.02471514E-10-0.01766314E+06 0.06785363E+02 4
HCCHCCH Kee2489C 4H 3 G 0300.00 4000.00 1000.00 1
0.10752738E+02 0.05381153E-01-0.05549637E-05-0.03052266E-08 0.05761740E-12 2
0.06121419E+06-0.02973025E+03 0.04153881E+02 0.01726287E+00-0.02389374E-05 3
-0.10187000E-07 0.04340504E-10 0.06338070E+06 0.06036506E+02 4
HCCO Kee2387H 1C 2O 1 G 0300.00 4000.00 1000.00 1
0.06758073E+02 0.02000400E-01-0.02027607E-05-0.10411318E-09 0.01965164E-12 2
0.01901513E+06-0.09071262E+02 0.05047965E+02 0.04453478E-01 0.02268282E-05 3
-0.14820945E-08 0.02250741E-11 0.01965891E+06 0.04818439E+01 4
HCCOH Kee2387H 2C 2O 1 G 0300.00 4000.00 1000.00 1
0.07328324E+02 0.03336416E-01-0.03024705E-05-0.01781106E-08 0.03245168E-12 2
0.07598258E+05-0.14012140E+02 0.03899465E+02 0.09701075E-01-0.03119309E-05 3
-0.05537732E-07 0.02465732E-10 0.08701190E+05 0.04491874E+02 4
HCO Kee1286H 1C 1O 1 G 0300.00 5000.00 1000.00 1
0.03557271E+02 0.03345572E-01-0.13350060E-05 0.02470572E-08-0.01713850E-12 2
0.03916324E+05 0.05552299E+02 0.02898329E+02 0.06199146E-01-0.09623084E-04 3
0.10898249E-07-0.04574885E-10 0.04159922E+05 0.08983614E+02 4
HO2 Kee0387H 1O 2 G 0300.00 5000.00 1000.00 1
0.04072191E+02 0.02131296E-01-0.05308145E-05 0.06112269E-09-0.02841164E-13 2
-0.15797270E+03 0.03476029E+02 0.02979963E+02 0.04996697E-01-0.03790997E-04 3
0.02354192E-07-0.08089024E-11 0.01762273E+04 0.09222724E+02 4
O Kee0186O 1 G 0300.00 5000.00 1000.00 1
0.02542059E+02-0.02755061E-03-0.03102803E-07 0.04551067E-10-0.04368051E-14 2
0.02923080E+06 0.04920308E+02 0.02946428E+02-0.16381665E-02 0.02421031E-04 3
-0.16028431E-08 0.03890696E-11 0.02914764E+06 0.02963995E+02 4
O2 Kee1386O 2 G 0300.00 5000.00 1000.00 1
0.03697578E+02 0.06135197E-02-0.12588420E-06 0.01775281E-09-0.11364354E-14 2
-0.12339301E+04 0.03189165E+02 0.03212936E+02 0.11274864E-02-0.05756150E-05 3
0.13138773E-08-0.08768554E-11-0.10052490E+04 0.06034737E+02 4
OH Kee1286O 1H 1 G 0300.00 5000.00 1000.00 1
0.02882730E+02 0.10139743E-02-0.02276877E-05 0.02174683E-09-0.05126305E-14 2
0.03886888E+05 0.05595712E+02 0.03637266E+02 0.01850910E-02-0.16761646E-05 3
0.02387202E-07-0.08431442E-11 0.03606781E+05 0.13588605E+01 4
CH2CHCCH2 Kee C 4H 5 G 300.000 5000.000 1413.000 1
1.11854536E+01 1.06049024E-02-3.42268950E-06 5.10812979E-10-2.88272523E-14 2
3.24441710E+04-3.39237401E+01 1.05514961E+00 3.77996411E-02-3.15008221E-05 3
1.36464976E-08-2.36025391E-12 3.55501864E+04 1.91307649E+01 4
CH2CHCHCH Kee C 4H 5 G 300.000 5000.000 1413.000 1
1.11854536E+01 1.06049024E-02-3.42268950E-06 5.10812979E-10-2.88272523E-14 2
3.86847347E+04-3.39237401E+01 1.05514961E+00 3.77996411E-02-3.15008221E-05 3
1.36464976E-08-2.36025391E-12 4.17907501E+04 1.91307649E+01 4
C6H4OH MOPAC C 6H 5O 1 0G 300.000 5000.000 1404.000 1
1.45068436E+01 1.59404980E-02-5.37246333E-06 8.26250158E-10-4.76347968E-14 2
9.52783213E+03-5.58395061E+01-3.09604127E+00 6.10439698E-02-4.99110690E-05 3
2.08646723E-08-3.49237193E-12 1.51688735E+04 3.71626206E+01 4
C8H8 EBG C 8H 8 0 0G 300.000 5000.000 1397.000 1
1.97218275E+01 2.13671373E-02-7.18301846E-06 1.10346973E-09-6.35885595E-14 2
8.09327433E+03-8.32435075E+01-5.59026555E+00 8.59858562E-02-7.07697538E-05 3
2.96387500E-08-4.96343461E-12 1.62297563E+04 5.05773921E+01 4
C8H10 EBG C 8H 10O 0 0G 300.000 5000.000 1390.000 1
2.14713086E+01 2.49558342E-02-8.42478694E-06 1.29835947E-09-7.49993230E-14 2
-7.46898472E+03-9.36428065E+01-6.24730659E+00 8.99995431E-02-6.56895331E-05 3
2.37336850E-08-3.37085410E-12 1.97071484E+03 5.48599202E+01 4
C7H7 T08/90C 7H 7 0 0G 200.000 6000.000 1
0.14043980E+02 0.23493873E-01-0.85375367E-05 0.13890841E-08-0.83614420E-13 2
0.18564203E+05-0.51665589E+02 0.48111540E+00 0.38512832E-01 0.32861492E-04 3
-0.76972721E-07 0.35423068E-10 0.23307027E+05 0.23548820E+02 4
C7H7O EBG C 7H 7O 1 0G 300.000 5000.000 1389.000 1
2.08644385E+01 1.85115130E-02-6.34591221E-06 9.88320326E-10-5.75152427E-14 2
-8.39231428E+03-9.15798540E+01-3.73786936E+00 7.52967730E-02-5.47150593E-05 3
1.89060939E-08-2.46715849E-12 2.67233477E+01 4.04727046E+01 4
C7H7OH EBG C 7H 8O 1 0G 300.000 5000.000 1398.000 1
2.05745245E+01 2.05513700E-02-6.88594427E-06 1.05580886E-09-6.07715527E-14 2
-2.54145704E+04-8.69178692E+01-4.48479735E+00 8.32792049E-02-6.68674735E-05 3
2.70252364E-08-4.34410399E-12-1.72753716E+04 4.59408329E+01 4
C10H7 mopac C 10H 7O 0 0G 300.000 5000.000 1431.000 1
1.77174588E+01 2.67239869E-02-8.72730540E-06 1.31405429E-09-7.46517931E-14 2
3.78635946E+04-7.55942936E+01-4.97706841E+00 7.81519562E-02-5.09523896E-05 3
1.59157709E-08-1.79646453E-12 4.56870324E+04 4.64894159E+01 4
N2 Kee286N 2 G 0300.00 5000.00 1000.00 1
0.02926640E+02 0.14879768E-02-0.05684760E-05 0.10097038E-09-0.06753351E-13 2
-0.09227977E+04 0.05980528E+02 0.03298677E+02 0.14082404E-02-0.03963222E-04 3
0.05641515E-07-0.02444854E-10-0.10208999E+04 0.03950372E+02 4
C2H3 Kee87C 2H 3 G 0300.00 5000.00 1000.00 1
0.05933468E+02 0.04017745E-01-0.03966739E-05-0.14412666E-09 0.02378643E-12 2
0.03185434E+06-0.08530313E+02 0.02459276E+02 0.07371476E-01 0.02109872E-04 3
-0.13216421E-08-0.11847838E-11 0.03335225E+06 0.11556202E+02 4
C8H6 A 6/83C 8H 6 0 0G 300. 3000. 1000.000 1
0.15638086E+02 0.22068432E-01-0.80253111E-05 0.13065013E-08-0.78679279E-13 2
0.32272867E+05-0.59610868E+02-0.87234720E+00 0.51839614E-01 0.66079738E-05 3
-0.55950961E-07 0.29284749E-10 0.37461628E+05 0.29096304E+02 4
C12H9 BIPHENYL O-L12/84C 12.H 9. 0. 0.G 300.000 5000.00 1000.000 1
0.23851303E 02 0.31960227E-01-0.11076719E-04 0.16847825E-08-0.92641173E-13 2
0.40171297E 05-0.10270549E 03-0.31376228E 01 0.82217276E-01-0.40171444E-05 3
-0.60809782E-07 0.32074482E-10 0.48868754E 05 0.42730362E 02 4
END
REACTIONS
C6H5+C6H5=C12H10 7.01E+15 -1.0 1470.0 ! 1
C6H5+C6H6=C12H10+H 1.00E+12 .0 7000.0 ! 2
H2CCCH+C7H7=C10H8+2H 6.03E+11 .0 .0 ! 3
2C5H5=C10H8+H2 4.30E+36 -6.3 45671.0 ! 4
HCCHCCH+C6H5=C10H8 3.18E+23 -3.2 4220.0 ! 5
HCCHCCH+C6H5=C10H7+H 2.00E-10 7.1 1560.0 ! 6
C10H8+OH=C10H7+H2O 2.10E+13 .0 4600.0 ! 7
C10H7+H=C10H8 6.65E+15 -.1 560.0 ! 8
C10H8+C2H3=C10H7+C2H4 5.00E+13 .0 16000.0 ! 9
C10H8+C2H=C10H7+C2H2 5.00E+13 .0 16000.0 ! 10
C10H8+H=C10H7+H2 2.50E+14 .0 16000.0 ! 11
C8H10+OH=C8H8+H2O+H 8.34E+12 .0 2583.0 ! 12
C8H10+H=C8H8+H2+H 8.00E+13 .0 8235.0 ! 13
C8H10+O2=C8H8+HO2+H 2.00E+14 .0 41400.0 ! 14
C7H7+CH3=C8H10 3.14E+18 -1.8 2340.0 ! 15
C7H7+CH3=C8H8+H2 2.02E-11 7.2 8170.0 ! 16
C8H10=C8H8+H2 5.01E+12 .0 64000.0 ! 17
C8H10+H=C6H6+C2H5 1.20E+13 .0 5100.0 ! 18
C6H5+C2H3=C8H8 1.06E+26 -4.0 5250.0 ! 19
C6H5+C4H4=C8H8+C2H 3.20E+11 .0 1900.0 ! 20
C6H5+C4H6=C8H8+C2H3 3.20E+11 .0 1900.0 ! 21
C4H4+C4H4=C8H8 1.83E+20 -1.9 40460.0 ! 22
CH2CHCHCH+C4H4=C8H8+H 3.16E+11 .0 600.0 ! 23
C8H8+H=C8H6+H2+H 6.92E+14 .0 14500.0 ! 24
C6H6+C2H=C8H6+H 1.00E+12 .0 .0 ! 25
C6H5+C2H=C8H6 5.24E+14 -.5 700.0 ! 26
C6H5+C4H2=C8H6+C2H 2.00E+13 .0 .0 ! 27
C6H5+C4H4=C8H6+C2H3 3.20E+11 .0 1350.0 ! 28
CH2CHCHCH+C4H2=C8H6+H 3.16E+11 .0 1800.0 ! 29
!
C7H7+H=C6H5CH3 9.01E+17 -1.1 1300.0 ! 30
C6H5+CH3=C6H5CH3 9.78E+18 -1.9 1650.0 ! 31
C6H5CH3+O2=C7H7+HO2 3.00E+14 .0 41400.0 ! 32
C6H5CH3+OH=C7H7+H2O 1.26E+13 .0 2583.0 ! 33
C6H5CH3+H=C7H7+H2 1.20E+14 .0 8235.0 ! 34
C6H5CH3+H=C6H6+CH3 1.20E+13 .0 5148.0 ! 35
C6H5CH3+CH3=C7H7+CH4 3.16E+11 .0 9500.0 ! 36
C6H5CH3+C6H5=C7H7+C6H6 2.10E+12 .0 4400.0 ! 37
C6H5CH3+C2H3=C7H7+C2H4 3.98E+12 .0 8000.0 ! 38
C6H5CH3+O=C7H7O+H 1.63E+13 0.0 3418.0 ! 39
CH2CHCHCH+C3H4=C6H5CH3+H 2.00E+11 .0 3700.0 ! 40
CH2CHCHCH+C3H4P=C6H5CH3+H 3.16E+11 .0 3700.0 ! 41
C7H8O+H=C6H5CH3+OH 2.21E+13 .0 7910.0 ! 42
C7H8O+H=C6H5OH+CH3 1.20E+13 .0 5148.0 ! 43
C6H5O+CH3=C7H8O 1.00E+12 .0 .0 ! 44
C7H7+C6H5OH=C6H5CH3+C6H5O 1.05E+11 .0 9500.0 ! 45
C7H8O+C7H7=C7H7O+C6H5CH3 1.05E+11 0.0 9500.0 ! 46
C7H8O+OH=C7H7O+H2O 6.00E+12 0.0 0.0 ! 47
C7H8O+H=C7H7O+H2 1.50E+14 0.0 12400.0 ! 48
C7H7O+H=C7H8O 2.50E+14 0.0 0.0 ! 49
C7H7O=C6H6+H+CO 2.51E+11 0.0 43900.0 ! 50
C6H5+CH3=C7H7+H 5.70E-02 5.0 15700.0
C7H7+OH=C6H5O+CH3 2.28E+49 -10.9 14130.0
C5H5+C2H2=C7H7 1.16E+15 -1.1 9710.0
C4H4+H2CCCH=C7H7 1.10E+16 -2.4 12470.0
C7H7+HO2=C6H5+CH2O+OH 8.00E+13 .0 .0
C7H7+O=C6H5CHO+H 2.50E+14 0.0 0.0
C7H7+O=C6H5+CH2O 8.00E+13 0.0 0.0
C7H7+HO2=C6H5CHO+H+OH 2.50E+14 0.0 0.0
C7H7+OH=C7H7OH 6.00E+13 0.0 0.0
C7H7OH+O2=C6H5CHO+H+HO2 2.00E+14 0.0 41400.0
C7H7OH+OH=C6H5CHO+H+H2O 8.43E+12 0.0 2583.0
C7H7OH+H=C6H5CHO+H+H2 8.00E+13 0.0 0.0
C7H7OH+H=C6H6+CH2OH 1.20E+13 0.0 6148.0
C7H7OH+C7H7=C6H5CHO+C6H5CH3+H 2.11E+11 0.0 9500.0
C7H7OH+C6H5=C6H5CHO+C6H6+H 1.40E+12 0.0 4400.0
C6H5CHO+O2=C6H5CO+HO2 1.02E+13 0.0 38950.0
C6H5CHO+OH=C6H5CO+H2O 1.71E+09 1.18 -447.0
C6H5CHO+H=C6H5CO+H2 5.00E+13 0.0 4928.0
C6H5CHO+H=C6H5+CH2O 2.00E+13 0.0 2000.0
C6H5CHO+H=C6H6+HCO 1.20E+13 0.0 5148.0
C6H5CHO+O=C6H5CO+OH 9.04E+12 0.0 3080.0
C6H5CHO+CH3=CH4+C6H5CO 2.77E+03 2.81 5773.0
C6H5CHO+C6H5=C6H6+C6H5CO 7.01E+11 0.0 4400.0
C6H5CO=C6H5+CO 3.98E+14 0.0 29400.0
C4H4+C2H2=C6H6 4.47E+11 .0 30090.0
C6H5+H=C6H6 2.20E+14 .0 .0
C6H6+H=C6H5+H2 2.50E+14 .0 16000.0
C6H5O+H=C6H6+O 3.02E+54 -11.2 64750.0
C6H6+OH=C6H5+H2O 1.45E+13 .0 4491.0
C6H6+O2=C6H5+HO2 6.30E+13 .0 60000.0
C6H5+CH2O=C6H6+HCO 1.75E+10 .0 .0
C3H4+C3H2=C6H6 7.38E+13 -.7 920.0
C3H4P+C3H2=C6H6 1.42E+14 -.8 1030.0
C3H4+H2CCCH=C6H6+H 2.20E+11 .0 2000.0
C6H6+OH=C6H5OH+H 3.54E+09 1.0 7906.0
C5H6+CO=C6H5OH 9.00E+09 .0 34600.0
C6H5OH+H=C6H5O+H2 1.15E+14 .0 12400.0
C6H5OH+O=C6H5O+OH 2.81E+13 .0 7352.0
C6H5OH+OH=C6H5O+H2O 2.95E+06 2.0 1312.0
C6H5OH+OH=C6H4OH+H2O 6.00E+12 .0 .0
C6H5OH+HO2=C6H5O+H2O2 3.00E+13 .0 15000.0
C6H5OH+C2H3=C2H4+C6H5O 6.00E+12 .0 .0
C6H5OH+CH2CHCHCH=C4H6+C6H5O 6.00E+12 .0 .0
C6H5OH+CH2CHCCH2=C4H6+C6H5O 6.00E+12 .0 .0
C6H5OH+C6H5=C6H6+C6H5O 4.91E+12 .0 4400.0
C6H5O+H=C6H5OH 7.24E+47 -9.7 20190.0
C6H5O+C5H6=C5H5+C6H5OH 3.16E+11 .0 8000.0
C5H5+CO=C6H5O 2.41E+14 -1.9 22080.0
C6H5O+H=C5H6+CO 1.06E+53 -10.7 41360.0
C6H5+O2=C6H5O+O 2.09E+12 .0 7470.0
C6H5+OH=C6H5O+H 5.00E+13 .0 .0
C6H5+O2=2CO+C2H2+C2H3 7.50E+13 .0 15002.0
C2H2+HCCHCCH=C6H5 2.80E+03 2.9 1400.0
C6H5=C6H5(L) 4.09E+21 -2.4 75346.0
C6H5(L)+H=C6H4+H2 2.00E+13 .0 .0
HCCHCCH+C2H2=C6H5(L) 8.32E+13 -1.3 4880.0
C6H4+H=C6H5(L) 3.31E+66 -15.4 20490.0
C4H4+C2H2=C6H5+H 1.00E+09 .0 29999.0
C6H4+H=C6H3+H2 1.50E+14 .0 10205.3
C6H3+H=C6H4 6.04E+32 -6.0 7650.0
C6H4+OH=C6H3+H2O 7.00E+13 .0 3011.4
C6H4+C2H=C6H3+C2H2 2.00E+13 .0 .0
C2H2+HCCHCCH=C6H4+H 4.10E+10 .6 13550.0
C5H5+CO=C6H4OH 1.38E+11 -1.0 51190.0
C6H3+H=C6H2+H2 2.00E+13 .0 .0
C4H2+C2H=C6H3 2.70E+31 -6.0 7450.0
C6H2+H=C6H3 1.30E+22 -2.9 6130.0
C6H2+M=C6H+H+M 5.00E+16 .0 80065.0
C6H2+OH=C6H+H2O 1.10E+13 .0 7002.7
C6H2+C2H=C6H+C2H2 2.00E+13 .0 .0
C4H2+C2H=C6H2+H 4.00E+13 .0 .0
2C3H2=C6H2+H2 2.00E+13 .0 85000.0
C6H2+C2H=C4H+C4H2 1.00E+13 .0 .0
C5H6+HO2=C5H5+H2O2 1.99E+12 .0 11660.0
C5H6+O2=C5H5+HO2 2.00E+13 .0 25000.0
!
C5H6+O2=C5H5O+OH 1.00E+13 .0 20712.0
C5H6+O=C5H5+OH 1.81E+13 .0 3080.0
C5H6+C2H3=C5H5+C2H4 6.00E+12 .0 .0
C5H6+CH2CHCHCH=C5H5+C4H6 6.00E+12 .0 .0
C5H6+CH2CHCCH2=C5H5+C4H6 6.00E+12 .0 .0
C5H6+H=C3H5+C2H2 1.00E+13 .0 12000.0
C3H5+C5H5=C5H6+C3H4 1.00E+12 .0 .0
C5H5+H=C5H6 7.35E+32 -5.8 7470.0
CH2CHCHCH+CO=C5H5O 4.58E+01 1.4 31820.0
C5H5+OH=C5H4OH+H 3.00E+13 .0 .0
C5H5+O=CH2CHCHCH+CO 1.00E+14 .0 .0
C5H5+HO2=C5H5O+OH 3.00E+13 .0 .0
H2CCCH+C2H2=C5H5 5.08E+53 -12.5 57210.0
C5H5+O=C5H5O 1.71E+24 -3.4 4500.0
C5H4O+H=C5H4OH 5.36E+31 -5.4 12420.0
C5H4O=CO+C2H2+C2H2 1.00E+15 .0 78000.0
C4H2+CH2(3)=C5H3+H 1.30E+13 .0 .0
C4H2+CH2=C5H3+H 3.00E+13 .0 .0
C4H2+CH=C5H2+H 1.00E+14 .0 .0
C4H6+H2CCCH=CH2CHCCH2+C3H4 1.00E+13 .0 22501.0
C4H6+O=C2H4+CH2CO 1.00E+12 .0 .0
C4H6+O=C3H4+CH2O 1.00E+12 .0 .0
C4H6+OH=C3H5+CH2O 1.00E+12 .0 .0
C4H6+OH=C2H5+CH2CO 1.00E+12 .0 .0
C4H6+H=CH2CHCHCH+H2 3.00E+07 2.0 6000.0
CH2CHCCH2+M=C4H4+H+M 2.00E+15 .0 42000.0
CH2CHCHCH+M=C4H4+H+M 1.00E+14 .0 30000.0
CH2CHCCH2+O2=C4H4+HO2 1.20E+11 .0 .0
CH2CHCHCH+O2=C4H4+HO2 1.20E+11 .0 .0
CH2CHCHCH+H=CH2CHCCH2+H 1.00E+14 .0 .0
CH2CHCHCH+OH=C4H4+H2O 2.00E+07 2.0 1000.0
CH2CHCHCH+H=C4H4+H2 3.00E+07 2.0 1000.0
CH2CHCHCH+C2H2=C6H6+H 2.80E+03 2.9 1400.0
CH2CHCHCH+C2H3=C6H6+H2 2.80E-07 5.6 -1890.0
2C2H3=CH2CHCCH2+H 4.00E+13 .0 .0
CH2CHCCH2+OH=C4H4+H2O 2.00E+07 2.0 1000.0
CH2CHCCH2+H=C4H4+H2 3.00E+07 2.0 1000.0
HCCHCCH+H+M=C4H4+M 1.00E+15 .0 .0
H2CCCCH+H+M=C4H4+M 1.00E+15 .0 .0
H+H2CCCCH=C4H4 3.48E+25 -4.1 14150.0
C4H4+OH=H2CCCCH+H2O 7.50E+06 2.0 5000.0
C4H4+C2H=H2CCCCH+C2H2 4.00E+13 .0 .0
C4H4+C2H=HCCHCCH+C2H2 4.00E+13 .0 .0
C4H4+H=H2CCCCH+H2 3.00E+07 2.0 5000.0
C4H4+H=HCCHCCH+H2 2.00E+07 2.0 15000.0
H2CCCH+CH2(3)=C4H4+H 4.00E+13 .0 .0
C4H4+C2H3=C2H4+H2CCCCH 5.00E+11 .0 16300.0
C4H4+C2H3=C2H4+HCCHCCH 5.00E+11 .0 16300.0
!
C4H4+C2H=C4H2+C2H3 1.00E+13 .0 .0
C2H3+C2H=C4H4 9.22E+27 -4.3 5510.0
C2H4+C2H=C4H4+H 1.21E+13 .0 .0
HCCHCCH+H=H2CCCCH+H 1.00E+14 .0 .0
H2CCCCH+M=C4H2+H+M 2.00E+15 .0 48000.0
HCCHCCH+M=C4H2+H+M 1.00E+14 .0 30000.0
H2CCCCH+O=CH2CO+C2H 2.00E+13 .0 .0
H2CCCCH+O=H2C4O+H 2.00E+13 .0 .0
H2CCCCH+O2=CH2CO+HCCO 1.00E+12 .0 .0
H2CCCCH+OH=C4H2+H2O 3.00E+13 .0 .0
H2CCCCH+H=C4H2+H2 5.00E+13 .0 .0
H2CCCCH+H2=C2H2+C2H3 5.01E+10 .0 20000.0
H2CCCCH+CH2(3)=C3H4+C2H 2.00E+13 .0 .0
C2H2+C2H=HCCHCCH 4.17E+36 -7.3 8780.0
H2CCCH+CH=H2CCCCH+H 7.00E+13 .0 .0
H2CCCH+CH=HCCHCCH+H 7.00E+13 .0 .0
C2H2+C2H2=HCCHCCH+H 1.00E+13 .0 45888.0
C3H2+CH2(3)=H2CCCCH+H 3.00E+13 .0 .0
C4H2+O=C3H2+CO 1.20E+12 .0 .0
2C3H2=C4H2+C2H2 2.00E+13 .0 85000.0
C2H2+C2H=C4H2+H 3.00E+13 .0 .0
C4H2+M=C4H+H+M 3.50E+17 .0 80065.0
C4H2+C2H=C4H+C2H2 2.00E+13 .0 .0
C3H6+HO2=C3H5+H2O2 9.64E+03 2.6 13910.0
C3H6+CH3=C3H5+CH4 2.21E+00 3.5 5675.0
C3H6+O=C3H5+OH 6.03E+10 .7 7633.0
C3H6+O=C2H5+HCO 1.21E+11 .1 8960.0
C3H6+O2=C3H5+HO2 6.03E+13 .0 47593.0
C3H6+CH2OH=C3H5+CH3OH 6.03E+01 3.0 11989.0
C3H6+CH3O=C3H5+CH3OH 9.00E+01 3.0 11987.0
C3H6+C2H=C3H4P+C2H3 1.21E+13 .0 .0
C3H6+CH2=C3H5+CH3 7.23E+11 .0 6192.0
C3H6+HCO=C3H5+CH2O 1.08E+07 1.9 17006.0
C3H6+C2H5=C3H5+C2H6 2.23E+00 3.5 6637.0
C3H6+C2H3=C3H5+C2H4 2.21E+00 3.5 4682.0
C3H5+HCO=C3H6+CO 6.03E+13 .0 .0
C3H5+CH2OH=C3H6+CH2O 1.81E+13 .0 .0
C3H5+CH3O=C3H6+CH2O 3.01E+13 .0 .0
C3H5+C2H3=C3H6+C2H2 4.82E+12 .0 .0
C3H5+C2H5=C3H6+C2H4 2.59E+12 .0 -131.0
2C3H5=C3H4+C3H6 8.43E+10 .0 -262.0
CH2+C2H5=C3H6+H 9.03E+12 .0 .0
CH2+C2H4=C3H6 9.03E+13 .0 .0
C3H4+H=C3H5 1.20E+11 .7 3007.0
C3H5+OH=C3H4+H2O 6.03E+12 .0 .0
CH3+C2H2=C3H5 2.43E+46 -10.9 19974.0
C3H5+CH2=C4H6+H 3.01E+13 .0 .0
C2H+C3H5=C2H2+C3H4 1.50E-01 .0 .0
C2H+C3H5=C2H3+H2CCCH 2.00E+01 .0 .0
C3H5+C2H3=C3H4+C2H4 2.41E+12 .0 .0
!
C3H5+C2H5=C3H4+C2H6 9.64E+11 .0 -131.0
C2H3+CH2OH=C3H5+OH 1.21E+13 .0 .0
C2H4+CH2(3)+M=C3H5+H+M 3.19E+12 .0 5285.4
C3H4=C3H4P 1.90E+29 -5.0 67303.0
C3H4+C3H2=3C2H2 1.70E+13 .0 15000.0
C3H4P+C3H2=3C2H2 1.70E+13 .0 15000.0
C3H4+O=CO+C2H4 1.50E+13 .0 2103.0
C3H4+OH=HCO+C2H4 1.00E+12 .0 .0
C3H4+M=H2CCCH+H+M 1.00E+17 .0 70000.0
C3H4P+M=H2CCCH+H+M 1.00E+17 .0 70000.0
C3H4+CH3=H2CCCH+CH4 2.00E+12 .0 7700.0
C3H4P+CH3=H2CCCH+CH4 2.00E+12 .0 7700.0
C3H4+H=C2H2+CH3 2.00E+13 .0 2400.0
C2H+CH3=C3H4P 5.53E+38 -8.2 35420.0
CH2(3)+C2H2+M=C3H4+M 1.20E+13 .0 6600.0
C2H2+CH2+M=C3H4P+M 2.23E+14 .0 .0
C2H3+CH2(3)=C3H4+H 3.00E+13 .0 .0
C2H2+CH2+M=C3H4+M 2.23E+14 .0 .0
C3H4P+C2H=C2H2+H2CCCH 1.00E+13 .0 .0
C3H4+C2H=C2H2+H2CCCH 1.00E+13 .0 .0
C3H4+O=CH2O+C2H2 9.00E+12 .0 1870.0
C3H4+O=HCO+C2H3 9.00E+12 .0 1870.0
C3H4P+O=CH2O+C2H2 7.50E+12 .0 2102.0
C3H4P+O=HCO+C2H3 7.50E+12 .0 2102.0
C3H4+OH=CH2CO+CH3 3.37E+12 .0 -304.0
C3H4P+OH=CH2CO+CH3 4.28E+11 .0 -843.0
H2CCCH+O=C3H2+OH 3.20E+12 .0 .0
CH3+C2H=H2CCCH+H 2.41E+13 .0 .0
C2H+CH2OH=H2CCCH+OH 1.21E+13 .0 .0
C2H+C2H5=CH3+H2CCCH 1.81E+13 .0 .0
C2H2+HCCO=H2CCCH+CO 1.10E+11 .0 3000.0
H2CCCH+O2=CH2CO+HCO 3.00E+10 .0 2868.0
C3H2+O=C2H+HCO 6.80E+13 .0 .0
H2C4O+H=C2H2+HCCO 5.00E+13 .0 3000.0
H2C4O+OH=CH2CO+HCCO 1.00E+07 2.0 2000.0
C2H6+CH3=C2H5+CH4 5.50E-01 4.0 8300.0
C2H6+H=C2H5+H2 5.40E+02 3.5 5210.0
C2H6+O=C2H5+OH 3.00E+07 2.0 5115.0
C2H6+OH=C2H5+H2O 8.70E+09 1.1 1810.0
C2H6+O2=C2H5+HO2 1.00E+13 .0 51000.0
C2H6+HO2=C2H5+H2O2 3.00E+11 .0 11500.0
HCO+C2H5=C2H6+CO 1.21E+14 .0 .0
C2H4+C2H5=C2H3+C2H6 6.32E+02 3.1 18010.0
2CH3+M=C2H6+M 3.18E+41 -7.0 2762.0
H2 /2.0/ CO/2.0/ CO2/3.0/ H2O /5.0/
CH2+C2H6=CH3+C2H5 1.20E+14 .0 .0
C2H6+HCO=C2H5+CH2O 4.70E+04 2.7 18233.0
2C2H5=C2H6+C2H4 1.39E+12 .0 .0
C2H3+C2H5=C2H6+C2H2 4.82E+11 .0 .0
C2H2+C2H5=C2H6+C2H 2.71E+11 .0 23446.6
C2H5+O=C2H4+OH 5.00E+13 .0 .0
C2H5+O=CH2O+CH3 1.61E+13 .0 .0
HO2+C2H5=C2H4+H2O2 3.01E+11 .0 .0
CH2(3)+CH3=C2H5 2.53E+20 -3.5 2030.0
CH3+C2H5=C2H4+CH4 1.95E+13 -.5 .0
CH3+CH2=C2H5 1.11E+19 -3.2 1780.0
C2H+C2H5=C2H2+C2H4 1.81E+12 .0 .0
C2H5+H=C2H4+H2 1.81E+12 .0 .0
C2H5+H=CH3+CH3 1.00E+14 .0 .0
C2H5+O2=C2H4+HO2 8.43E+11 .0 3875.0
C2H4+H+M=C2H5+M 6.37E+27 -2.8 -54.0
2C2H4=C2H5+C2H3 4.82E+14 .0 71539.0
C2H5+OH=C2H4+H2O 2.41E+13 .0 .0
C2H5+HO2=CH3+CH2O+OH 2.40E+13 .0 .0
CH2+C2H5=C2H4+CH3 9.03E+12 .0 .0
CH2(3)+C2H5=CH3+C2H4 1.81E+13 .0 .0
C2H4+M=C2H2+H2+M 2.60E+17 .0 79297.0
C2H4+M=C2H3+H+M 1.40E+16 .0 82360.0
C2H4+O=CH2O+CH2 2.51E+13 .0 5000.0
C2H4+H=C2H3+H2 1.33E+06 2.5 12241.0
2CH2(3)=C2H4 1.11E+20 -3.4 2070.0
CH2(3)+CH3=C2H4+H 4.20E+13 .0 .0
CH3O+C2H3=CH2O+C2H4 2.41E+13 .0 .0
CH2CO+CH2=C2H4+CO 1.60E+14 .0 .0
C2H3+H2O2=C2H4+HO2 1.21E+10 .0 -596.0
C2H3+CH2O=C2H4+HCO 5.43E+03 2.8 5862.0
C2H3+CH2OH=C2H4+CH2O 3.01E+13 .0 .0
CH3+CH2=C2H4+H 4.94E+13 -.1 94.0
CH+CH4=C2H4+H 6.00E+13 .0 .0
C2H4+O=CH3+HCO 1.60E+09 1.2 746.0
C2H4+OH=C2H3+H2O 2.02E+13 .0 5955.0
C2H4+OH=CH3+CH2O 1.05E+12 .0 -916.0
C2H4+O2=C2H3+HO2 4.22E+13 .0 57594.0
C2H4+CH3=C2H3+CH4 4.16E+12 .0 11127.2
C2H4+O=OH+C2H3 1.51E+07 1.9 3736.0
C2H4+C2H2=2C2H3 2.41E+13 .0 68360.0
C2H3+HCO=C2H4+CO 9.04E+13 .0 .0
C2H2+H2=C2H3+H 4.02E+15 -.6 65800.0
C2H3+O=CH2CO+H 3.00E+13 .0 .0
C2H3+O=C2H2+OH 3.00E+13 .0 .0
C2H3+O=CO+CH3 3.00E+13 .0 .0
CH+CH2(3)=C2H3 3.09E+14 -2.0 620.0
CH+CH3=C2H3+H 3.00E+13 .0 .0
CH2+CH2=C2H3+H 2.00E+13 .0 .0
2CH2(3)=C2H3+H 7.12E+21 -3.9 2460.0
CH2OH+C2H2=C2H3+CH2O 7.30E+11 .0 9004.0
C2H3+O=HCO+CH2 3.00E+13 .0 .0
C2H3+O2=CH2O+HCO 4.00E+12 .0 -250.0
C2H3+O2=C2H2+HO2 7.51E+14 -1.0 2376.0
C2H3+OH=C2H2+H2O 2.00E+13 .0 .0
C2H3+C2H=2C2H2 3.00E+13 .0 .0
C2H3+CH=CH2(3)+C2H2 5.00E+13 .0 .0
C2H3+CH3=C2H2+CH4 3.92E+11 .0 .0
C2H3+CH2=CH3+C2H2 1.81E+13 .0 .0
CH2(3)+C2H3=CH3+C2H2 1.81E+13 .0 .0
C2H2+M=C2H+H+M 4.20E+16 .0 107000.0
C2H2+O2=C2H+HO2 1.20E+13 .0 74475.0
C2H2+H=CH+CH2 1.02E+16 .0 125076.0
C2H+H2=C2H2+H 4.09E+05 2.4 864.0
C2H3+M=C2H2+H+M 3.00E+15 .0 32006.0
H2 /2.5/ H2O /16.0/ CO /1.9/ CO2 /3.8/ CH4 /16.0/ CH3OH /5.0/
C2H2+OH=C2H+H2O 3.37E+07 2.0 14000.0
C2H2+OH=HCCOH+H 5.04E+05 2.3 13500.0
C2H2+OH=CH2CO+H 2.18E-04 4.5 -1000.0
C2H2+OH=CH3+CO 4.83E-04 4.0 -2000.0
CH3OH+C2H=CH3O+C2H2 1.21E+12 .0 .0
CH3OH+C2H=CH2OH+C2H2 6.03E+12 .0 .0
C2H+CH4=C2H2+CH3 1.81E+12 .0 497.0
HCCO+CH=C2H2+CO 5.00E+13 .0 .0
HCCO+HCCO=C2H2+2CO 1.00E+13 .0 .0
HO2+C2H2=CH2CO+OH 6.03E+09 .0 7949.0
HCO+C2H=C2H2+CO 6.03E+13 .0 .0
C+CH3=C2H2+H 5.00E+13 .0 .0
CH2+C2H2=CH2(3)+C2H2 4.00E+13 .0 .0
CH2+CH2=C2H2+H2 3.01E+13 .0 .0
CH3O+C2H=CH2O+C2H2 2.41E+13 .0 .0
2CH2(3)=C2H2+2H 4.97E+12 .2 -150.0
2CH2(3)=C2H2+H2 4.02E+14 -.5 480.0
CH+CH2(3)=C2H2+H 2.50E+12 -3.7 4190.0
C2H+CH2OH=C2H2+CH2O 3.61E+13 .0 .0
C2H+C2H=C2H2+C2 1.81E+12 .0 .0
C2H+CH2=CH+C2H2 1.81E+13 .0 .0
C2H2+O=C2H+OH 3.16E+15 -.6 15000.0
C2H2+O=CH2(3)+CO 1.40E+06 2.1 1562.0
C2H2+O=HCCO+H 5.80E+06 2.1 1562.0
CH2(3)+C2H=CH+C2H2 1.81E+13 .0 .0
CH2CO+M=CH2(3)+CO+M 3.60E+15 .0 59235.0
H2 /2.5/ H2O /16.0/ CO /1.9/ CO2 /3.8/ CH4 /16.0/ CH3OH /5.0/
CH2CO+O=HCO+HCO 2.00E+13 .0 2293.0
CH2CO+O=CH2+CO2 1.75E+12 .0 1350.0
CH2CO+H=HCCO+H2 5.00E+13 .0 8000.0
CH2CO+O=HCCO+OH 1.00E+13 .0 8000.0
CH2O+CH=CH2CO+H 9.46E+13 .0 -515.0
CH2+CO=CH2CO 6.21E+08 .0 .0
CH2CO+OH=HCCO+H2O 7.50E+12 .0 2000.0
CH2CO+OH=CH2O+HCO 2.80E+13 .0 .0
CH2CO+OH=CH3O+CO 2.80E+13 .0 .0
HCCOH+H=CH2CO+H 1.00E+13 .0 .0
HCCO+H=CH2+CO 1.00E+14 .0 .0
HCCO+O=2CO+H 1.00E+14 .0 .0
HCCO+H=HCCOH 7.42E+38 -8.4 6150.0
HCCO+OH=C2O+H2O 3.00E+13 .0 .0
HCCO+O2=2CO+OH 1.46E+12 .0 2500.0
HO2+C2H=HCCO+OH 1.81E+13 .0 .0
C2H+O2=HCCO+O 5.00E+13 .0 1500.0
C2H+OH=HCCO+H 2.00E+13 .0 .0
C2H+M=C2+H+M 4.68E+16 .0 124000.0
C2H+O=CO+CH 5.00E+13 .0 .0
C2H+O2=HCO+CO 2.41E+12 .0 .0
C2H+O2=H+CO+CO 3.52E+13 .0 .0
C2H+OH=CH2+CO 1.81E+13 .0 .0
C2H+OH=C2+H2O 4.00E+07 2.0 8000.0
C+CH2(3)=C2H+H 5.00E+13 .0 .0
CH+CH2(3)=C2H+2H 5.49E+22 -2.4 11520.0
C2+H2=C2H+H 4.00E+05 2.4 1000.0
C2O+H=CH+CO 5.00E+13 .0 .0
C2O+O=CO+CO 5.00E+13 .0 .0
C2O+OH=CO+CO+H 2.00E+13 .0 .0
C2O+O2=2CO+O 2.00E+13 .0 .0
C2+OH=C2O+H 5.00E+13 .0 .0
C2+O2=2CO 5.00E+13 .0 .0
CH4+O2=CH3+HO2 7.94E+13 .0 56000.0
CH4+H=CH3+H2 5.47E+07 2.0 11210.0
CH4+OH=CH3+H2O 5.72E+06 2.0 2639.0
CH4+HO2=CH3+H2O2 1.81E+11 .0 18580.0
CH3OH+M=CH3+OH+M 3.50E+16 .0 66444.0
CH3OH+M=CH2OH+H+M 1.75E+15 .0 66444.0
CH3OH+M=CH2+H2O+M 7.00E+15 .0 66444.0
CH3OH+CH3=CH2OH+CH4 3.19E+01 3.2 7172.0
CH3OH+CH3=CH3O+CH4 1.45E+01 3.1 6935.0
CH3OH+HO2=H2O2+CH2OH 9.64E+10 .0 12579.0
CH3OH+O=OH+CH2OH 3.80E+05 2.5 3080.0
CH3OH+O=OH+CH3O 1.00E+13 .0 4684.0
CH3OH+O2=CH2OH+HO2 2.05E+13 .0 44717.0
CH3OH+OH=H2O+CH2OH 1.00E+13 .0 1697.0
CH3OH+OH=H2O+CH3O 1.00E+13 .0 1697.0
CH3OH+CH2OH=CH3OH+CH3O 7.83E+09 .0 12062.0
CH3OH+H=CH2OH+H2 3.98E+13 .0 6095.0
CH3OH+H=CH3O+H2 3.98E+13 .0 6095.0
CH3OH+CH2(3)=CH2OH+CH3 1.58E+12 .0 5736.0
CH3O+M=CH2O+H+M 9.37E+24 -2.7 30590.0
CH3O+H=CH2O+H2 2.00E+13 .0 .0
CH3O+OH=CH2O+H2O 1.00E+13 .0 .0
CH3O+O=CH2O+OH 1.00E+13 .0 .0
CH3O+O2=CH2O+HO2 6.30E+10 .0 2600.0
CH3O+HO2=CH2O+H2O2 3.01E+11 .0 .0
CH3O+CO=CH3+CO2 1.75E+13 .0 11797.0
CH2OH+M=CH2O+H+M 1.67E+24 -2.5 34190.0
CH2OH+O=CH2O+OH 1.00E+13 .0 .0
CH2OH+O2=CH2O+HO2 2.41E+14 .0 5000.0
CH2OH+OH=CH2O+H2O 1.00E+13 .0 .0
CH2OH+H=CH2O+H2 2.00E+13 .0 .0
CH2OH+HO2=CH2O+H2O2 1.20E+13 .0 .0
CH2OH+HCO=CH3OH+CO 1.20E+14 .0 .0
CH2OH+CH2O=CH3OH+HCO 5.54E+03 2.8 5682.0
2CH2OH=CH3OH+CH2O 4.82E+12 .0 .0
CH2OH+HCO=2CH2O 1.81E+14 .0 .0
CH3+M=CH+H2+M 6.90E+14 .0 82500.0
H+CH3(+M)=CH4(+M) 1.00E+17 -.8 315.0
LOW /.70000E+34 -.48800E+01 .22250E+04/
TROE /.70860E+00 .13400E+03 .17840E+04 .57400E+04/
H2 /2.0/ H2O /6.0/ CH4 /2.0/ CO /1.5/ CO2 /2.0/ C2H6 /3.0/ AR /0.7/
CH3+HO2=CH3O+OH 2.00E+13 .0 1076.0
CH3+O=CH2O+H 6.03E+13 .0 .0
CH3+O=CH3O 1.78E+14 -2.1 603.0
CH3+O2=CH3O+O 7.26E+11 .4 27363.0
CH3+O2=CH2OH+O 1.29E+13 .0 26900.0
CH3+OH=CH3OH 1.24E+43 -9.5 10471.0
CH3+OH=CH2OH+H 1.09E+11 .4 -708.0
CH3+OH=CH3O+H 8.93E+11 .0 13073.0
CH3+OH=CH2(3)+H2O 7.50E+06 2.0 5000.0
CH3+OH=CH2O+H2 3.98E+10 .0 8765.0
CH3+HO2=CH2OH+OH 2.00E+13 .0 .0
CH3+HCO=CH4+CO 1.20E+14 .0 .0
CH3+CH2OH=CH4+CH2O 2.41E+12 .0 .0
CH3+CH3O=CH4+CH2O 2.41E+13 .0 .0
CH3+CH2O=CH4+HCO 5.54E+03 2.8 5863.0
CH2(3)+H+M=CH3+M 2.40E+31 -4.4 .0
CH2(3)+H=CH+H2 1.00E+18 -1.6 .0
CH2(3)+O=CO+2H 5.00E+13 .0 .0
CH2(3)+O=CO+H2 3.00E+13 .0 .0
CH2(3)+O2=CO2+2H 1.60E+12 .0 1000.0
CH2(3)+O2=CH2O+O 5.00E+13 .0 9000.0
CH2(3)+O2=CO2+H2 6.90E+11 .0 500.0
CH2(3)+O2=CO+H2O 1.90E+10 .0 -1000.0
CH2(3)+O2=CO+OH+H 8.60E+10 .0 -500.0
CH2(3)+O2=HCO+OH 4.30E+10 .0 -500.0
CH2(3)+OH=CH+H2O 1.13E+07 2.0 3000.0
CH2(3)+OH=CH2O+H 2.50E+13 .0 .0
CH2(3)+CO2=CH2O+CO 1.10E+11 .0 1000.0
CH2+M=CH2(3)+M 1.00E+13 .0 .0
H /0./ H2O /0./ C2H2 /0.0/
CH2(3)+HCO=CH3+CO 1.81E+13 .0 .0
CH2(3)+CH3O=CH3+CH2O 1.81E+13 .0 .0
CH2+CH4=2CH3 4.00E+13 .0 .0
CH2+H2=CH3+H 7.00E+13 .0 .0
CH2+H2O=CH2(3)+H2O 3.00E+13 .0 .0
CH2+H=CH2(3)+H 2.00E+14 .0 .0
CH2+O=H+H+CO 3.00E+13 .0 .0
CH2+O=H2+CO 7.83E+12 .0 .0
CH2+O2=CO2+2H 7.83E+12 .0 .0
CH2+O2=O+CH2O 7.83E+12 .0 .0
CH2+O2=H2+CO2 7.83E+12 .0 .0
CH2+O2=H+CO+OH 7.83E+12 .0 .0
CH2+OH=CH2O+H 3.01E+13 .0 .0
CH2+H=CH+H2 3.01E+13 .0 .0
CH2+CO2=CH2O+CO 3.00E+12 .0 .0
CH2+HO2=CH2O+OH 3.01E+13 .0 .0
CH2+H2O2=CH3O+OH 3.01E+13 .0 .0
CH2+HCO=CO+CH3 1.81E+13 .0 .0
CH2+CH2O=HCO+CH3 1.20E+12 .0 .0
CH2+O=CH+OH 3.00E+14 .0 11923.0
CH2O+OH=HCO+H2O 3.43E+09 1.2 -447.0
CH2O+H=HCO+H2 2.19E+08 1.8 3000.0
CH2O+M=HCO+H+M 3.31E+16 .0 81000.0
CH2O+O=HCO+OH 1.80E+13 .0 3080.0
CH2O+O2=HO2+HCO 1.23E+06 3.0 52000.0
CH2O+HO2=HCO+H2O2 4.40E+06 2.0 12000.0
CH+O=C+OH 1.52E+13 .0 4732.0
CH+O=CO+H 5.70E+13 .0 .0
CH+O2=CO+OH 3.30E+13 .0 .0
CH+O2=HCO+O 3.30E+13 .0 .0
CH+OH=HCO+H 3.00E+13 .0 .0
CH+OH=C+H2O 4.00E+07 2.0 3000.0
CH+CO2=HCO+CO 3.40E+12 .0 690.0
CH+H=C+H2 1.50E+14 .0 .0
CH+H2O=CH2O+H 1.17E+15 -.8 .0
CH+H2O=CH2OH 5.71E+12 .0 -755.0
C+O2=CO+O 2.00E+13 .0 .0
C+OH=CO+H 5.00E+13 .0 .0
HCO+O=CO2+H 3.00E+13 .0 .0
HCO+O2=CO2+OH 3.31E+12 -.4 .0
HCO+HO2=CO2+OH+H 3.00E+13 .0 .0
HCO+CH3O=CH3OH+CO 9.04E+13 .0 .0
2HCO=CH2O+CO 4.50E+13 .0 .0
HCO+O2=CO+HO2 3.30E+13 -.4 .0
HCO+OH=CO+H2O 3.02E+13 .0 .0
HCO+M=H+CO+M 2.50E+14 .0 16802.0
HCO+H=CO+H2 2.00E+14 .0 .0
HCO+O=CO+OH 3.00E+13 .0 .0
2HCO=2CO+H2 3.01E+12 .0 .0
CO+O+M=CO2+M 2.51E+13 .0 -4540.0
CO+OH=CO2+H 3.09E+11 .0 735.0
CO+O2=CO2+O 2.51E+12 .0 47690.0
CO+HO2=CO2+OH 6.03E+13 .0 22950.0
H2O2+M=OH+OH+M 1.20E+17 .0 45500.0
H2O2+H=HO2+H2 4.79E+13 .0 7950.0
H2O2+H=OH+H2O 1.00E+13 .0 3590.0
H2O2+O=OH+HO2 9.55E+06 2.0 3970.0
H2O2+O=O2+H2O 9.55E+06 2.0 3970.0
HO2+H=H2O+O 3.00E+13 .0 1070.0
HO2+H=H2+O2 6.61E+13 .0 2130.0
HO2+H=OH+OH 1.40E+14 .0 1073.0
HO2+OH=H2O+O2 7.50E+12 .0 .0
HO2+HO2=H2O2+O2 2.00E+12 .0 .0
H2+OH=H2O+H 2.14E+08 1.5 3430.0
H2+O2=OH+OH 1.70E+13 .0 47780.0
H+O2=OH+O 1.91E+14 .0 16440.0
H+O2+M=HO2+M 3.61E+17 -.7 .0
H2O /18.6/ CO2 /4.2/ H2 /2.9/ CO /2.1/
2H+M=H2+M 1.00E+18 -1.0 .0
2H+H2=2H2 9.20E+16 -.6 .0
2H+H2O=H2+H2O 6.00E+19 -1.2 .0
2H+CO2=H2+CO2 5.49E+20 -2.0 .0
H+OH+M=H2O+M 2.24E+22 -2.0 .0
H+O+M=OH+M 6.02E+16 -.6 .0
H2O /5.0/
OH+H2O2=H2O+HO2 7.08E+12 .0 1430.0
OH+OH=O+H2O 1.23E+04 2.6 -1878.0
O+HO2=OH+O2 1.74E+13 .0 -400.0
O+H2=OH+H 5.13E+04 2.7 6290.0
O+O+M=O2+M 6.17E+15 -.5 .0
O+OH+M=HO2+M 1.00E+17 .0 .0
END

754
applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_c8h18_egr
View File

@ -1,754 +0,0 @@
ELEMENTS
H O C N AR
END
SPECIES
H H2 H2O H2O2 HO2 HCO HCCO
O O2 OH CO CO2 CH2O CH4
CH3 CH3O CH2CO CH2 CH CH3OH CH2OH
CH3CHO CH3CO C2H6 C2H5 C2H4 C2H3 C2H2
C2H C3H8 C3H6 C3H5 C3H4 C4H3 C4H2
C4H C4H10 IC4H7 C4H6 C5H10 C6H11 C6H12
C6H10 IC3H7 IC4H8 IC4H9 PC4H9 SC4H9
!
IC8H18 IC8H16 IC7H15
IC7H13 IC4H10 NC3H7 PC4H8
SC4H8 TC4H9 AC8H17 BC8H17 CC8H17 DC8H17 AC7H14
CC7H14 NEOC5H11 NEOC5H11O2 NEOC5H11O NEOC5H11O2H NEOC5H10OOH
R1C8H17OO R2C8H17OO C8H16OOH R1C8H16OOHOO R2C8H16OOHOO C8H15O4H2
C7H14CHO(OOH) C6H13CHO C6H13CO IC6H13
N2 N N2O NO NO2 AR
END
THERMO
CH3CHO 120186C 2O 1H 4 0G 0300.00 5000.00 1000.00 1
0.05868650E+02 0.01079424E+00-0.03645530E-04 0.05412912E-08-0.02896844E-12 2
-0.02264569E+06-0.06012946E+02 0.02505695E+02 0.01336991E+00 0.04671953E-04 3
-0.01128140E-06 0.04263566E-10-0.02124589E+06 0.01335089E+03 4
CH3CO T 9/92C 2H 3O 1 0G 200.000 6000.00 1000.0 1
0.59447731E+01 0.78667205E-02-0.28865882E-05 0.47270875E-09-0.28599861E-13 2
-0.37873075E+04-0.50136751E+01 0.41634257E+01-0.23261610E-03 0.34267820E-04 3
-0.44105227E-07 0.17275612E-10-0.26574529E+04 0.73468280E+01-0.12027167E+04 4
C3H6 PROPYLENE L 4/85C 3H 6 0 0G 300.000 5000.00 1000.0 1
0.67213974E 01 0.14931757E-01-0.49652353E-05 0.72510753E-09-0.38001476E-13 2
-0.92453149E 03-0.12155617E 02 0.14575157E 01 0.21142263E-01 0.40468012E-05 3
-0.16319003E-07 0.70475153E-11 0.10740208E 04 0.17399460E 02 0.24557265E 04 4
C3H5 SYMMETRIC T 9/96C 3H 5 0 0G 200.000 6000.00 1000.0 1
0.70094568D+01 0.13106629D-01-0.46533442D-05 0.74514323D-09-0.44350051D-13 2
0.16412909D+05-0.13946114D+02 0.14698036D+01 0.19034365D-01 0.14480425D-04 3
-0.35468652D-07 0.16647594D-10 0.18325831D+05 0.16724114D+02 0.19675772D+05 4
C3H8 PROPANE L 4/85C 3H 8 0 0G 300.000 5000.00 1000.0 1
0.75341368E 01 0.18872239E-01-0.62718491E-05 0.91475649E-09-0.47838069E-13 2
-0.16467516E 05-0.17892349E 02 0.93355381E 00 0.26424579E-01 0.61059727E-05 3
-0.21977499E-07 0.95149253E-11-0.13958520E 05 0.19201691E 02-0.12489986E 05 4
C3H4 ALLENE L 8/89C 3H 4 0 0G 200.000 6000.00 1000.0 1
0.63168722E+01 0.11133728E-01-0.39629378E-05 0.63564238E-09-0.37875540E-13 2
0.20117495E+05-0.10995766E+02 0.26130445E+01 0.12122575E-01 0.18539880E-04 3
-0.34525149E-07 0.15335079E-10 0.21541567E+05 0.10226139E+02 0.22962267E+05 4
C4H3 L 9/89C 4H 3 0 0G 300.000 5000.000 1000.00 1
0.84762079E+01 0.88782327E-02-0.30328412E-05 0.47358302E-09-0.27716627E-13 2
0.54756540E+05-0.17170551E+02 0.24173247E+01 0.24104782E-01-0.12813470E-04 3
-0.28606237E-08 0.39194527E-11 0.56506476E+05 0.14471107E+02 0.58181574E+05 4
C4H10 62090C 4H 10 0G 0300.00 4000.00 1500.00 1
0.01998785E+03 0.01037281E+00-0.09610818E-05-0.04623018E-08 0.08202828E-12 2
-0.02625571E+06-0.08837907E+03-0.02256618E+02 0.05881732E+00-0.04525783E-03 3
0.02037115E-06-0.04079458E-10-0.01760233E+06 0.03329595E+03 4
C4H7 2/14/95 C 4H 7 0 0G 300.000 5000.000 1392.00 1
0.90657617E+01 0.19477743E-01-0.73385554E-05 0.12863733E-08-0.85601393E-13 2
0.10187905E+05-0.24022063E+02-0.34391326E+01 0.67889035E-01-0.92118162E-04 3
0.75423011E-07-0.25411345E-10 0.13278011E+05 0.37956421E+02 0.14593283E+05 4
IC4H7 CH2=CHCHCH3 C 4H 70 00 0G 300.00 3000.00 1000.00 1
0.5521420E+01 0.2683684E-01 -0.1286430E-04 0.3088640E-08 -0.3030856E-12 2
0.1198044E+05 -0.4495640E+01 -0.1080514E+01 0.4638686E-01 -0.3464697E-04 3
0.1401374E-07 -0.2395040E-11 0.1375538E+05 0.2933150E+02 4
C5H10 12/52C 5H 10 0 0G 300.000 5000.000 1000.00 1
0.12541454E 02 0.23941070E-01-0.77445529E-05 0.11157970E-08-0.57968116E-13 2
-0.87175352E 04-0.39854187E 02 0.17627859E 01 0.38902789E-01 0.58380774E-05 3
-0.30547188E-07 0.13839465E-10-0.48109883E 04 0.19929169E 02-0.25594116E 04 4
C6H11 2/14/95 C 6H 11 0 0G 300.000 5000.000 1388.00 1
1.73781063E+01 2.52715626E-02-8.74710351E-06 1.36884407E-09-7.98569285E-14 2
1.33730775E+03-6.77269441E+01-1.78981302E+00 6.71660911E-02-4.34180588E-05 3
1.43931014E-08-1.96953043E-12 8.35230470E+03 3.63570478E+01 4
C6H10 C 6H 10N 0O 0G 300.00 5000.00 1000.00 1
0.12656940E+02 0.28236120E-01-0.10406250E-04 0.18530920E-08-0.12592180E-12 2
0.39164010E+04-0.38104860E+02-0.94988270E+00 0.60725200E-01-0.30414580E-04 3
-0.35837280E-08 0.64369670E-11 0.79947620E+04 0.33574390E+02 4
IC3H7 I-L 9/84C 3H 7 0 0G 300.000 5000.00 1000.0 1
0.65294638E 01 0.17193288E-01-0.57153220E-05 0.83408080E-09-0.43663532E-13 2
0.77179102E 04-0.91399021E 01 0.14461584E 01 0.20988975E-01 0.77172672E-05 3
-0.18481391E-07 0.71269024E-11 0.98206094E 04 0.20108200E 02 0.11221480E 05 4
IC4H8 5/27/97 THERMC 4H 8 0 0G 300.000 5000.000 1388.000 1
1.12258330E+01 1.81795798E-02-6.20348592E-06 9.61444458E-10-5.57088057E-14 2
-7.69983777E+03-3.73306704E+01 9.38433173E-01 3.90547287E-02-2.16437148E-05 3
5.87267077E-09-6.14435479E-13-3.74817891E+03 1.91442985E+01 4
IC4H9 9/19/91 THERMC 4H 9 0 0G 300.000 5000.000 1393.00 1
1.22753162E+01 1.95174006E-02-6.68773001E-06 1.03935193E-09-6.03374502E-14 2
1.69244882E+03-4.08932742E+01-1.00837472E+00 5.01087003E-02-3.41941210E-05 3
1.26025783E-08-1.97552053E-12 6.42407431E+03 3.07281021E+01 4
IC4H10 9/19/91 THERMC 4H 10 0 0G 300.000 5000.000 1389.00 1
1.25733114E+01 2.18926418E-02-7.52538350E-06 1.17205495E-09-6.81446681E-14 2
-2.31696746E+04-4.68044254E+01-1.01277508E+00 5.04683181E-02-3.00502072E-05 3
9.15435582E-09-1.15326683E-12-1.80495698E+04 2.74256872E+01 4
NC3H7 N-L 9/84C 3H 7 0 0G 300.000 5000.00 1000.0 1
0.77026987E 01 0.16044203E-01-0.52833220E-05 0.76298590E-09-0.39392284E-13 2
0.82984336E 04-0.15480180E 02 0.10515518E 01 0.25991980E-01 0.23800540E-05 3
-0.19609569E-07 0.93732470E-11 0.10631863E 05 0.21122559E 02 0.12087447E 05 4
IC8H18 4/85C 8.H 18. 0. 0.G 300.000 5000.00 1000.00 1
0.23503891E 02 0.39657507E-01-0.13128325E-04 0.19592787E-08-0.10658157E-12 2
-0.36518059E 05-0.95243149E 02 0.18952761E 01 0.69645584E-01 0.14661359E-04 3
-0.60905563E-07 0.26589383E-10-0.28789637E 05 0.24422028E 02-0.25107010E 05 4
IC8H16 12/52C 8.H 16. 0. 0.G 300.000 5000.00 1000.00 1
0.20831284E 02 0.38294513E-01-0.12417870E-04 0.17957589E-08-0.93705913E-13 2
-0.20133141E 05-0.79240051E 02 0.26075478E 01 0.64282537E-01 0.92502323E-05 3
-0.51046708E-07 0.23316557E-10-0.13597527E 05 0.21584656E 02-0.99738727E 04 4
IC7H15 10/83C 7H 15 0 0G 200.000 5000.00 1000.00 1
0.12660566E+02 0.47893065E-01-0.19735835E-04 0.37298693E-08-0.26299814E-12 2
-0.64258434E+04-0.34510489E+02 0.10280414E+02 0.70155356E-03 0.15955135E-03 3
-0.20959318E-06 0.83344532E-10-0.36030731E+04-0.10315257E+02 0.52799263E+03 4
IC6H13 10/83C 6H 13 0 0G 300.000 5000.00 1000.00 1
0.12759770E 02 0.37134279E-01-0.14256110E-04 0.25052556E-08-0.16459707E-12 2
-0.35693750E 04-0.36999527E 02 0.23062353E 01 0.50200045E-01 0.79387773E-05 3
-0.41260655E-07 0.18794369E-10 0.10269711E 03 0.20896637E 02 0.30188548E 04 4
C6H12 2/14/95 C 6.H 12.O 0. 0.G 300.000 5000.000 1
1.78337529e+01 2.67377658e-02-9.10036773e-06 1.40819768e-09-8.15124244e-14 2
-1.42062860e+04-6.83818851e+01-1.35275205e+00 6.98655426e-02-4.59408022e-05 3
1.56967343e-08-2.21296175e-12-7.34368617e+03 3.53120691e+01 4
PC4H8 6/83C 4H 8 0 0G 300.000 5000.00 1000.0 1
0.20535841E+01 0.34350507E-01-0.15883197E-04 0.33089662E-08-0.25361045E-12 2
-0.21397231E+04 0.15556360E+02 0.11811380E+01 0.30853380E-01 0.50865247E-05 3
-0.24654888E-07 0.11110193E-10-0.17904004E+04 0.21075639E+02-0.06494670E+03 4
SC4H8 6/83C 4H 8 0 0G 300.000 5000.00 1000.0 1
0.20535841E+01 0.34350507E-01-0.15883197E-04 0.33089662E-08-0.25361045E-12 2
-0.21397231E+04 0.15556360E+02 0.11811380E+01 0.30853380E-01 0.50865247E-05 3
-0.24654888E-07 0.11110193E-10-0.17904004E+04 0.21075639E+02-0.06494670E+03 4
IC7H13 2/10/95 C 7H 13 0 0G 300.000 5000.000 1392.000 1
2.06977799E+01 2.93585249E-02-9.99754351E-06 1.54773305E-09-8.96230815E-14 2
-1.23454647E+03-8.35627043E+01-2.01707658E+00 8.08915559E-02-5.43383904E-05 3
1.88066108E-08-2.66059253E-12 6.81102828E+03 3.89797235E+01 4
PC4H9 1/14/95 THERMC 4H 9 0 0G 300.000 5000.000 1395.00 1
1.21510082E+01 1.94310717E-02-6.61577950E-06 1.02375136E-09-5.92529707E-14 2
3.17231942E+03-3.93425822E+01-4.37779725E-01 4.78972364E-02-3.14023159E-05 3
1.09786472E-08-1.62010664E-12 7.68945248E+03 2.86852732E+01 4
SC4H9 1/14/95 THERMC 4H 9 0 0G 300.000 5000.000 1373.00 1
1.18293992E+01 1.94203812E-02-6.55835141E-06 1.00989031E-09-5.82693176E-14 2
1.79315973E+03-3.68210535E+01 7.70280143E-01 3.86280904E-02-1.57100260E-05 3
7.16860109E-10 7.00801289E-13 6.28812837E+03 2.49106489E+01 4
TC4H9 9/19/91 THERMC 4H 9 0 0G 300.000 5000.000 1381.00 1
9.94382112E+00 2.16693078E-02-7.47001405E-06 1.16578454E-09-6.78791834E-14 2
-4.06100251E+02-2.98153785E+01-2.73729204E+00 4.55390345E-02-2.26390939E-05 3
4.56951052E-09-1.55321795E-13 4.65498223E+03 4.04683378E+01 4
AC8H17 C 8H 17O 0 G 0300.00 5000.00 1000.00 1
1.65781E+01 4.79568E-02 -1.58330E-05 2.45887E-09 -1.47904E-13 2
-1.13886E+04 -5.77977E+01 -2.45792E+00 1.00416E-01 -5.52412E-05 3
8.18171E-10 7.48841E-12 -6.56307E+03 3.95814E+01 4
BC8H17 C 8H 17O 0 G 0300.00 5000.00 1000.00 1
1.62241E+01 4.79657E-02 -1.57712E-05 2.44271E-09 -1.46688E-13 2
-1.16619E+04 -5.66316E+01 -2.80712E+00 1.03796E-01 -6.59900E-05 3
1.23120E-08 3.42374E-12 -6.98775E+03 3.99281E+01 4
CC8H17 C 8H 17O 0 G 0300.00 5000.00 1000.00 1
1.54473E+01 4.88291E-02 -1.61009E-05 2.49663E-09 -1.49924E-13 2
-1.33788E+04 -5.27801E+01 -8.35087E-01 9.07781E-02 -3.96894E-05 3
-1.04780E-08 1.07794E-11 -9.15033E+03 3.11321E+01 4
DC8H17 C 8H 17O 0 G 0300.00 5000.00 1000.00 1
1.65979E+01 4.79226E-02 -1.58133E-05 2.45430E-09 -1.47533E-13 2
-1.27049E+04 -5.83133E+01 -2.57455E+00 1.01220E-01 -5.71585E-05 3
2.71860E-09 6.82038E-12 -7.85889E+03 3.96706E+01 4
AC7H14 12/52C 7H 14 0 0G 298.150 5000.00 1000.00 1
0.13952881E+02 0.41712158E-01-0.16157950E-04 0.29187538E-08-0.19958112E-12 2
-0.14853311E+05-0.43649205E+02 0.19140427E+01 0.58601697E-01 0.16939333E-05 3
-0.38140418E-07 0.18157007E-10-0.10616395E+05 0.22793909E+02-0.74928962E+04 4
CC7H14 12/52C 7H 14 0 0G 298.150 5000.00 1000.00 1
0.13952881E+02 0.41712158E-01-0.16157950E-04 0.29187538E-08-0.19958112E-12 2
-0.14853311E+05-0.43649205E+02 0.19140427E+01 0.58601697E-01 0.16939333E-05 3
-0.38140418E-07 0.18157007E-10-0.10616395E+05 0.22793909E+02-0.74928962E+04 4
NEOC5H11 8/ 8/95 THERMC 5H 11 0 0G 300.000 5000.000 1396.00 1
1.66238394E+01 2.27037884E-02-7.71624835E-06 1.19289853E-09-6.90060600E-14 2
-3.96463755E+03-6.44711904E+01-1.58140132E+00 6.57175067E-02-4.68120314E-05 3
1.74732793E-08-2.68709925E-12 2.30933742E+03 3.31296742E+01 4
NEOC5H11O2 7/13/98 C 5H 11O 2 0G 300.000 5000.000 1396.000 1
2.02157247e+01 2.45786365e-02-8.41704919e-06 1.30775217e-09-7.59095109e-14 2
-2.31877371e+04-8.01387611e+01 7.30403748e-01 7.05036948e-02-5.02866599e-05 3
1.89083885e-08-2.94948183e-12-1.64308023e+04 2.44155402e+01 4
NEOC5H11O2H 7/13/98 C 5H 12O 2 0G 300.000 5000.000 1399.000 1
2.26835440e+01 2.46838700e-02-8.47310667e-06 1.31876182e-09-7.66483771e-14 2
-4.12877712e+04-9.44344738e+01-1.38233642e-01 7.89911468e-02-5.79776533e-05 3
2.18789315e-08-3.35549515e-12-3.34973569e+04 2.77192466e+01 4
NEOC5H11O 7/25/95 C 5H 11O 1 0G 300.000 5000.000 1399.00 1
1.91195281e+01 2.30837786e-02-7.83941709e-06 1.21152000e-09-7.00727365e-14 2
-2.15314869e+04-7.85283647e+01-2.41265702e+00 7.56872456e-02-5.73116804e-05 3
2.24731318e-08-3.58123651e-12-1.43300707e+04 3.62184819e+01 4
NEOC5H10OOH 7/13/98 C 5H 11O 2 0G 300.000 5000.000 1398.000 1
2.22450472e+01 2.26188828e-02-7.78497419e-06 1.21384469e-09-7.06396166e-14 2
-1.62363251e+04-8.81677091e+01 5.91196875e-01 7.45002878e-02-5.55445714e-05 3
2.13010197e-08-3.32171399e-12-8.87531001e+03 2.76174107e+01 4
R1C8H17OO C 8H 17O 2 G 0300.00 5000.00 1000.00 1
2.61790E+01 4.02621E-02 -1.21840E-05 1.77416E-09 -1.01822E-13 2
-3.13354E+04 -1.06205E+02 -1.33130E+00 1.07392E-01 -5.66082E-05 3
-2.14473E-09 8.62014E-12 -2.33465E+04 3.80377E+01 4
R2C8H17OO C 8H 17O 2 G 0300.00 5000.00 1000.00 1
2.62593E+01 4.03680E-02 -1.22510E-05 1.78708E-09 -1.02664E-13 2
-3.33124E+04 -1.07806E+02 2.94226E+00 7.88952E-02 1.36336E-05 3
-7.23591E-08 3.30247E-11 -2.59761E+04 1.82269E+01 4
C8H16OOH C 8H 17O 2 G 0300.00 5000.00 1000.00 1
2.59673E+01 3.94986E-02 -1.17491E-05 1.69063E-09 -9.62759E-14 2
-2.86414E+04 -1.02359E+02 4.63771E+00 7.70682E-02 5.46587E-06 3
-6.02176E-08 2.84759E-11 -2.20723E+04 1.22966E+01 4
R1C8H16OOHOO C 8H 17O 4 G 0300.00 5000.00 1000.00 1
3.12917E+01 3.92720E-02 -1.14955E-05 1.63072E-09 -9.17048E-14 2
-4.28382E+04 -1.25286E+02 7.66149E-01 1.15621E-01 -6.49312E-05 3
3.70399E-10 8.77610E-12 -3.41337E+04 3.41493E+01 4
R2C8H16OOHOO C 8H 17O 4 G 0300.00 5000.00 1000.00 1
3.11894E+01 3.96996E-02 -1.17505E-05 1.68813E-09 -9.62085E-14 2
-4.47408E+04 -1.25460E+02 4.88546E+00 8.81941E-02 2.74357E-06 3
-6.72842E-08 3.22758E-11 -3.67468E+04 1.53975E+01 4
C8H15O4H2 C 8H 17O 4 G 0300.00 5000.00 1000.00 1
3.10304E+01 3.86064E-02 -1.11232E-05 1.56165E-09 -8.72809E-14 2
-4.01259E+04 -1.20761E+02 6.53997E+00 8.66547E-02 -6.12155E-06 3
-5.44439E-08 2.74796E-11 -3.28388E+04 9.64038E+00 4
C7H14CHO(OOH) C 8H 16O 3 G 0300.00 5000.00 1000.00 1
2.34007E+01 4.58018E-02 -1.53548E-05 2.41072E-09 -1.46115E-13 2
-5.82798E+04 -8.43852E+01 -1.22819E+00 1.10258E-01 -6.32868E-05 3
2.95991E-09 7.38667E-12 -5.15453E+04 4.31889E+01 4
C6H13CHO C 7H 14O 1 G 0300.00 5000.00 1000.00 1
1.98891043e+01 2.71869340e-02-9.27391515e-06 1.43744158e-09-8.33090761e-14 2
-3.97523444e+04-7.60741671e+01 1.37517192e+00 6.65669689e-02-4.04423050e-05 3
1.23836270e-08-1.52905857e-12-3.28740986e+04 2.48343934e+01 4
C6H13CO C 7H 13O 1 G 0300.00 5000.00 1000.00 1
1.94783812e+01 2.50466029e-02-8.54861346e-06 1.32557944e-09-7.68503296e-14 2
-2.07923937e+04-7.21995578e+01 2.14479069e+00 6.17863563e-02-3.74134690e-05 3
1.13283795e-08-1.36917698e-12-1.43451172e+04 2.23128045e+01 4
C5H11 T03/97C 5.H 11. 0. 0.G 298.150 5000.00 1000.00 1
1.13324106E+01 3.03659897E-02-1.13934480E-05 1.99539733E-09-1.32825012E-13 2
-5.95299959E+03-3.13564905E+01 3.57867617E+00 3.04236365E-02 3.27768270E-05 3
-5.86453147E-08 2.39315107E-11-2.60420265E+03 1.42591121E+01 6.68760000E+03 4
END
REACTIONS
H+O2=O+OH 5.13E+16 -0.8 16510.0 !1
H2+O=H+OH 1.82E+10 1.0 8900.0 !2
H2O+O=OH+OH 6.76E+13 0.0 18350.0 !3
H2O+H=H2+OH 9.55E+13 0.0 20300.0 !4
H2O2+OH=H2O+HO2 1.00E+13 0.0 1800.0 !5
H2O+M=H+OH+M 2.19E+16 0.0 105000.0 !6
H2O/2.0E+01/
H+O2+M=HO2+M 1.66E+15 0.0 -1000.0 !7
H2O/2.1E+01/ CO2/5.0E+00/ CO/2.00E+00/ H2/3.3E+00/
HO2+O=OH+O2 5.01E+13 0.0 1000.0 !8
HO2+H=OH+OH 2.51E+14 0.0 1900.0 !9
HO2+H=H2+O2 2.51E+13 0.0 700.0 !10
HO2+OH=H2O+O2 5.01E+13 0.0 1000.0 !11
H2O2+O2=HO2+HO2 3.98E+13 0.0 42640.0 !12
H2O2(+M)=OH+OH(+M) 3.00E+14 0.0 48500.0 !13
LOW /2.0E17 0. 48.5E3/
TROE /1.0 1.0 1.0E8/
H2/2/ H2O/12/ CO/1.9/ CO2/3.8/
H2O2+H=HO2+H2 1.70E+12 0.0 3750.0 !14
O+H+M=OH+M 1.00E+16 0.0 0.0 !15
O2+M=O+O+M 5.13E+15 0.0 115000.0 !16
H2+M=H+H+M 2.19E+14 0.0 96000.0 !17
H2O/6.0E+00/ H/2.0E+00/ H2/3.0E+00/
CO+OH=CO2+H 1.51E+07 1.3 -770.0 !18
CO+HO2=CO2+OH 1.51E+14 0.0 23650.0 !19
CO+O+M=CO2+M 5.89E+15 0.0 4100.0 !20
CO2+O=CO+O2 2.75E+12 0.0 43830.0 !21
HCO+OH=CO+H2O 1.00E+14 0.0 0.0 !22
HCO+M=H+CO+M 1.45E+14 0.0 19000.0 !23
HCO+H=CO+H2 2.00E+14 0.0 0.0 !24
HCO+O=CO+OH 1.00E+14 0.0 0.0 !25
!HCO+HO2=CH2O+O2 1.20E+13 0.0 3000.0 !26
CH2O+O2=HCO+HO2 6.200E+13 0.0 37000.0 !
HCO+O2=CO+HO2 3.98E+12 0.0 0.0 !27
CH2O+M=HCO+H+M 3.31E+16 0.0 81000.0 !28
CH2O+OH=HCO+H2O 3.59E+11 0.0 170.0 !29
CH2O+H=HCO+H2 3.31E+14 0.0 10500.0 !30
CH2O+O=HCO+OH 5.01E+13 0.0 4600.0 !31
CH2O+HO2=HCO+H2O2 2.00E+11 0.0 8000.0 !32
CH4+M=CH3+H+M 1.41E+17 0.0 88400.0 !33
CH4+H=CH3+H2 1.26E+14 0.0 11900.0 !34
CH4+OH=CH3+H2O 3.47E+03 3.1 2000.0 !35
CH4+O=CH3+OH 2.14E+06 2.2 6480.0 !36
CH4+HO2=CH3+H2O2 2.00E+13 0.0 18000.0 !37
CH3+HO2=CH3O+OH 3.64E+13 0.0 0.0 !38 3.24
CH4+CH2=CH3+CH3 4.00E+12 0.00 -570.0 !
CH3+OH=CH2O+H2 3.98E+12 0.0 0.0 !39
CH3+O=CH2O+H 1.29E+14 0.0 2000.0 !40
CH3+O2=CH3O+O 3.79E+13 0.0 30000.0 !41
CH3+O2=CH2O+OH 4.80E+10 0.0 9000.0 !
CH2O+CH3=CH4+HCO 1.00E+10 0.5 6000.0 !42
CH3+HCO=CH4+CO 3.02E+11 0.5 0.0 !43
CH3+HO2=CH4+O2 1.00E+12 0.0 400.0 !44
CH3O+M=CH2O+H+M 5.01E+13 0.0 21000.0 !45
CH3O+O2=CH2O+HO2 7.59E+10 0.0 2700.0 !46
!CH3+CH3 = C2H6 2.70D+53 -12.0 19400.0 !47
CH3+CH3 = C2H6 2.02E+16 -0.97 620.0 !
C2H6+CH3=C2H5+CH4 5.50E-01 4.0 8280.0 !48
C2H6+H=C2H5+H2 5.37E+02 3.5 5200.0 !49
C2H6+OH=C2H5+H2O 8.71E+09 1.1 1810.0 !50
C2H6+O=C2H5+OH 1.12E+14 0.0 7850.0 !51
C2H5+M=C2H4+H+M 2.00E+15 0.0 3000.0 !52
C2H5+O2=C2H4+HO2 1.00E+12 0.0 5000.0 !53
C2H4+C2H4=C2H5+C2H3 5.01E+14 0.0 64700.0 !54
C2H4+M=C2H2+H2 9.33E+16 0.0 77200.0 !55
C2H4+M=C2H3+H+M 6.31E+18 0.0 108720.0 !56
C2H4+O=CH3+HCO 3.31E+12 0.0 1130.0 !57
C2H4+O=CH2O+CH2 2.51E+13 0.0 5000.0 !58
C2H4+H=C2H3+H2 1.51E+07 2.0 6000.0 !59
C2H4+OH=C2H3+H2O 4.79E+12 0.0 1230.0 !60
C2H4+OH=CH3+CH2O 2.00E+12 0.0 960.0 !61
C2H3+M=C2H2+H+M 7.94E+14 0.0 31500.0 !62
C2H3+O2=C2H2+HO2 1.00E+12 0.0 10000.0 !63
C2H2+M=C2H+H+M 1.00E+14 0.0 114000.0 !64
C2H2+O2=HCO+HCO 3.98E+12 0.0 28000.0 !65
C2H2+H=C2H+H2 2.00E+14 0.0 19000.0 !66
C2H2+OH=C2H+H2O 6.03E+12 0.0 7000.0 !67
C2H2+OH=CH2CO+H 3.24E+11 0.0 200.0 !68
C2H2+O=C2H+OH 3.24E+15 -0.6 17000.0 !69
C2H2+O=CH2+CO 6.76E+13 0.0 4000.0 !70
C2H+O2=HCO+CO 1.00E+13 0.0 7000.0 !71
C2H+O=CO+CH 5.01E+13 0.0 0.0 !72
CH2+O2=HCO+OH 1.00E+14 0.0 3700.0 !73
CH2+O=CH+OH 1.91E+11 0.7 25000.0 !74
CH2+H=CH+H2 2.69E+11 0.7 25700.0 !75
CH2+OH=CH+H2O 2.69E+11 0.7 25700.0 !76
CH+O2=CO+OH 1.35E+11 0.7 25700.0 !77
CH+O2=HCO+O 1.00E+13 0.0 0.0 !78
CH3OH+M=CH3+OH+M 3.02E+17 0.0 80000.0 !79
CH3OH+OH=CH2OH+H2O 3.98E+12 0.0 1370.0 !80
CH3OH+O=CH2OH+OH 1.70E+12 0.0 2290.0 !81
CH3OH+H=CH2OH+H2 3.02E+13 0.0 7000.0 !82
CH3OH+H=CH3+H2O 5.25E+12 0.0 5340.0 !83
CH3OH+CH3=CH2OH+CH4 1.82E+11 0.0 9800.0 !84
CH3OH+HO2=CH2OH+H2O2 6.31E+12 0.0 19360.0 !85
CH2OH+M=CH2O+H+M 2.51E+13 0.0 29000.0 !86
CH2OH+O2=CH2O+HO2 8.31E+11 0.0 0.0 !87
C2H2+C2H2=C4H3+H 1.00E+13 0.0 45000.0 !88
C4H3+M=C4H2+H+M 1.00E+16 0.0 60000.0 !89
C2H2+C2H=C4H2+H 3.98E+13 0.0 0.0 !90
C4H2+M=C4H+H+M 3.47E+17 0.0 80000.0 !91
C2H3+H=C2H2+H2 2.00E+13 0.0 2500.0 !92
C3H8=CH3+C2H5 1.70E+16 0.0 84840.0 !93
CH3+C3H8=CH4+IC3H7 1.10E+15 0.0 25140.0 !94
CH3+C3H8=CH4+NC3H7 1.10E+15 0.0 25140.0 !95
H+C3H8=H2+IC3H7 8.71E+06 2.0 5000.0 !96
H+C3H8=H2+NC3H7 5.62E+07 2.0 7700.0 !97
IC3H7=H+C3H6 6.31E+13 0.0 36900.0 !98
IC3H7=CH3+C2H4 2.00E+10 0.0 29500.0 !99
NC3H7=CH3+C2H4 9.55E+13 0.0 31000.0 !100
NC3H7=H+C3H6 1.26E+14 0.0 37000.0 !101
IC3H7+C3H8=NC3H7+C3H8 3.02E+10 0.0 12900.0 !102
C2H3+C3H8=C2H4+IC3H7 1.00E+11 0.0 10400.0 !103
C2H3+C3H8=C2H4+NC3H7 1.00E+11 0.0 10400.0 !104
C2H5+C3H8=C2H6+IC3H7 1.00E+11 0.0 10400.0 !105
C2H5+C3H8=C2H6+NC3H7 1.00E+11 0.0 10400.0 !106
C3H8+O=IC3H7+OH 2.81E+13 0.0 5200.0 !107
C3H8+O=NC3H7+OH 1.12E+14 0.0 7850.0 !108
C3H8+OH=IC3H7+H2O 4.79E+08 1.4 850.0 !109
C3H8+OH=NC3H7+H2O 5.75E+08 1.4 850.0 !110
C3H8+HO2=IC3H7+H2O2 3.39E+12 0.0 17000.0 !111
C3H8+HO2=NC3H7+H2O2 1.12E+13 0.0 19400.0 !112
C3H6+O=C2H4+CH2O 6.76E+04 2.6 -1130.0 !113
IC3H7+O2=C3H6+HO2 1.00E+12 0.0 5000.0 !114
NC3H7+O2=C3H6+HO2 1.00E+12 0.0 5000.0 !115
C3H8+O2=IC3H7+HO2 3.98E+13 0.0 47500.0 !116
C3H8+O2=NC3H7+HO2 3.98E+13 0.0 47500.0 !117
C3H6+OH=C2H5+CH2O 1.00E+12 0.0 0.0 !118
C3H6+O=C2H5+HCO 6.76E+04 2.6 -1130.0 !119
C3H6+OH=CH3+CH3CHO 1.00E+12 0.0 0.0 !120
C3H6+O=CH3+CH3CO 6.67E+04 2.6 -1130.0 !121
CH3CHO+H=CH3CO+H2 3.98E+13 0.0 4200.0 !122
CH3CHO+OH=CH3CO+H2O 1.00E+13 0.0 0.0 !123
CH3CHO+O=CH3CO+OH 5.01E+12 0.0 1790.0 !124
CH3CHO+CH3=CH3CO+CH4 1.73E+12 0.0 8440.0 !125
CH3CHO+HO2=CH3CO+H2O2 1.70E+12 0.0 10700.0 !126 1.70
CH3CHO=CH3+HCO 7.08E+15 0.0 81780.0 !127
CH3CHO+O2=CH3CO+HO2 2.00E+13 0.5 42200.0 !128
CH3CO+M=CH3+CO+M 4.37E+15 0.0 10500.0 !129
C3H6+H=C3H5+H2 5.01E+12 0.0 1500.0 !130
C3H6+CH3=C3H5+CH4 1.58E+12 0.0 8800.0 !131
C3H6+C2H5=C3H5+C2H6 1.00E+12 0.0 9800.0 !132
C3H6+OH=C3H5+H2O 2.00E+11 0.0 3060.0 !133
C3H8+C3H5=IC3H7+C3H6 2.00E+11 0.0 16100.0 !134
C3H8+C3H5=NC3H7+C3H6 7.94E+11 0.0 20500.0 !135
C3H5=C3H4+H 3.98E+13 0.0 70000.0 !136
C3H5=C2H2+CH3 2.397E+48 -9.90 8.208E+04
C3H5+O2=C3H4+HO2 6.03E+11 0.0 10000.0 !137 10000.
PC4H8=C3H5+CH3 1.51E+19 -1.0 73400.0 !138
PC4H8=C2H3+C2H5 1.00E+19 -1.0 96770.0 !139
PC4H8+O=CH3CHO+C2H4 1.29E+13 0.0 850.0 !140
PC4H8+O=CH3CO+C2H5 1.29E+13 0.0 850.0 !141
PC4H8+OH=CH3CHO+C2H5 1.00E+11 0.0 0.0 !142
PC4H8+OH=CH3CO+C2H6 1.00E+10 0.0 0.0 !143
C3H4+O=CH2O+C2H2 1.00E+12 0.0 0.0 !144
C3H4+O=HCO+C2H3 1.00E+12 0.0 0.0 !145
C3H4+OH=CH2O+C2H3 1.00E+12 0.0 0.0 !146
C3H4+OH=HCO+C2H4 1.00E+12 0.0 0.0 !147
C3H6=C3H5+H 1.00E+13 0.0 78000.0 !148
C2H2+O=HCCO+H 3.55E+04 2.7 1390.0 !149
CH2CO+H=CH3+CO 1.10E+13 0.0 3400.0 !150
CH2CO+O=HCO+HCO 1.00E+13 0.0 2400.0 !151
CH2CO+OH=CH2O+HCO 2.82E+13 0.0 0.0 !152
CH2CO+M=CH2+CO+M 2.00E+16 0.0 60000.0 !153
CH2CO+O=HCCO+OH 5.01E+13 0.0 8000.0 !154
CH2CO+OH=HCCO+H2O 7.59E+12 0.0 3000.0 !155
CH2CO+H=HCCO+H2 7.59E+13 0.0 8000.0 !156
HCCO+OH=HCO+HCO 1.00E+13 0.0 0.0 !157
HCCO+H=CH2+CO 5.01E+13 0.0 0.0 !158
HCCO+O=HCO+CO 3.39E+13 0.0 2000.0 !159
C3H6=C2H3+CH3 6.31E+15 0.0 85800.0 !160
C3H5+H=C3H4+H2 1.00E+13 0.0 0.0 !161
C3H5+CH3=C3H4+CH4 1.00E+12 0.0 0.0 !162
C2H6+O2=C2H5+HO2 1.00E+13 0.0 51000.0 !163
C2H6+HO2=C2H5+H2O2 1.12E+13 0.0 19400.0 !164
CH3+C2H3=CH4+C2H2 1.00E+12 0.0 0.0 !165
CH3+C2H5=CH4+C2H4 7.94E+11 0.0 0.0 !166
C2H5+C3H5=C3H6+C2H4 1.26E+12 0.0 0.0 !167
C2H5+C2H5=C2H6+C2H4 5.01E+11 0.0 0.0 !168
CH3OH+CH2O=CH3O+CH3O 1.55E+12 0.0 79570.0 !169
CH2O+CH3O=CH3OH+HCO 6.03E+11 0.0 3300.0 !170
CH4+CH3O=CH3OH+CH3 2.00E+11 0.0 7000.0 !171
C2H6+CH3O=CH3OH+C2H5 3.02E+11 0.0 7000.0 !172
C3H8+CH3O=CH3OH+IC3H7 3.02E+11 0.0 7000.0 !173
C3H8+CH3O=CH3OH+NC3H7 3.02E+11 0.0 7000.0 !174
C4H10=C2H5+C2H5 2.00E+16 0.0 81300.0 !175
C4H10=NC3H7+CH3 1.00E+17 0.0 85400.0 !176
C4H10+O2=PC4H9+HO2 2.51E+13 0.0 49000.0 !177
C4H10+O2=SC4H9+HO2 3.98E+13 0.0 47600.0 !178
C4H10+H=PC4H9+H2 5.62E+07 2.0 7700.0 !179
C4H10+H=SC4H9+H2 1.74E+07 2.0 5000.0 !180
C4H10+OH=PC4H9+H2O 8.71E+09 1.1 1810.0 !181
C4H10+OH=SC4H9+H2O 2.57E+09 1.3 700.0 !182
C4H10+O=PC4H9+OH 1.12E+14 0.0 7850.0 !183
C4H10+O=SC4H9+OH 5.62E+13 0.0 5200.0 !184
C4H10+CH3=PC4H9+CH4 1.29E+12 0.0 11600.0 !185
C4H10+CH3=SC4H9+CH4 7.94E+11 0.0 9500.0 !186
C4H10+C2H3=PC4H9+C2H4 1.00E+12 0.0 18000.0 !187
C4H10+C2H3=SC4H9+C2H4 7.94E+11 0.0 16800.0 !188
C4H10+C2H5=PC4H9+C2H6 1.00E+11 0.0 13400.0 !189
C4H10+C2H5=SC4H9+C2H6 1.00E+11 0.0 10400.0 !190
C4H10+C3H5=PC4H9+C3H6 7.94E+11 0.0 20500.0 !191
C4H10+C3H5=SC4H9+C3H6 3.16E+11 0.0 16400.0 !192
C4H10+HO2=PC4H9+H2O2 1.12E+13 0.0 19400.0 !193
C4H10+HO2=SC4H9+H2O2 6.76E+12 0.0 17000.0 !194
C4H10+CH3O=PC4H9+CH3OH 3.02E+11 0.0 7000.0 !195
C4H10+CH3O=SC4H9+CH3OH 6.03E+11 0.0 7000.0 !196
PC4H9=C2H5+C2H4 2.51E+13 0.0 28800.0 !197
PC4H9=PC4H8+H 1.26E+13 0.0 38600.0 !198
PC4H9+O2=PC4H8+HO2 1.00E+12 0.0 2000.0 !199
SC4H9=SC4H8+H 5.01E+12 0.0 37900.0 !200
SC4H9=PC4H8+H 2.00E+13 0.0 40400.0 !201
!SC4H9=C3H6+CH3 2.00E+14 0.0 33200.0 !202
SC4H9=C3H6+CH3 2.232E+17 -1.40 30830.0 !202
SC4H9+O2=PC4H8+HO2 1.00E+12 0.0 4500.0 !203
SC4H9+O2=SC4H8+HO2 2.00E+12 0.0 4250.0 !204
PC4H8=IC4H7+H 4.07E+18 -1.0 97350.0 !205
SC4H8=IC4H7+H 4.07E+18 -1.0 97350.0 !206
PC4H8+H=IC4H7+H2 5.01E+13 0.0 3900.0 !207
SC4H8+H=IC4H7+H2 5.01E+13 0.0 3800.0 !208
PC4H8+OH=IC4H7+H2O 1.41E+13 0.0 3060.0 !209
SC4H8+OH=IC4H7+H2O 2.29E+13 0.0 3060.0 !210
PC4H8+CH3=IC4H7+CH4 1.00E+11 0.0 7300.0 !211
SC4H8+CH3=IC4H7+CH4 1.00E+11 0.0 8200.0 !212
PC4H8+O=C3H6+CH2O 5.01E+12 0.0 0.0 !213
SC4H8+O=IC3H7+HCO 6.03E+12 0.0 0.0 !214
SC4H8+O=C2H4+CH3CHO 1.00E+12 0.0 0.0 !215
PC4H8+OH=NC3H7+CH2O 1.51E+12 0.0 0.0 !216
SC4H8+OH=C2H5+CH3CHO 3.02E+12 0.0 0.0 !217
IC4H7=C4H6+H 1.20E+14 0.0 49300.0 !218
IC4H7=C2H4+C2H3 1.00E+11 0.0 37000.0 !219
IC4H7+O2=C4H6+HO2 1.00E+11 0.0 0.0 !220
IC4H7+H=C4H6+H2 3.16E+13 0.0 0.0 !221
IC4H7+C2H3=C4H6+C2H4 3.98E+12 0.0 0.0 !222
IC4H7+C2H5=C4H6+C2H6 3.98E+12 0.0 0.0 !223
IC4H7+C2H5=PC4H8+C2H4 5.01E+11 0.0 0.0 !224
IC4H7+C2H5=SC4H8+C2H4 5.01E+11 0.0 0.0 !225
IC4H7+C3H5=C4H6+C3H6 6.31E+12 0.0 0.0 !226
C4H6=C2H3+C2H3 3.98E+19 -1.0 98150.0 !227
C4H6+OH=C2H5+CH2CO 1.00E+12 0.0 0.0 !228
C4H6+OH=C3H5+CH2O 1.00E+12 0.0 0.0 !229
C4H6+OH=C2H3+CH3CHO 1.00E+12 0.0 0.0 !230
C4H6+O=C2H4+CH2CO 1.00E+12 0.0 0.0 !231
C4H6+O=C3H4+CH2O 1.00E+12 0.0 0.0 !232
C2H3+C2H4=C4H6+H 5.01E+11 0.0 7300.0 !233
C5H10=CH3+IC4H7 1.00E+19 -1.0 81550.0 !234
C5H10+O=PC4H8+CH2O 8.51E+12 0.0 0.0 !235
C5H10+O=C3H6+CH3CHO 8.51E+12 0.0 0.0 !236
C5H10+OH=PC4H9+CH2O 1.00E+12 0.0 0.0 !237
C5H10+OH=NC3H7+CH3CHO 1.00E+12 0.0 0.0 !238
C2H5+H=CH3+CH3 3.16E+13 0.0 0.0 !239
CH3OH+O2=CH2OH+HO2 3.98E+13 0.0 50900.0 !240
C2H4+O2=C2H3+HO2 3.98E+13 0.0 61500.0 !241
C2H4+CH3=C2H3+CH4 1.00E+13 0.0 13000.0 !242
C3H6+O2=C3H5+HO2 1.00E+14 0.0 39000.0 !243
! forward and backward
IC8H18=TC4H9+IC4H9 2.00E+16 0.0 78000.0 !244
! REV /1.00E+12 0.0 0.0 /
IC8H18=IC3H7+NEOC5H11 2.00E+16 0.0 78000.0 !245 2.00E+16
! REV /1.00E+12 0.0 0.0 /
IC8H18+H=AC8H17+H2 8.51E+07 2.0 7700.0 !246
! REV /1.00E+12 0.0 30000.0 /
IC8H18+H=BC8H17+H2 8.91E+07 2.0 5000.0 !247
! REV /1.00E+12 0.0 30000.0 /
IC8H18+H=CC8H17+H2 1.26E+13 0.0 7300.0 !248
! REV /1.00E+12 0.0 30000.0 /
IC8H18+H=DC8H17+H2 5.62E+07 2.0 7700.0 !249
! REV /1.00E+12 0.0 30000.0 /
IC8H18+O=AC8H17+OH 1.51E+13 0.0 7850.0 !250
! REV /1.00E+12 0.0 30000.0 /
IC8H18+O=BC8H17+OH 4.82E+13 0.0 5200.0 !251
! REV /1.00E+12 0.0 30000.0 /
IC8H18+O=CC8H17+OH 1.00E+13 0.0 3280.0 !252
! REV /1.00E+12 0.0 30000.0 /
IC8H18+O=DC8H17+OH 1.00E+13 0.0 7850.0 !253
! REV /1.00E+12 0.0 30000.0 /
IC8H18+OH=AC8H17+H2O 1.29E+10 1.1 1810.0 !254
! REV /1.00E+12 0.0 30000.0 /
IC8H18+OH=BC8H17+H2O 1.29E+09 1.3 700.0 !255
! REV /1.00E+12 0.0 30000.0 /
IC8H18+OH=CC8H17+H2O 1.95E+12 0.0 440.0 !256
! REV /1.00E+12 0.0 30000.0 /
IC8H18+OH=DC8H17+H2O 8.71E+09 1.1 1810.0 !257
! REV /1.00E+12 0.0 30000.0 /
IC8H18+O2=AC8H17+HO2 3.72E+13 0.0 49000.0 !258
! REV /1.00E+12 0.0 30000.0 /
IC8H18+O2=BC8H17+HO2 2.00E+13 0.0 48000.0 !259
! REV /1.00E+12 0.0 30000.0 /
IC8H18+O2=CC8H17+HO2 2.00E+12 0.0 46000.0 !260
! REV /1.00E+12 0.0 30000.0 /
IC8H18+O2=DC8H17+HO2 2.51E+13 0.0 49000.0 !261
! REV /1.00E+12 0.0 30000.0 /
IC8H18+HO2=AC8H17+H2O2 1.70E+13 0.0 19400.0 !262
! REV /1.00E+12 0.0 0.0 /
IC8H18+HO2=BC8H17+H2O2 3.39E+12 0.0 17000.0 !263
! REV /1.00E+12 0.0 0.0 /
IC8H18+HO2=CC8H17+H2O2 2.02E+12 0.0 14400.0 !264
! REV /1.00E+12 0.0 0.0 /
IC8H18+HO2=DC8H17+H2O2 1.12E+13 0.0 19400.0 !265
! REV /1.00E+12 0.0 0.0 /
IC8H18+CH3=AC8H17+CH4 1.17E+13 0.0 11600.0 !266
! REV /1.00E+12 0.0 0.0 /
IC8H18+CH3=BC8H17+CH4 2.40E+12 0.0 9500.0 !267
! REV /1.00E+12 0.0 0.0 /
IC8H18+CH3=CC8H17+CH4 2.00E+12 0.0 7900.0 !268
! REV /1.00E+12 0.0 0.0 /
IC8H18+CH3=DC8H17+CH4 7.76E+12 0.0 11600.0 !269
! REV /1.00E+12 0.0 0.0 /
AC8H17=AC7H14+CH3 4.00E+13 0.0 31000.0 !270
! REV /6.31E+09 0.0 7000.0 /
AC8H17=IC4H8+IC4H9 1.09E+13 0.0 27600.0 !271 1.29
! REV /1.00E+11 0.0 8000.0 /
BC8H17=CC7H14+CH3 1.00E+13 0.0 31000.0 !272 1.0
! REV /6.31E+10 0.0 7000.0 /
CC8H17=IC4H8+IC4H9 1.01E+13 0.0 30700.0 !273
! REV /1.00E+11 0.0 8000.0 /
CC8H17=IC8H16+H 1.00E+13 0.0 38000.0 !274
! REV /1.00E+10 0.0 1500.0 /
DC8H17=AC7H14+CH3 1.26E+13 0.0 32800.0 !275
! REV /6.31E+09 0.0 7000.0 /
DC8H17=C3H6+NEOC5H11 3.29E+13 0.0 28700.0 !276 1.29
! REV /1.00E+10 0.0 1500.0 /
DC8H17=IC8H16+H 3.31E+13 0.0 36000.0 !277
! REV /1.00E+10 0.0 1500.0 /
AC8H17+O2=IC8H16+HO2 1.51E+10 0.0 10000.0 !278
! REV /2.00E+11 0.0 20000.0 /
BC8H17+O2=IC8H16+HO2 1.00E+10 0.0 10000.0 !279
! REV /2.00E+11 0.0 20000.0 /
CC8H17+O2=IC8H16+HO2 1.00E+10 0.0 10000.0 !280
! REV /2.00E+11 0.0 20000.0 /
DC8H17+O2=IC8H16+HO2 1.00E+10 0.0 10000.0 !281
! REV /2.00E+11 0.0 20000.0 /
IC8H16+O=IC4H8+IC4H7+OH 2.82E+13 0.0 5200.0 !282
IC8H16+OH=IC4H8+IC4H7+H2O 1.29E+09 1.3 700.0 !283
IC8H16+O=IC7H15+HCO 1.00E+11 0.0 0.0 !284
! REV /1.00E+10 0.0 30000.0 /
IC7H15=IC4H8+IC3H7 2.51E+13 0.0 28000.0 !285
! REV /3.98E+10 0.0 6900.0 /
IC7H15=AC7H14+H 3.98E+13 0.0 40000.0 !286
! REV /1.58E+13 0.0 1200.0 /
IC7H15=TC4H9+C3H6 2.51E+13 0.0 28200.0 !287
! REV /1.20E+11 0.0 8000.0 /
IC7H15=CC7H14+H 3.98E+13 0.0 40400.0 !288
! REV /1.58E+13 0.0 1200.0 /
AC7H14+H=IC7H13+H2 2.82E+13 0.0 4000.0 !289
! REV /1.00E+12 0.0 14000.0 /
CC7H14+H=IC7H13+H2 5.62E+13 0.0 4000.0 !290
! REV /1.00E+12 0.0 14000.0 /
AC7H14+O=IC7H13+OH 5.13E+05 2.6 -1100.0 !291
! REV /1.41E+12 0.0 30000.0 /
CC7H14+O=IC7H13+OH 5.13E+05 2.6 -1100.0 !292
! REV /1.41E+12 0.0 30000.0 /
AC7H14+OH=IC7H13+H2O 1.35E+14 0.0 3100.0 !293
! REV /1.00E+13 0.0 27000.0 /
CC7H14+OH=IC7H13+H2O 1.35E+14 0.0 3100.0 !294 14
! REV /1.00E+13 0.0 27000.0 /
AC7H14+O=IC6H13+HCO 2.00E+11 0.0 0.0 !295
! REV /1.00E+12 0.0 30000.0 /
CC7H14+O=NEOC5H11+CH3CO 1.00E+12 0.0 0.0 !296
! REV /1.00E+12 0.0 30000.0 /
AC7H14+OH=IC6H13+CH2O 1.00E+11 0.0 0.0 !297
! REV /5.01E+12 0.0 27000.0 /
AC7H14+OH=NEOC5H11+CH3CHO 1.00E+12 0.0 0.0 !298
! REV /1.00E+12 0.0 27000.0 /
IC8H16=IC4H7+TC4H9 2.51E+16 0.0 71000.0 !299
! REV /1.00E+13 0.0 0.0 /
IC8H16=C6H11+C2H5 2.51E+16 0.0 71000.0 !300
! REV /1.00E+13 0.0 0.0 /
AC7H14=IC4H7+IC3H7 5.01E+16 0.0 71000.0 !301
! REV /1.00E+13 0.0 0.0 /
AC7H14=TC4H9+C3H5 2.51E+16 0.0 71000.0 !302
! REV /1.00E+13 0.0 0.0 /
CC7H14=C6H11+CH3 2.51E+16 0.0 71000.0 !303 16
! REV /1.00E+13 0.0 0.0 /
IC8H16+OH=IC7H15+CH2O 1.00E+11 0.0 0.0 !304
! REV /1.00E+12 0.0 0.0 /
IC7H13=IC4H8+C3H5 5.01E+13 0.0 30000.0 !305
! REV /1.26E+11 0.0 17000.0 /
IC7H13=IC4H7+C3H6 5.01E+13 0.0 30000.0 !306
! REV /1.26E+11 0.0 17000.0 /
IC7H13=C6H10+CH3 2.00E+14 0.0 32800.0 !307
! REV /6.46E+11 0.0 9100.0 /
IC6H13=IC3H7+C3H6 2.51E+13 0.0 28200.0 !308
! REV /3.98E+10 0.0 6900.0 /
IC6H13=TC4H9+C2H4 2.51E+13 0.0 28800.0 !309
! REV /3.98E+10 0.0 6900.0 /
IC6H13=IC4H9+C2H4 2.51E+13 0.0 28800.0 !310
! REV /3.98E+10 0.0 6900.0 /
C6H11=C3H5+C3H6 2.51E+13 0.0 30000.0 !311
! REV /6.31E+10 0.0 17000.0 /
C6H11=C6H10+H 1.26E+14 0.0 49300.0 !312
! REV /7.94E+12 0.0 1200.0 /
C6H11+O2=C6H10+HO2 1.00E+11 0.0 0.0 !313
! REV /1.00E+11 0.0 17000.0 /
C6H10=C3H5+C3H5 5.07E+15 0.0 72800.0 !314
! REV /6.31E+12 0.0 0.0 /
NEOC5H11=IC4H8+CH3 1.00E+11 0.0 26000.0 !315
! REV /1.00E+11 0.0 7200.0 /
IC4H10=IC3H7+CH3 2.00E+17 0.0 83400.0 !316
! REV /1.58E+13 0.0 0.0 /
IC4H10=TC4H9+H 1.00E+15 0.0 83400.0 !317
! REV /1.00E+11 0.0 0.0 /
IC4H10=IC4H9+H 1.00E+15 0.0 83400.0 !318
! REV /1.00E+11 0.0 0.0 /
IC4H10+H=TC4H9+H2 1.26E+14 0.0 7300.0 !319
! REV /1.00E+12 0.0 16000.0 /
IC4H10+H=IC4H9+H2 1.00E+14 0.0 8400.0 !320
! REV /3.16E+12 0.0 15700.0 /
IC4H10+OH=TC4H9+H2O 1.95E+12 0.0 440.0 !321
! REV /3.98E+12 0.0 22000.0 /
IC4H10+OH=IC4H9+H2O 4.90E+03 0.0 -700.0 !322
! REV /8.91E+03 3.0 20800.0 /
IC4H10+O=TC4H9+OH 1.10E+13 0.0 3280.0 !323
! REV /2.00E+12 0.0 9600.0 /
IC4H10+O=IC4H9+OH 3.16E+13 0.0 5760.0 !324
! REV /2.00E+12 0.0 9600.0 /
IC4H10+CH3=TC4H9+CH4 1.00E+11 0.0 7900.0 !325
! REV /2.00E+11 0.0 21000.0 /
IC4H10+CH3=IC4H9+CH4 8.91E+11 0.0 10340.0 !326
! REV /2.00E+11 0.0 15000.0 /
IC4H10+HO2=TC4H9+H2O2 3.16E+12 0.0 14400.0 !327
! REV /3.16E+12 0.0 7400.0 /
IC4H10+HO2=IC4H9+H2O2 1.70E+13 0.0 19400.0 !328
! REV /3.16E+12 0.0 7400.0 /
IC4H10+O2=TC4H9+HO2 2.00E+12 0.0 46000.0 !329
! REV /2.00E+12 0.0 2000.0 /
IC4H10+O2=IC4H9+HO2 3.72E+13 0.0 49000.0 !330
! REV /2.00E+12 0.0 2000.0 /
IC4H10+C2H5=TC4H9+C2H6 1.00E+11 0.0 7900.0 !331
! REV /3.02E+11 0.0 21000.0 /
IC4H10+C2H5=IC4H9+C2H6 1.51E+12 0.0 10400.0 !332
! REV /3.16E+11 0.0 12300.0 /
IC4H9=C3H6+CH3 1.00E+14 0.0 32800.0 !333
! REV /3.16E+11 0.0 9100.0 /
IC4H9=IC4H8+H 3.31E+14 0.0 36000.0 !334
! REV /1.00E+13 0.0 1200.0 /
TC4H9=IC4H8+H 1.00E+15 0.0 43600.0 !335
! REV /3.16E+13 0.0 1500.0 /
TC4H9=C3H6+CH3 1.58E+15 0.0 46300.0 !336
! REV /1.00E+11 0.0 7000.0 /
TC4H9+O2=IC4H8+HO2 1.00E+12 0.0 5000.0 !337
! REV /2.00E+11 0.0 17500.0 /
IC4H9+O2=IC4H8+HO2 1.00E+12 0.0 5000.0 !338
! REV /2.00E+11 0.0 17500.0 /
IC4H8=C3H5+CH3 1.51E+19 -1.0 73400.0 !339
! REV /3.98E+12 0.0 0.0 /
IC4H8=IC4H7+H 1.00E+17 0.0 88000.0 !340
! REV /2.00E+13 0.0 0.0 /
IC4H8+H=IC4H7+H2 1.00E+13 0.0 3800.0 !341
! REV /3.02E+13 0.0 25000.0 /
IC4H8+O=IC4H7+OH 2.51E+05 2.6 -1130.0 !342
! REV /7.08E+11 0.0 29900.0 /
IC4H8+OH=IC4H7+H2O 1.91E+12 0.0 1230.0 !343
! REV /4.79E+12 0.0 26470.0 /
IC4H8+O=IC3H7+HCO 7.24E+05 2.3 -1050.0 !344
! REV /2.00E+05 2.3 80280.0 /
IC4H8+OH=IC3H7+CH2O 1.51E+12 0.0 0.0 !345
! REV /1.95E+13 0.0 13230.0 /
IC4H8+CH3=IC4H7+CH4 6.03E+11 0.0 8900.0 !346
! REV /6.03E+11 0.0 29900.0 /
IC4H7=C3H4+CH3 1.00E+13 0.0 32600.0 !347
! REV /2.00E+11 0.0 7500.0 /
C2H3+O2=CH2O+HCO 3.98E+12 0.0 -250.0 !348
! REV /3.98E+12 0.0 86300.0 /
AC8H17=DC8H17 6.03E+11 0.0 14100.0 !349
! REV /8.91E+11 0.0 14200.0 /
AC8H17=CC8H17 1.00E+11 0.0 16100.0 !350
! REV /8.91E+11 0.0 21100.0 /
NEOC5H11O2 = NEOC5H11+O2 3.472E+26 -3.68 3.604E+4 !351
NEOC5H11+NEOC5H11O2=NEOC5H11O+NEOC5H11O 7.000E+12 0.00 -1.000E+03 !352
NEOC5H11O2 = NEOC5H10OOH 2.125E+13 0.00 2.440E+04 !353
NEOC5H11O2+HO2 = NEOC5H11O2H+O2 1.750E+13 0.00 -3.275E+03 !354
NEOC5H11O2+H2O2 = NEOC5H11O2H+HO2 2.400E+12 0.00 1.000E+04 !355
NEOC5H11O2+NEOC5H11O2=O2+NEOC5H11O+NEOC5H11O 1.400E+16 -1.61 1.860E+03 !356
NEOC5H11O2H = NEOC5H11O+OH 1.500E+16 0.00 4.250E+04 !357
NEOC5H11O = CH2O+TC4H9 1.349E+18 -2.34 1.899E+04 !358
NEOC5H11+HO2 = NEOC5H11O+OH 1.000E+14 0.00 0.000E+00 !359
NEOC5H10OOH = OH+CH2O+IC4H8 3.011E+18 -1.17 1.995E+04 !360
NEOC5H11=C3H6+C2H5 3.587E+16 -1.28 3.193E+04 !361
AC8H17+HO2=IC6H13+C2H3+H2O2 1.00E+12 0.0 0.0 ! 362
BC8H17+HO2=IC6H13+C2H3+H2O2 1.00E+12 0.0 0.0 ! 363
CC8H17+HO2=IC6H13+C2H3+H2O2 1.00E+12 0.0 0.0 ! 364
DC8H17+HO2=IC6H13+C2H3+H2O2 1.00E+12 0.0 0.0 ! 365
IC8H18+C2H3=AC8H17+C2H4 1.00E+12 0.0 0.0 ! 366
IC8H18+C2H3=BC8H17+C2H4 1.00E+12 0.0 0.0 ! 367
IC8H18+C2H3=CC8H17+C2H4 1.00E+12 0.0 0.0 ! 368
IC8H18+C2H3=DC8H17+C2H4 1.00E+12 0.0 0.0 ! 369
CC7H14+OH=IC6H13+CH2O 1.00E+12 0.0 0.0 ! 370
!
AC8H17+O2=R1C8H17OO 2.50E+19 -2.5 0.0 ! 371
BC8H17+O2=R1C8H17OO 2.50E+19 -2.5 0.0 ! 372
CC8H17+O2=R2C8H17OO 2.50E+19 -2.5 0.0 ! 373
DC8H17+O2=R2C8H17OO 2.50E+19 -2.5 0.0 ! 374
!
R1C8H17OO=C8H16OOH 2.00E+12 0.0 28500.0 ! 375
R2C8H17OO=C8H16OOH 3.38E+12 0.0 28500.0 ! 376 ! 1.38
C8H16OOH+O2=R1C8H16OOHOO 2.20E+19 -2.5 0.0 ! 377
C8H16OOH+O2=R2C8H16OOHOO 2.20E+19 -2.5 0.0 ! 378
R1C8H16OOHOO=C8H15O4H2 4.62E+12 0.0 28500.0 ! 379
R2C8H16OOHOO=C8H15O4H2 4.00E+12 0.0 28500.0 ! 380
C8H15O4H2=OH+C7H14CHO(OOH) 2.00E+11 0.0 7500.0 ! 381
C7H14CHO(OOH)=C6H13CO+CH2O+OH 2.05E+15 0.0 4.140E+4 ! 382 ! 2.05
C6H13CHO + O2= C6H13CO + HO2 1.00E+10 0.5 4.200E+4 ! 383
C6H13CHO + OH= C6H13CO + H2O 1.00E+12 0.0 0.0 ! 384
C6H13CHO + H = C6H13CO + H2 4.00E+13 0.0 4.200E+3 ! 385
C6H13CHO + O = C6H13CO + OH 5.00E+12 0.0 1.790E+3 ! 386
C6H13CHO +HO2= C6H13CO + H2O2 2.80E+12 0.0 1.360E+4 ! 387
C6H13CHO +CH3= C6H13CO + CH4 1.70E+11 0.0 8.440E+3 ! 388
C6H13CO=CO+IC6H13 1.00E+11 0.0 9.600E+3 ! 389
IC6H13=C6H12+H 3.345E+16 -0.9 3.795E+4 ! 390
IC6H13=C2H4+PC4H9 2.805E+17 -1.29 3.018E+4 ! 391
C6H12+OH=NEOC5H11+CH2O 1.000E+11 0.00 -4.000E+3! 392
C6H12+OH=TC4H9+CH3CHO 1.000E+11 0.00 -4.000E+3! 393
C6H12=C3H5+IC3H7 1.000E+16 0.00 7.100E+4! 394
C6H12+OH=C6H11+H2O 3.000E+13 0.00 1.230E+3! 395
C6H12+CH3=C6H11+CH4 1.000E+12 0.00 7.300E+3! 396
!
N + NO = N2 + O 3.500E+13 0.0 330.0!CGS
N + O2 = NO + O 2.650E+12 0.0 6400.0!CGS
N + OH = NO + H 7.333E+13 0.0 1120.0!CGS
N + CO2 = NO + CO 1.900E+11 0.0 3400.0!CGS
N2O + O = N2 + O2 1.400E+12 0.0 10810.0!CGS
N2O + O = NO + NO 2.900E+13 0.0 23150.0!CGS
N2O + H = N2 + OH 4.400E+14 0.0 18880.0!CGS
N2O + OH = N2 + HO2 2.000E+12 0.0 21060.0!CGS
N2O + M = N2 + O + M 1.300E+11 0.0 59620.0!CGS
NO + HO2 = NO2 + OH 2.110E+12 0.0 -480.0!CGS
NO2 + O = NO + O2 3.900E+12 0.0 -240.0!CGS
NO2 + H = NO + OH 1.320E+14 0.0 360.0!CGS
NO + O +M = NO2 + M 1.060E+20 -1.41 0.0!CGS
END

450
applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_ch4
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@ -1,450 +0,0 @@
ELEMENTS
H O C N AR
END
SPECIES
H2 O2 OH H H2O O H2O2 HO2
CH4 CO CO2 HCO CH3O CH2OH CH2O CH3 CH2 CH2(S) CH HCCO CH3O2 CH4O2
C2H6 C2H5 C2H4 C2H3 C2H2 C2H CH3CO CH2CO C3H2 C3H3 C3H4 C3H5 C3H6 HCCOH
C2H5OH CH3HCO CH3CHOH CH3OH C4H2 C4H3 CH3OCH3 CH3OCH2 CH3OCH2OOH CH3OCH2OO
CH3OCH2O HCOOCH3 HCOOH CH3OCO
O3 N2 AR C
C3H7 C3H8
THERMO ! 1995 NASA COMPILATION + EDGAR DATA
CH3O2 L 1/84C 1H 3O 2N 0G 300.000 5000.00 1
0.66812963E 01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
0.52621851E 03-0.99423847E 01 0.20986490E 01 0.15786357E-01 0.75683261E-07 3
-0.11274587E-07 0.56665133E-11 0.20695879E 04 0.15007068E 02 4
CH4O2 T12/93C 1H 4O 2N 0G 200.000 6000.000 1
0.61600316E+01 0.10239957E-01-0.36101507E-05 0.57550301E-09-0.34178147E-13 2
-0.17654526E+05-0.61911544E+01 0.49652507E+01 0.92343510E-03 0.34455956E-04 3
-0.44469600E-07 0.17456120E-10-0.16726970E+05 0.29880275E+01 4
C2H5OH L 8/88C 2H 6O 1N 0G 200.000 6000.000 1
0.65624365E+01 0.15204222E-01-0.53896795E-05 0.86225011E-09-0.51289787E-13 2
-0.31525621E+05-0.94730202E+01 0.48586957E+01-0.37401726E-02 0.69555378E-04 3
-0.88654796E-07 0.35168835E-10-0.29996132E+05 0.48018545E+01-0.28257829E+05 4
C3H3 BUR 92C 3H 3O 0N 0G 200.000 6000.000 1
6.64175821E+00 8.08587428E-03-2.84787887E-06 4.53525977E-10-2.68879815E-14 2
3.89793699E+04-1.04004255E+01 1.82840766E+00 2.37839036E-02-2.19228176E-05 3
1.00067444E-08-1.38984644E-12 4.01863058E+04 1.38447957E+01 4.16139977E+04 4
C3H4 L12/92C 3H 4O 0N 0G 200.000 6000.000 1
6.31694869E+00 1.11336262E-02-3.96289018E-06 6.35633775E-10-3.78749885E-14 2
2.01174617E+04-1.09718862E+01 2.61307487E+00 1.21223371E-02 1.85405400E-05 3
-3.45258475E-08 1.53353389E-11 2.15415642E+04 1.02503319E+01 2.29622672E+04 4
C3H5 BUR 92C 3H 5O 0N 0G 200.000 6000.000 1
6.54761132E+00 1.33152246E-02-4.78333100E-06 7.71949814E-10-4.61930808E-14 2
1.72714707E+04-9.27486841E+00 3.78794693E+00 9.48414335E-03 2.42343368E-05 3
-3.65604010E-08 1.48592356E-11 1.86261218E+04 7.82822499E+00 2.03259122E+04 4
C3H7 N-L 9/84C 3H 7 0 0G 300.000 5000.000 1
0.77026987E 01 0.16044203E-01-0.52833220E-05 0.76298590E-09-0.39392284E-13 2
0.82984336E 04-0.15480180E 02 0.10515518E 01 0.25991980E-01 0.23800540E-05 3
-0.19609569E-07 0.93732470E-11 0.10631863E 05 0.21122559E 02 0.12087447E 05 4
C4H2 L 2/93C 4H 2O 0N 0G 200.000 6000.000 1
8.66704895E+00 6.71505191E-03-2.35355060E-06 3.73635366E-10-2.21054043E-14 2
5.10016978E+04-2.18002050E+01-4.07132393E-01 5.20775143E-02-9.21138340E-05 3
8.08657403E-08-2.70422080E-11 5.25957367E+04 2.03240223E+01 5.41222513E+04 4
C4H3 L 9/89C 4H 3O 0N 0G 298.150 6000.000 1
0.84762079E+01 0.88782327E-02-0.30328412E-05 0.47358302E-09-0.27716627E-13 2
0.54756540E+05-0.17170551E+02 0.24173247E+01 0.24104782E-01-0.12813470E-04 3
-0.28606237E-08 0.39194527E-11 0.56506476E+05 0.14471107E+02 0.58181574E+05 4
C4H4 L 9/89C 4H 4O 0N 0G 200.000 6000.000 1
0.82948104E+01 0.11994381E-01-0.42624075E-05 0.68306978E-09-0.40680631E-13 2
0.33550866E+05-0.18426826E+02 0.14049083E+01 0.29531073E-01-0.15596302E-04 3
-0.32142002E-08 0.45436937E-11 0.35507830E+05 0.17450183E+02 0.37097268E+05 4
CH3OCH3 L12/92C 2H 6O 1N 0G 200.000 6000.000 1
5.64844183E+00 1.63381899E-02-5.86802367E-06 9.46836869E-10-5.66504738E-14 2
-2.51074690E+04-5.96264939E+00 5.30562279E+00-2.14254272E-03 5.30873244E-05 3
-6.23147136E-08 2.30731036E-11-2.39866295E+04 7.13264209E-01-2.21432171E+04 4
CH3OCH2 T11/82C 2H 5O 1N 0G 300.000 5000.0 1
0.65567484E+01 0.12180723E-01-0.40628420E-05 0.59495830E-09-0.31276214E-13 2
-0.40282515E+04-0.81302772E+01 0.35953999E+01 0.13379216E-01 0.53914910E-05 3
-0.10947097E-07 0.38193320E-11-0.27021975E+04 0.92850365E+01 4
CH3OCH2OOH Jan96 C 2H 6O 3N 0G 300.00 3000.00 1000. 0 1
7.66981055E+00 2.35536769E-02-1.15031834E-05 2.84464629E-09-2.79520304E-13 2
-3.96295537E+04-1.39224857E+01 3.05518950E-02 4.90560834E-02-4.43030986E-05 3
2.21548123E-08-4.66587486E-12-3.80282020E+04 2.43189660E+01 4
CH3OCH2OO Jan96 C 2H 5O 3N 0G 300.00 3000.00 1000. 0 1
8.06217488E+00 2.05153644E-02-1.00803231E-05 2.50244952E-09-2.46544863E-13 2
-2.19951127E+04-1.59505736E+01 4.74967287E-01 4.68199208E-02-4.55041928E-05 3
2.44627078E-08-5.51108848E-12-2.04517448E+04 2.17234867E+01 4
CH3OCH2O Jan96 C 2H 5O 2N 0G 300.00 3000.00 1000. 0 1
5.98450336E+00 1.93302785E-02-9.44575204E-06 2.33651645E-09-2.29626013E-13 2
-2.12266609E+04-7.95685946E+00-1.22386711E-01 3.94270827E-02-3.47990406E-05 3
1.69073231E-08-3.44801024E-12-1.99352987E+04 2.26909497E+01 4
CH3OCHO Jan96 C 2H 4O 2N 0G 300.00 3000.00 1000. 1
5.46071782E+00 1.70659166E-02-8.38236448E-06 2.08015776E-09-2.04870146E-13 2
-4.58756417E+04-3.33482124E+00-4.40150386E-01 3.69251939E-02-3.41468832E-05 3
1.73800460E-08-3.70831952E-12-4.46516329E+04 2.61277510E+01 4
HCOOCH3 C 2H 4O 2N 0G 300.000 5000.000 1
0.83982000E 01 0.11267000E-01-0.41325000E-05 0.72745000E-09-0.48932000E-13 2
-0.48328000E 05-0.18820000E 02-0.15323000E 01 0.43051000E-01-0.45098000E-04 3
0.26064000E-07-0.63345000E-11-0.45711000E 05 0.31603000E 02 4
HCOOH L 8/88H 2.C 1.O 2. 0.G 200.000 6000.000 1
5.69579404E+00 7.72237361E-03-3.18037808E-06 5.57949466E-10-3.52618226E-14 2
-4.81599723E+04-6.01680080E+00 3.23262453E+00 2.81129582E-03 2.44034975E-05 3
-3.17501066E-08 1.20631660E-11-4.67785606E+04 9.86205647E+00-4.55312460E+04 4
CH3OCO C 2H 3O 2 0G 300.000 5000.000 1
0.76505900E 01 0.99082000E-02-0.37559700E-05 0.67845900E-09-0.46572100E-13 2
-0.24947700E 05-0.12937300E 02-0.89045900E 00 0.38842600E-01-0.42829300E-04 3
0.25682800E-07-0.63729700E-11-0.22835200E 05 0.29911300E 02 4
END
REACTIONS
CH4 + O2 = CH3 + HO2 7.900E+13 0.00 56000.
CH4 + H = CH3 + H2 6.600E+08 1.62 10840. ! 2.200E+04 3.00 8750.
CH4 + OH = CH3 + H2O 1.600E+06 2.10 2460.
CH4 + O = CH3 + OH 1.020E+09 1.50 8604.
CH4 + HO2 = CH3 + H2O2 1.800E+11 0.00 18700.
CH3 + HO2 = CH3O + OH 2.000E+13 0.00 0.
CH3 + O2 = CH3O + O 2.720E+13 0.00 30900.
CH3 + O2 = CH2O + OH 3.800E+10 0.00 9000. ! 3.8
CH3 + CH2O = CH4 + HCO 5.500E+03 2.82 6000.
CH3 + HCO = CH4 + CO 1.200E+14 0.00 0.
CH3 + O = CH2O + H 8.000E+13 0.00 0.
CH3 + OH = CH2 + H2O 7.500E+06 2.00 5000.
CH3 + OH = CH2O + H2 4.000E+12 0.00 0.
CH3 + H = CH4 1.900E+36 -7.00 9050.
CH3 + CH3 = C2H6 1.900D+53 -12.0 19400.
!
CH3 + CH3O = CH4 + CH2O 1.000E+13 0.00 0.
CH3 + CH2OH = CH4 + CH2O 1.000E+12 0.00 0.
CH3 + C2H5 = CH4 + C2H4 2.000E+13 -0.50 0.
CH3 + C2H4 = CH4 + C2H3 6.620E+00 3.70 9482.
CH3 + C2H3 = CH4 + C2H2 1.000E+12 0.00 0.
CH3 + C2H2 = CH4 + C2H 1.800E+11 0.00 17270.
CH3 + CH3 = C2H4 + H2 1.000E+14 0.00 31000.
CH3 + M = CH2 + H + M 1.000E+16 0.00 90600.
CH3 + HCO = CH2 + CH2O 2.000E+14 0.00 0.
CH2 + H2 = CH3 + H 5.000E+05 2.00 7230.
CH2 + CH3 = C2H4 + H 4.000E+13 0.00 0.
!
CH2(S)+ CH3 = C2H4 + H 3.000E+13 0.00 -570.
CH2(S)+ H2 = CH3 + H 8.000E+13 0.00 0.
CH2(S)+ CH4 = CH3 + CH3 4.000E+12 0.00 -570.
CH2(S)+ C2H6 = CH3 + C2H5 4.000E+12 0.00 -550.
CH2(S)+ C2H2 = C3H3 + H 3.000E+13 0.00 0.
CH2(S)+ N2 = CH2 + N2 1.500E+13 0.00 600.
CH2(S)+ AR = CH2 + AR 9.000E+12 0.00 600.
CH2(S)+ CO2 = CH2 + CO2 7.000E+12 0.00 0.
CH2(S)+ CO2 = CH2O + CO 1.400E+11 0.00 1000.
CH2(S)+ H2O = CH2 + H2O 3.000E+13 0.00 0.
CH2(S)+ O2 = CO + OH + H 2.800E+12 0.00 -500.
CH2(S)+ O2 = CO + H2O 1.200E+12 0.00 -500.
CH2(S)+ H = CH + H2 3.000E+13 0.00 0.
CH2(S)+ O = CO + H2 3.000E+13 0.00 0.
!
CH2OH + H = CH3 + OH 1.000E+14 0.00 0.
CH3O + H = CH3 + OH 1.000E+14 0.00 0.
CH3O + M = CH2O + H + M 1.000E+14 0.00 25000.
CH2OH + M = CH2O + H + M 1.000E+14 0.00 25000.
CH3O + H = CH2O + H2 2.000E+13 0.00 0.
CH2OH + H = CH2O + H2 2.000E+13 0.00 0.
CH3O + OH = CH2O + H2O 1.000E+13 0.00 0.
CH2OH + OH = CH2O + H2O 1.000E+13 0.00 0.
CH3O + O = CH2O + OH 1.000E+13 0.00 0.
CH2OH + O = CH2O + OH 1.000E+13 0.00 0.
CH3O + O2 = CH2O + HO2 6.300E+10 0.00 2600. ! 6.3
CH2OH + O2 = CH2O + HO2 1.480E+13 0.00 1500.
!CH2 + H = CH + H2 1.000E+18 -1.56 0.
CH2 + OH = CH + H2O 1.130E+07 2.00 3000.
CH2 + OH = CH2O + H 2.500E+13 0.00 0.
CH2 + CH2 = C2H2 + H2 4.000E+13 0.00 0.
CH2 + HCCO = C2H3 + CO 3.000E+13 0.00 0.
CH + H2 = H + CH2 1.107E+08 1.79 1670.
CH + O2 = HCO + O 6.300E+13 0.00 0.
CH + O = CO + H 5.700E+13 0.00 0.
CH + OH = HCO + H 3.000E+13 0.00 0.
CH + CO2 = HCO + CO 3.400E+12 0.00 690.
CH + H2O = CH2O + H 1.170E+15 -0.75 0.
CH + CH2O = CH2CO + H 9.460E+13 0.00 -515.
CH + C2H2 = C3H2 + H 1.000E+14 0.00 0.
CH + CH2 = C2H2 + H 4.000E+13 0.00 0.
CH + CH3 = C2H3 + H 3.000E+13 0.00 -400.
CH + CH4 = C2H4 + H 3.000E+13 0.00 0.
CH2 + O = CO + H + H 5.000E+13 0.00 0.
CH2 + O = HCO + H 8.000E+13 0.00 0.
CH2 + O2 = CO2 + H + H 1.600E+12 0.00 1000.
CH2 + O2 = CH2O + O 5.000E+13 0.00 9000.
CH2 + O2 = CO2 + H2 6.900E+11 0.00 500.
CH2 + O2 = HCO + OH 4.300E+10 0.00 -500.
CH2O + OH = HCO + H2O 3.430E+09 1.18 -447.
CH2O + H = HCO + H2 2.190E+08 1.77 3000.
CH2O + M = HCO + H + M 3.310E+16 0.00 81000.
CH2O + O = HCO + OH 1.800E+13 0.00 3080.
CH2O + O2 = HCO + HO2 6.200E+13 0.00 39000.
CH2O + HO2 = HCO + H2O2 1.000E+12 0.00 9000.
CH2O + HO2 = HCOOH + OH 1.000E+13 0.00 14900.
!
HCOOH + H = H + CO2 + H2 3.060E+10 1.00 3200.
HCOOH + O = H + CO2 + OH 5.360E+11 0.60 2900.
HCOOH + OH = H + CO2 + H2O 2.500E+11 0.00 0.
HCOOH + HO2 = H2O2 + CO2 + H 2.500E+11 0.00 0.
HCOOH + CH3 = CH4 + CO2 + H 1.100E-03 4.90 3480.
HCOOH + CH3OCH2 = CH3OCH3 + CO2 + H 1.100E-03 4.90 3480.
!
HCO + OH = H2O + CO 1.000E+14 0.00 0.
!HCO + M = H + CO + M 2.500E+14 0.00 16802.
HCO + H2O = H + CO + H2O 2.244E+18 -1.00 17000.
HCO + M = H + CO + M 1.870E+17 -1.00 17000.
H2/2.00/ H2O/ .00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/
HCO + H = CO + H2 1.190E+13 0.25 0.
HCO + O = CO + OH 3.000E+13 0.00 0.
HCO + O = CO2 + H 3.000E+13 0.00 0.
HCO + O2 = HO2 + CO 3.300E+13 -0.40 0.
HCO + HCO = CH2O + CO 3.000E+13 0.00 0.
HCO + HCO = H2 + CO + CO 3.000E+12 0.00 0.
CO + O + M = CO2 + M 6.170E+14 0.00 3000.
H2/2.00/ O2/6.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/3.50/ C2H6/3.00/ AR/0.50/
CO + OH = CO2 + H 1.510E+07 1.30 -758.
CO + O2 = CO2 + O 1.600E+13 0.00 41000.
HO2 + CO = CO2 + OH 5.800E+13 0.00 22934.
C2H6 + CH3 = C2H5 + CH4 5.500E-01 4.00 8300.
C2H6 + H = C2H5 + H2 5.400E+02 3.50 5210.
C2H6 + O = C2H5 + OH 3.000E+07 2.00 5115.
C2H6 + OH = C2H5 + H2O 8.700E+09 1.05 1810.
C2H4 + H = C2H3 + H2 1.100E+14 0.00 8500.
C2H4 + O = CH3 + HCO 1.600E+09 1.20 746.
C2H4 + OH = C2H3 + H2O 2.020E+13 0.00 5955.
H + C2H4 = C2H5 2.600E+43 -9.25 52580.
C2H5 + H = CH3 + CH3 1.000E+14 0.00 0.
C2H5 + O2 = C2H4 + HO2 8.430E+11 0.00 3875.
C2H2 + O = CH2 + CO 1.020E+07 2.00 1900.
C2H2 + O = HCCO + H 1.020E+07 2.00 1900.
H2 + C2H = C2H2 + H 4.090E+05 2.39 864.
C2H3 = C2H2 + H 4.600E+40 -8.80 46200.
C2H3 + H = C2H2 + H2 4.000E+13 0.00 0.
C2H3 + O = CH2CO + H 3.000E+13 0.00 0.
C2H3 + O2 = CH2O + HCO 4.000E+12 0.00 -250.
C2H3 + O2 = C2H2 + HO2 1.580E+13 0.00 10060.
C2H3 + OH = C2H2 + H2O 5.000E+12 0.00 0.
C2H3 + CH2 = C2H2 + CH3 3.000E+13 0.00 0.
C2H3 + C2H = C2H2 + C2H2 3.000E+13 0.00 0.
C2H3 + CH = CH2 + C2H2 5.000E+13 0.00 0.
OH + C2H2 = C2H + H2O 3.370E+07 2.00 14000.
OH + C2H2 = HCCOH + H 5.040E+05 2.30 13500.
OH + C2H2 = CH2CO + H 2.180E-04 4.50 -1000.
OH + C2H2 = CH3 + CO 4.830E-04 4.00 -2000.
C2H2 + O = C2H + OH 3.160E+15 -0.60 15000.
HCCOH + H = CH2CO + H 1.000E+13 0.00 0.
!
CH2CO + O = CO2 + CH2 1.750E+12 0.00 1350.
CH2CO + O = HCO + HCO 2.300E+13 0.00 2300.
CH2CO + H = CH3 + CO 1.130E+13 0.00 3428.
CH2CO + H = HCCO + H2 5.000E+13 0.00 8000.
CH2CO + O = HCCO + OH 1.000E+13 0.00 8000.
CH2CO + OH = HCCO + H2O 7.500E+12 0.00 2000.
CH2CO + M = CH2 + CO + M 3.000E+14 0.00 70980.
C2H + O2 = CO + CO + H 5.000E+13 0.00 1500.
HCCO + H = CH2(S)+ CO 1.000E+14 0.00 0.
HCCO + O = H + CO + CO 1.000E+14 0.00 0.
HCCO + O2 = OH + CO + CO 1.600E+12 0.00 854.
HCCO + CH = C2H2 + CO 5.000E+13 0.00 0.
HCCO + HCCO = C2H2 + CO + CO 1.600E+12 0.00 854.
C2H + O = CH + CO 5.000E+13 0.00 0.
C2H + OH = HCCO + H 2.000E+13 0.00 0.
C3H2 + O2 = HCCO + HCO 1.000E+13 0.00 0.
C3H3 + O2 = CH2CO + HCO 3.000E+10 0.00 2868.
C3H3 + O = CH2O + C2H 2.000E+13 0.00 0.
C3H3 + OH = C3H2 + H2O 2.000E+13 0.00 0.
C2H2 + O2 = HCCO + OH 2.000E+08 1.50 30100.
C2H2 + M = C2H + H + M 4.200E+16 0.00 107000.
C2H4 + M = C2H2 + H2 + M 1.500E+15 0.00 55800.
H2 + O2 = OH + OH 1.700E+13 0.00 47780.
H2 + OH = H2O + H 1.170E+09 1.30 3626.
O + OH = O2 + H 8.000E+14 -0.60 0.
!H + O2 = O + OH 8.300E+13 0.00 14413.
O + H2 = OH + H 5.060E+04 2.67 6290.
H + O2 + M = HO2 + M 3.610E+17 -0.72 0.
H2O/21./ CO2/5.0/ H2/3.3/ CO/2.0/ AR/0.0/
H + O2 + AR = HO2 + AR 7.000E+17 -0.80 0.
OH + HO2 = H2O + O2 2.890E+13 0.00 497.
H + HO2 = OH + OH 1.700E+14 0.00 874.
O + HO2 = O2 + OH 1.400E+13 0.00 1073.
OH + OH = O + H2O 6.000E+08 1.30 0.
H + H + M = H2 + M 1.000E+18 -1.00 0.
H2O/0./ H/2./ H2/0./ CO2/0./ AR/0.5/
H + H + H2 = H2 + H2 9.200E+16 -0.60 0.
H + H + H2O = H2 + H2O 6.000E+19 -1.25 0.
H + H + CO2 = H2 + CO2 5.490E+20 -2.00 0.
H + OH + M = H2O + M 1.600E+22 -2.00 0.
H2/0.73/ H2O/3.65/ CH4/2.00/ C2H6/3.00/ AR/0.38/
H + O + M = OH + M 5.000E+17 -1.00 0.
H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/0.50/
O + O + M = O2 + M 1.200E+17 -1.00 0.
H2/ 2.40/ H2O/15.40/ CH4/ 2.00/ CO/ 1.75/ CO2/ 3.60/ C2H6/ 3.00/ AR/ 0.50/
H + HO2 = H2 + O2 4.280E+13 0.00 1411.
HO2 + HO2 = H2O2 + O2 3.020E+12 0.00 1390. ! 1.300E+11 .000 -1630.00
H2O2 + M = OH + OH + M 1.200E+17 0.00 45500.
AR/0.5/
H2O2 + H = HO2 + H2 4.790E+13 0.00 7950.
H2O2 + OH = H2O + HO2 1.000E+13 0.00 1800.
H + HO2 = O + H2O 3.100E+10 0.00 1720.
O + OH + M = HO2 + M 6.400E+15 0.00 0.
AR/0.5/
H2O2 + H = H2O + OH 1.000E+13 0.00 3590.
H2O2 + O = H2O + O2 8.400E+11 0.00 4260.
H2O2 + O = OH + HO2 2.000E+13 0.00 5900.
H2 + HO2 = H2O + OH 6.500E+11 0.00 18800.
C2H6 + CH = H + C3H6 1.100E+14 0.00 -263.
C3H6 + O = CH3CO + CH3 5.000E+12 0.00 454.
C3H6 + O = C2H5 + HCO 1.500E+12 0.00 0.
CH3CO + H = CH2CO + H2 2.000E+13 0.00 0.
CH3CO + O = CH3 + CO2 2.000E+13 0.00 0.
CH3CO + CH3 = C2H6 + CO 5.000E+13 0.00 0.
CH3CO = CH3 + CO 2.300E+26 -5.00 17970.
!C2H3 + CH3 + M = C3H6 + M 5.000E+10 0.00 0.
CH3 + C2H3 = C3H6 2.000E+13 0.00 0.
CH3 + C2H2 = C3H5 6.000E+11 0.00 16000.
C2H5 + C3H5 = C2H4 + C3H6 4.000E+11 0.00 0.
C2H3 + C3H6 = C2H4 + C3H5 3.160E+12 0.00 31000.
C3H5 + H = C3H6 2.000E+13 0.00 0.
C2H6 + O2 = C2H5 + HO2 1.000E+13 0.00 48960.
C2H4 + O2 = C2H3 + HO2 4.200E+13 0.00 57590.
C2H5 + HO2 = C2H4 + H2O2 3.000E+11 0.00 0.
!
O3 + M = O2 + O + M 3.000E+14 0.00 22180.
O3 + O = O2 + O2 1.000E+13 0.00 4570.
O3 + H = O2 + OH 1.000E+14 0.00 890.
O3 + OH = HO2 + O2 1.000E+12 0.00 1848.
O3 + HO2 = OH + O2 + O2 1.000E+13 0.00 11000.
!
CH3OH = CH2OH + H 3.700E+15 0.00 96700.
CH3OH = CH3O + H 4.500E+15 0.00 96700.
CH3OH = CH3 + OH 3.800E+15 0.00 91700.
CH3OH + O2 = CH2OH + HO2 4.050E+13 0.0 44906.
CH3OH + H = CH2OH + H2 1.700E+07 2.10 4870.
CH3OH + H = CH3O + H2 4.200E+06 2.10 4870.
CH3OH + O = OH + CH2OH 3.880E+05 2.50 3100.
CH3OH + O = OH + CH3O 1.300E+05 2.50 5000.
CH3OH + OH = CH2OH + H2O 1.440E+06 2.00 -840.
CH3OH + OH = CH3O + H2O 6.300E+06 2.00 1500.
CH3OH + HO2 = CH2OH + H2O2 5.200E+13 0.00 19360.
CH3OH + CH3 = CH2OH + CH4 3.000E+07 1.50 9940.
CH3OH + CH3 = CH3O + CH4 1.000E+07 1.50 9940.
CH3OH + CH3O = CH3OH + CH2OH 3.00E+11 0.0 4000.
CH3O + CH3O = CH3OH + CH2O 1.200E+12 0.0 0.
CH2OH + CH2OH = CH3OH + CH2O 1.200E+12 0.0 0.
CH2OH + HCO = CH3OH + CO 1.200E+12 0.0 0.
!
C2H5OH = CH3 + CH2OH 3.020E+18 0.00 75470.
C2H5OH + O2 = CH3CHOH + HO2 4.000E+10 0.00 50000.
C2H5OH + OH = CH3CHOH + H2O 3.020E+13 0.00 5960.
C2H5OH + H = CH3CHOH + H2 4.360E+12 0.00 4570.
C2H5OH + O = CH3CHOH + OH 6.760E+12 0.00 1510.
C2H5OH + HO2 = CH3CHOH + H2O2 6.310E+12 0.00 15000.
C2H5OH + CH3 = CH3CHOH + CH4 4.000E+12 0.00 9690.
!
CH3CHOH + M = CH3HCO + H + M 5.000E+13 0.00 21850.
CH3CHOH + O2 = CH3HCO + HO2 1.000E+13 0.0 5560.
C2H5OH + H = C2H5 + H2O 5.250E+12 0.00 5000.
CH3HCO = CH3 + HCO 7.080E+15 0.00 81760.
CH3HCO = CH3CO + H 5.000E+14 0.00 87860.
CH3HCO + O2 = CH3CO + HO2 2.000E+13 0.50 42200.
CH3HCO + H = CH3CO + H2 4.000E+13 0.00 4200.
CH3HCO + OH = CH3CO + H2O 1.000E+13 0.00 0.
CH3HCO + O = CH3CO + OH 5.000E+12 0.00 1790.
CH3HCO + CH3 = CH3CO + CH4 1.700E+12 0.00 8430.
CH3HCO + HO2 = CH3CO + H2O2 1.700E+12 0.00 10700.
C2H2 + C2H2 = C4H3 + H 2.000E+12 0.00 45900.
C4H3 + M = C4H2 + H + M 1.000E+16 0.00 59700.
C4H2 + O = C3H2 + CO 1.200E+12 0.00 0.
C2H2 + C2H = C4H2 + H 4.000E+13 0.00 0.
C3H4 + O = CH2O + C2H2 1.000E+12 0.00 0.
C3H4 + OH = CH2O + C2H3 1.000E+12 0.00 0.
C3H4 + O = HCO + C2H3 1.000E+12 0.00 0.
C3H4 + OH = HCO + C2H4 1.000E+12 0.00 0.
C3H6 + O = CH2O + C2H4 5.900E+13 0.00 0.
C3H6 + OH = CH3 + CH3HCO 7.080E+12 0.00 0.
C3H6 + OH = C3H5 + H2O 4.000E+12 0.00 0.
C3H6 + OH = C2H5 + CH2O 8.000E+12 0.00 0.
C3H6 + H = C3H5 + H2 5.000E+12 0.00 1500.
C3H6 + CH3 = C3H5 + CH4 1.000E+11 0.00 8500.
C3H6 + C2H5 = C3H5 + C2H6 1.000E+11 0.00 9200.
C3H5 = C3H4 + H 4.000E+13 0.00 70000.
C3H5 + O2 = C3H4 + HO2 6.020E+11 0.00 10000.
C3H5 + H = C3H4 + H2 1.000E+13 0.00 0.
C3H5 + CH3 = C3H4 + CH4 1.000E+12 0.00 0.
!
CH3 + O2 = CH3O2 9.020E+58 -15.0 17204.
CH3O2 + HO2 = CH4O2 + O2 4.630E+10 0.0 -2583.
CH3O2 + CH4 = CH4O2 + CH3 1.810E+11 0.0 18480.
CH3O2 + CH3 = CH3O + CH3O 2.410E+13 0.0 0.
CH3O2 + O = CH3O + O2 3.610E+13 0.0 0.
CH3O2 + H = CH3O + OH 9.640E+13 0.0 0.
CH3O2 + OH = CH3OH + O2 6.030E+13 0.0 0.
CH3O2 + CH2O = CH4O2 + HCO 1.000E+12 0.0 11665.
CH3O2 + CH3OH = CH4O2 + CH2OH 1.800E+12 0.0 13712.
CH3O2 + C2H6 = CH4O2 + C2H5 2.950E+11 0.0 14944.
CH4O2 = CH3O + OH 4.000E+15 0.0 42924.
CH4O2 + OH = CH3O2 + H2O 8.200E+11 0.0 -258.
!
CH3OCH3 + H = CH3OCH2 + H2 8.400E+07 2.00 7700.
CH3OCH3 + O = CH3OCH2 + OH 6.540E+06 2.40 5500.
CH3OCH3 + OH = CH3OCH2 + H2O 6.560E+09 1.00 1590.
CH3OCH3 + HO2 = CH3OCH2 + H2O2 4.200E+12 0.00 13875.
CH3OCH3 + CH3O = CH3OCH2 + CH3OH 2.600E+12 0.00 7000.
CH3OCH3 + O2 = CH3OCH2 + HO2 4.100E+13 0.00 44906.
CH3OCH3 + CH3 = CH3OCH2 + CH4 1.950E+12 0.00 11600.
CH3OCH3 = CH3+CH3O 2.620E+16 0.0 82202.
CH3OCH3 = CH3OCH2 + H 2.588E+16 .265 104300.
CH3OCH2 = CH3+CH2O 3.300E+14 0.0 31000. ! 4.3
CH3OCH2 + CH3O = CH3OCH3 + CH2O 6.030E+13 0.0 0.
CH3OCH2 + O2 = CH3OCH2OO 2.000E+42 -10.3 6080.
CH3OCH2 + O2 = HCOOCH3 + OH 5.480E+13 0.0 8370.
CH3OCH2 + HO2 = CH2O + CH3O + OH 3.000E+12 0.0 0.
CH3OCH2 + H2O2 = CH2O + CH3O + H2O 3.000E+12 0.0 0.
CH3OCH2OO + CH3OCH3 = CH3OCH2OOH+CH3OCH2 1.200E+12 0.0 14000. ! 2.2
CH3OCH2OOH = CH3OCH2O + OH 8.200E+08 3.65 34000.
CH3OCH2O = CH3O + CH2O 4.000E+14 0.0 15600.
CH3OCH2O + O2 = HCOOCH3 + HO2 2.000E+12 0.0 6000.
CH3OCH2OOH = CH2O + CH2O + H2O 8.800E+12 0.0 16000.
CH3OCH3 + CH3O2 = CH3OCH2 + CH4O2 1.500E+13 0.0 13700. ! 2.0
CH3O2 + CH3O2 = CH3O + CH3O + O2 6.300E+10 0.0 -600.
CH3O2 + CH3O2 = CH3OCH2O + HO2 6.300E+10 0.0 -600.
! new termination reactions
CH3OCH2O + CH3 = CH4 + HCOOCH3 6.000E+13 0.0 0.
CH3OCH2O + H = H2 + HCOOCH3 6.000E+13 0.0 0.
CH3OCH2O + HO2 = H2O2 + HCOOCH3 6.000E+13 0.0 0.
CH3OCH2O + O = OH + HCOOCH3 6.000E+13 0.0 0.
CH3OCH2O + OH = H2O + HCOOCH3 6.000E+13 0.0 0.
CH3OCH2O + C2H5 = C2H6 + HCOOCH3 6.000E+13 0.0 0.
CH3OCH2O + CH3OCH2 = CH3OCH3 + HCOOCH3 6.000E+13 0.0 0.
CH3OCH2O + CH3O = CH3OH + HCOOCH3 6.000E+13 0.0 0.
HCOOCH3 = CH4 + CO2 6.000E+09 0.0 48520.
HCOOCH3 = CH3O + HCO 6.200E+09 1.61 102580.
HCOOCH3 + O = CH3OCO + OH 5.360E+11 0.6 2900.
HCOOCH3 + H = CH3OCO + H2 1.620E+08 1.6 1980.
HCOOCH3 + OH = CH3OCO + H2O 1.200E+09 1.3 -280.
HCOOCH3 + HO2 = CH3OCO + H2O2 4.000E+12 0.0 12060.
HCOOCH3 + CH3 = CH3OCO + CH4 9.900E-03 4.5 3420.
HCOOCH3 + CH3O = CH3OCO + CH3OH 1.020E+11 0.0 2980.
HCOOCH3 + CH3OCH2 = CH3OCO + CH3OCH3 1.100E-03 4.9 3480.
CH3OCO = CO2 + CH3 1.000E+11 1.1 860.
!
H + CH = C + H2 1.100E+14 0.0 0.
C + O2 = O + CO 5.800E+13 0.0 576.
C + CH2 = H + C2H 5.000E+13 0.0 0.
C + CH3 = H + C2H2 5.000E+13 0.0 0.
!
CH3+C2H5(+M)=C3H8(+M) .9430E+13 .000 .00
LOW/ 2.710E+74 -16.82 13065.0 /
TROE/ .1527 291.0 2742.0 7748.0 /
H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/
O+C3H8=OH+C3H7 1.930E+05 2.680 3716.00
H+C3H8=C3H7+H2 1.320E+06 2.540 6756.00
OH+C3H8=C3H7+H2O 3.160E+07 1.800 934.00
C3H7+H2O2=HO2+C3H8 3.780E+02 2.720 1500.00
CH3+C3H8=C3H7+CH4 0.903E+00 3.650 7154.00
CH3+C2H4(+M)=C3H7(+M) 2.550E+06 1.600 5700.00
LOW/ 3.00E+63 -14.6 18170./
TROE/ .1894 277.0 8748.0 7891.0 /
H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/
O+C3H7=C2H5+CH2O 9.640E+13 .000 .00
H+C3H7(+M)=C3H8(+M) 3.613E+13 .000 .00
LOW/ 4.420E+61 -13.545 11357.0/
TROE/ .315 369.0 3285.0 6667.0 /
H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/
H+C3H7=CH3+C2H5 4.060E+06 2.190 890.00
OH+C3H7=C2H5+CH2OH 2.410E+13 .000 .00
HO2+C3H7=O2+C3H8 2.550E+10 0.255 -943.00
HO2+C3H7=OH+C2H5+CH2O 2.410E+13 .000 .00
CH3+C3H7=2C2H5 1.927E+13 -0.320 .00
END

917
applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_france
View File

@ -1,917 +0,0 @@
!*************************************************************************************!
! !
! DEPARTEMENT DE CHIMIE PHYSIQUE DES REACTIONS !
! ENSIC-CNRS !
! 1 RUE GRANDVILLE, BP 451 !
! 54001 NANCY CEDEX - FRANCE !
! !
!*************************************************************************************!
! !
! REACTION DATABASE FOR C0-C2 COMPOUNDS !
! FILE USABLE BY CHEMKIN II (SANDIA) !
! AUTHORS : F. BATTIN-LECLERC AND P. BARBE !
! 17 MARCH 1997 !
! !
!*************************************************************************************!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! !
!WARNING : Reaction 347 have 2 temperature ranges !
! !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
ELEMENT!
H O C N AR
END
SPECIES
N2 AR O2 CH4 C2H6 C2H4 C2H2 CH2O CO CO2 H2 H2O H2O2
H C O OH HO2 CH3 CH2 CH2(S) CH C2H5 C2H3 C2H CH3O HCO HCCO CH2CO
CH3OH CH2OH CH3CO CH2CHO CH3CHO C2H4O CH3CO3 CH3CO3H CH3O2 CH3O2H C2H5O
C2H5O2 C2H4O2H C2H5O2H C2H5OH C3H4 C3H6 C3H8 C4H2 C4H4 C4H6 UC4H8
NC4H10 C2H3CHO C2H5CHO CH3OCH3 CH3OOCH3 NC3H7OH HOCH2CH2OH CH3COCH3
C2H5COCH3 CH3COCHO CH3COCH2OH CH3COCOCH3
END
THERMO
O 0C 0H 0O 1G 0300.00 5000.00 1000.00 1
0.02542060E+02-0.02755062E-03-0.03102803E-07 0.04551067E-10-0.04368052E-14 2
0.02923080E+06 0.04920308E+02 0.02946429E+02-0.01638166E-01 0.02421032E-04 3
-0.01602843E-07 0.03890696E-11 0.02914764E+06 0.02963995E+02 4
CO 0C 1H 0O 1G 0300.00 5000.00 1000.00 1
0.03025078E+02 0.01442689E-01-0.05630828E-05 0.01018581E-08-0.06910952E-13 2
-0.01426835E+06 0.06108218E+02 0.03262452E+02 0.01511941E-01-0.03881755E-04 3
0.05581944E-07-0.02474951E-10-0.01431054E+06 0.04848897E+02 4
C 0C 1H 0O 0G 0300.00 5000.00 1000.00 1
0.02602087E+02-0.01787081E-02 0.09087041E-06-0.01149933E-09 0.03310844E-14 2
0.08542154E+06 0.04195177E+02 0.02498585E+02 0.08085777E-03-0.02697697E-05 3
0.03040729E-08-0.01106652E-11 0.08545878E+06 0.04753459E+02 4
CH 0C 1H 1O 0G 0300.00 5000.00 1000.00 1
0.02196223E+02 0.02340381E-01-0.07058201E-05 0.09007582E-09-0.03855040E-13 2
0.07086723E+06 0.09178373E+02 0.03200202E+02 0.02072876E-01-0.05134431E-04 3
0.05733890E-07-0.01955533E-10 0.07045259E+06 0.03331588E+02 4
CH2 0C 1H 2O 0G 0300.00 5000.00 1000.00 1
0.03636408E+02 0.01933057E-01-0.01687016E-05-0.01009899E-08 0.01808256E-12 2
0.04534134E+06 0.02156561E+02 0.03762237E+02 0.01159819E-01 0.02489585E-05 3
0.08800836E-08-0.07332435E-11 0.04536791E+06 0.01712578E+02 4
CH2(S) 0C 1H 2O 0G 0300.00 5000.00 1000.00 1
0.03552889E+02 0.02066788E-01-0.01914116E-05-0.01104673E-08 0.02021350E-12 2
0.04984975E+06 0.01686570E+02 0.03971265E+02-0.01699089E-02 0.01025369E-04 3
0.02492551E-07-0.01981266E-10 0.04989368E+06 0.05753207E+00 4
H2 0C 0H 2O 0G 0300.00 5000.00 1000.00 1
2.50170E+00 1.78083E-03 -7.80013E-07 1.48437E-10 -1.03401E-14 2
-6.86891E+02 1.25553E+00 3.43853E+00 1.44314E-04 -1.08191E-07 3
2.16839E-10 -5.54307E-14 -1.03749E+03 -3.92682E+00 4
H2O 0C 0H 2O 1G 0300.00 5000.00 1000.00 1
2.68039E+00 3.09623E-03 -9.31393E-07 1.34865E-10 -7.70007E-15 2
-2.99236E+04 6.77857E+00 3.97559E+00 -4.41834E-04 2.45596E-06 3
-1.24431E-09 2.26702E-13 -3.02810E+04 7.71523E-02 4
O2 0C 0H 0O 2G 0300.00 5000.00 1000.00 1
3.19345E+00 1.56657E-03 -6.90657E-07 1.32082E-10 -9.23577E-15 2
-1.05228E+03 5.96618E+00 3.08809E+00 1.60342E-03 -5.34550E-07 3
2.80793E-11 2.98899E-15 -9.93828E+02 6.61069E+00 4
H2O2 0C 0H 2O 2G 0300.00 5000.00 1000.00 1
5.20269E+00 3.07820E-03 -8.47786E-07 1.14867E-10 -6.24436E-15 2
-1.81737E+04 -2.81106E+00 2.79724E+00 9.30806E-03 -3.27081E-06 3
-3.91853E-09 2.63341E-12 -1.75951E+04 9.47142E+00 4
CH4 0C 1H 4O 0G 0300.00 5000.00 1000.00 1
1.61991E+00 1.03080E-02 -3.71228E-06 6.14185E-10 -3.86748E-14 2
-1.00748E+04 9.98982E+00 2.31954E+00 6.54738E-03 -7.48051E-07 3
2.60912E-09 -1.95537E-12 -9.99764E+03 7.24965E+00 4
CH2O 0C 1H 2O 1 G 0300.00 5000.00 1000.00 1
2.91430E+00 6.64407E-03 -2.45282E-06 4.12836E-10 -2.63040E-14 2
-1.52827E+04 7.43680E+00 2.41049E+00 7.02041E-03 -4.22947E-06 3
4.40116E-09 -2.12647E-12 -1.49519E+04 1.06246E+01 4
CH3OH 0C 1H 4O 1 G 0300.00 5000.00 1000.00 1
3.27626E+00 1.05432E-02 -3.54918E-06 5.58743E-10 -3.39236E-14 2
-2.58917E+04 6.60656E+00 1.85957E+00 1.25312E-02 -4.47107E-06 3
1.73293E-09 -8.71066E-13 -2.52879E+04 1.46835E+01 4
CO2 0C 1H 0O 2 G 0300.00 5000.00 1000.00 1
2.73827E+00 6.09914E-03 -2.81755E-06 5.57282E-10 -3.99470E-14 2
-4.82637E+04 8.67355E+00 2.67844E+00 6.31159E-03 1.20975E-06 3
-7.46647E-09 3.79399E-12 -4.84134E+04 8.57691E+00 4
CH3O2H 0C 1H 4O 2 G 0300.00 5000.00 1000.00 1
6.37596E+00 1.07372E-02 -3.68666E-06 5.88827E-10 -3.61266E-14 2
-1.84341E+04 -6.12840E+00 3.09218E+00 1.80223E-02 -7.11862E-06 3
-1.47978E-09 1.45517E-12 -1.74300E+04 1.13028E+01 4
C2H2 0C 2H 2O 0 G 0300.00 5000.00 1000.00 1
3.00338E+00 7.58476E-03 -3.11008E-06 5.64312E-10 -3.79570E-14 2
2.62468E+04 5.29247E+00 2.54593E+00 1.14007E-02 -7.07123E-06 3
-6.00363E-10 1.71894E-12 2.60564E+04 6.56609E+00 4
C2H4 0C 2H 4O 0 G 0300.00 5000.00 1000.00 1
3.99720E-01 1.67299E-02 -6.80909E-06 1.22922E-09 -8.23928E-14 2
5.63749E+03 1.97729E+01 1.31810E+00 1.44460E-02 -2.74335E-06 3
-3.10835E-09 1.52772E-12 5.26817E+03 1.47233E+01 4
C2H6 0C 2H 6O 0 G 0300.00 5000.00 1000.00 1
3.94109E-01 2.11928E-02 -8.08560E-06 1.39339E-09 -9.03005E-14 2
-1.10714E+04 1.96366E+01 9.75454E-01 1.88110E-02 -1.46453E-06 3
-6.38247E-09 2.84067E-12 -1.13111E+04 1.65514E+01 4
CH2CO 0C 2H 2O 1 G 0300.00 5000.00 1000.00 1
5.35267E+00 6.94209E-03 -2.50061E-06 4.13231E-10 -2.59692E-14 2
-7.81007E+03 -3.80283E+00 2.99539E+00 1.23540E-02 -4.06499E-06 3
-3.34608E-09 2.24152E-12 -7.15097E+03 8.53716E+00 4
CH3CHO 0C 2H 4O 1 G 0300.00 5000.00 1000.00 1
0.05869E+02 0.10794E-01 -0.03646E-04 0.05413E-08 -0.02897E-12 2
-0.02265E+06 -0.06013E+02 -5.97842E+01 4.89059E-01 -1.27143E-03 3
1.42135E-06 -5.67547E-10 -1.52478E+04 2.71669E+02 4
!coefficients de CHEMKIN a haute temperature et THERGAS a basse temperature!
C2H5OH 0C 2H 6O 1 G 0300.00 5000.00 1000.00 1
5.62516E+00 1.59916E-02 -5.36799E-06 8.43422E-10 -5.11406E-14 2
-3.10498E+04 -3.61961E+00 9.39858E-01 2.61811E-02 -9.25134E-06 3
-3.45825E-09 2.62098E-12 -2.96238E+04 2.12634E+01 4
CH3OHCO 0C 2H 4O 2 G 0300.00 5000.00 1000.00 1
6.49235E+00 1.37029E-02 -4.83813E-06 7.88065E-10 -4.90158E-14 2
-5.52426E+04 -7.87675E+00 1.30241E+00 2.57455E-02 -9.76857E-06 3
-4.88314E-09 3.69546E-12 -5.37616E+04 1.93510E+01 4
C2H5O2 0C 2H 5O 2 G 0300.00 5000.00 1000.00 1
.11325327E+02 .82862452E-02 -.18620285E-05 .21820865E-09 -.10786769E-13 2
-.69868408E+04 -.32948765E+02 .67205608E+00 .36275715E-01 -.30000807E-04 3
.13847888E-07 -.28458303E-11 -.37891184E+04 .22886873E+02 4
C2H5O2H 0C 2H 6O 2 G 0300.00 5000.00 1000.00 1
8.86549E+00 1.46991E-02 -4.66630E-06 7.03129E-10 -4.13262E-14 2
-2.34663E+04 -1.74646E+01 2.03266E+00 3.20310E-02 -1.79773E-05 3
2.38766E-09 1.07206E-12 -2.15063E+04 1.82187E+01 4
CH3CO3 0C 2H 3O 3 G 0300.00 5000.00 1000.00 1
.11077361E+02 .65959496E-02 -.14068501E-05 .15560973E-09 -.72247150E-14 2
-.19400094E+05 -.29337929E+02 -.12573762E+01 .40412389E-01 -.36648889E-04 3
.17055577E-07 -.31536631E-11 -.15821930E+05 .34825279E+02 4
CH3CO3H 0C 2H 4O 3 G 0300.00 5000.00 1000.00 1
7.87651E+00 1.42400E-02 -4.81648E-06 7.62396E-10 -4.65514E-14 2
-4.39851E+04 -9.71105E+00 2.19569E-01 3.53131E-02 -2.24276E-05 3
3.22888E-09 1.67243E-12 -4.19548E+04 2.96617E+01 4
C2H5CHO 0C 3H 6O 1 G 0300.00 5000.00 1000.00 1
7.00923E+00 1.80165E-02 -6.23156E-06 1.00111E-09 -6.17084E-14 2
-2.56908E+04 -9.54021E+00 2.78861E+00 2.57043E-02 -6.85618E-06 3
-4.35448E-09 2.43940E-12 -2.42672E+04 1.33993E+01 4
C2H4O 0C 2H 4O 1 G 0300.00 5000.00 1000.00 1
4.47758E+00 1.35869E-02 -5.00744E-06 8.41742E-10 -5.35809E-14 2
-8.75035E+03 -1.34619E+00 -9.24908E-01 2.64513E-02 -1.34725E-05 3
3.74058E-10 1.40310E-12 -7.13279E+03 2.71327E+01 4
H 0C 0H 1O 0 G 0300.00 5000.00 1000.00 1
2.51730E+00 -2.10523E-06 1.23733E-09 -2.92977E-13 2.40914E-17 2
2.54640E+04 -5.54129E-01 2.52530E+00 -6.39368E-05 1.54095E-07 3
-1.54230E-10 5.47044E-14 2.54635E+04 -5.86360E-01 4
OH 0C 0H 1O 1 G 0300.00 5000.00 1000.00 1
2.16403E+00 2.49996E-03 -1.20620E-06 2.46260E-10 -1.80763E-14 2
4.19496E+03 9.54587E+00 3.67780E+00 -2.14153E-04 5.70231E-08 3
1.71404E-10 -1.84629E-14 3.63597E+03 1.19670E+00 4
HO2 0C 0H 1O 2 G 0300.00 5000.00 1000.00 1
4.72022E+00 1.38622E-03 -1.68457E-07 1.05843E-11 -2.40717E-16 2
-2.41430E+02 -6.85165E-01 1.84854E+00 1.07988E-02 -8.54635E-06 3
4.18415E-10 1.44074E-12 3.26446E+02 1.34319E+01 4
CH3 0C 1H 3O 0 G 0300.00 5000.00 1000.00 1
1.02702E+00 9.49641E-03 -3.82860E-06 6.86498E-10 -4.57900E-14 2
1.67624E+04 1.53006E+01 2.94974E+00 5.11940E-03 -8.75334E-07 3
6.64224E-10 -5.42393E-13 1.61486E+04 5.05087E+00 4
HCO 0C 1H 1O 1 G 0300.00 5000.00 1000.00 1
4.39893E+00 1.53560E-03 -1.99211E-07 1.43007E-11 -4.51357E-16 2
1.46590E+03 1.23461E+00 2.96884E+00 5.16190E-03 -6.79642E-06 3
7.15025E-09 -2.73201E-12 2.04422E+03 9.08982E+00 4
CH2OH 0C 1H 3O 1 G 0300.00 5000.00 1000.00 1
6.72615E+00 2.58400E-03 -3.43695E-07 2.58671E-11 -8.92075E-16 2
-5.93852E+03 -1.07401E+01 1.75181E+00 1.63562E-02 -2.19316E-05 3
2.01041E-08 -7.28744E-12 -4.21651E+03 1.57722E+01 4
CH3O 0C 1H 3O 1 G 0300.00 5000.00 1000.00 1
6.45804E+00 3.22182E-03 -5.09801E-07 4.41966E-11 -1.69366E-15 2
-8.23233E+02 -1.22475E+01 2.40571E-01 1.87747E-02 -2.13180E-05 3
1.81151E-08 -6.61230E-12 1.35827E+03 2.11815E+01 4
CH2O2H 0C 1H 3O 2 G 0300.00 5000.00 1000.00 1
1.01575E+01 2.21923E-03 -2.71559E-07 1.97488E-11 -7.06327E-16 2
9.23978E+02 -2.52115E+01 1.82419E+00 3.00692E-02 -4.32332E-05 3
3.42492E-08 -1.07827E-11 3.25193E+03 1.72697E+01 4
CH3O2 0C 1H 3O 2 G 0300.00 5000.00 1000.00 1
9.76413E+00 3.04276E-03 -4.67054E-07 3.87833E-11 -1.39425E-15 2
-1.91174E+03 -2.69241E+01 1.48937E+00 2.40776E-02 -2.38748E-05 3
1.51535E-08 -4.47557E-12 7.64340E+02 1.69852E+01 4
C2H 0C 2H 1O 0 G 0300.00 5000.00 1000.00 1
6.02264E+00 8.77475E-04 -8.67941E-08 3.67081E-12 1.93550E-17 2
6.20557E+04 -9.36163E+00 1.89603E+00 1.61116E-02 -1.74770E-05 3
5.93645E-09 3.50654E-13 6.28086E+04 1.05397E+01 4
C2H3 0C 2H 3O 0 G 0300.00 5000.00 1000.00 1
3.27253E+00 8.18550E-03 -2.26647E-06 3.09596E-10 -1.70006E-14 2
3.39897E+04 7.07663E+00 2.29441E+00 1.02693E-02 -3.45618E-06 3
3.18937E-10 6.99872E-14 3.43028E+04 1.23194E+01 4
C2H5 0C 2H 5O 0 G 0300.00 5000.00 1000.00 1
3.50261E+00 1.26143E-02 -3.65730E-06 5.16642E-10 -2.90469E-14 2
1.24032E+04 5.44236E+00 5.46580E-01 2.04368E-02 -1.16694E-05 3
4.82541E-09 -1.19281E-12 1.32743E+04 2.09001E+01 4
HCCO OC 2H 1O 1 G 0300.00 5000.00 1000.00 1
0.06758073E+02 0.02000400E-01-0.02027607E-05-0.01041132E-08 0.01965165E-12 2
0.01901513E+06-0.09071262E+02 0.05047965E+02 0.04453478E-01 0.02268283E-05 3
-0.01482095E-07 0.02250742E-11 0.01965892E+06 0.04818439E+01 4
CH2CHO 0C 2H 3O 1 G 0300.00 5000.00 1000.00 1
0.05976E+02 0.08131E-01 -0.02744E-04 0.04070E-08 -0.02176E-12 2
0.04903E+04 -0.05045E+02 -5.49040E+01 4.51253E-01 -1.17037E-03 3
1.30375E-06 -5.19201E-10 7.54530E+03 2.51103E+02 4
!coefficients de CHEMKIN a haute temperature et THERGAS a basse temperature!
CH3CO 0C 2H 3O 1 G 0300.00 5000.00 1000.00 1
5.17844E+00 8.15192E-03 -2.10111E-06 2.71446E-10 -1.42897E-14 2
-5.94327E+03 -2.17361E-01 3.78076E+00 5.97858E-03 8.17510E-06 3
-8.25542E-09 1.81654E-12 -5.11877E+03 8.85731E+00 4
C2H4OHP 0C 2H 5O 1 G 0300.00 5000.00 1000.00 1
9.39205E+00 7.10512E-03 -1.46197E-06 1.56731E-10 -7.08032E-15 2
-7.55283E+03 -2.24447E+01 -1.60895E-01 3.69785E-02 -4.20936E-05 3
2.86827E-08 -8.21586E-12 -4.88243E+03 2.65306E+01 4
C2H4OHS 0C 2H 5O 1 G 0300.00 5000.00 1000.00 1
8.62875E+00 7.87632E-03 -1.71370E-06 1.94535E-10 -9.32452E-15 2
-1.13847E+04 -1.81140E+01 1.77720E+00 2.41611E-02 -1.64825E-05 3
6.75643E-09 -1.21081E-12 -9.15277E+03 1.84275E+01 4
C2H5O 0C 2H 5O 1 G 0300.00 5000.00 1000.00 1
8.79327E+00 8.37917E-03 -1.93446E-06 2.29371E-10 -1.13191E-14 2
-6.03107E+03 -2.23324E+01 -6.00093E-01 3.17670E-02 -2.42586E-05 3
1.08137E-08 -2.26856E-12 -3.08491E+03 2.73650E+01 4
CH2OHCO 0C 2H 3O 2 G 0300.00 5000.00 1000.00 1
1.10189E+01 4.53439E-03 -8.65589E-07 8.88128E-11 -3.95962E-15 2
-3.35939E+04 -3.29218E+01 1.28829E-01 3.46503E-02 -3.43482E-05 3
1.86734E-08 -4.32868E-12 -3.03821E+04 2.38157E+01 4
C2H4O2H 0C 2H 5O 2 G 0300.00 5000.00 1000.00 1
1.19639E+01 6.99398E-03 -1.39221E-06 1.46301E-10 -6.56315E-15 2
-1.64410E+02 -3.25611E+01 9.12805E-01 4.29306E-02 -5.09705E-05 3
3.45647E-08 -9.73011E-12 2.78459E+03 2.35878E+01 4
C3H4 0C 3H 4 G 0300.00 5000.00 1000.00 1
.54693928E+01 .12151568E-01 -.43443515E-05 .71433565E-09 -.44747395E-13 2
.19852377E+05 -.54474335E+01 .22271647E+01 .19307628E-01 -.70081351E-05 3
-.27282026E-08 .21393857E-11 .20828311E+05 .11726395E+02 4
C3H6 0C 3H 6 G 0300.00 5000.00 1000.00 1
.50026493E+01 .17638993E-01 -.62266308E-05 .10151433E-08 -.63235977E-13 2
-.27056152E+03 -.24723434E+01 .55598283E+00 .27091531E-01 -.10752104E-04 3
-.97539210E-09 .14314721E-11 .11570190E+04 .21344173E+02 4
C3H8 0C 3H 8 G 0300.00 5000.00 1000.00 1
.54638848E+01 .22160569E-01 -.77296281E-05 .12495476E-08 -.77377605E-13 2
-.15629374E+05 -.62309151E+01 -.31831896E+00 .34746405E-01 -.12885018E-04 3
-.35057037E-08 .30165358E-11 -.13851594E+05 .24514595E+02 4
C4H2 0C 4H 2 G 0300.00 5000.00 1000.00 1
.82167263E+01 .75165699E-02 -.28333620E-05 .48376197E-09 -.31125981E-13 2
.53914359E+05 -.19323837E+02 .45411844E+01 .16946664E-01 -.58588685E-05 3
-.70578716E-08 .47811238E-11 .54806316E+05-.54062080E+00 4
C4H4 0C 4H 4 G 0300.00 5000.00 1000.00 1
.74600129E+01 .13268776E-01 -.48047741E-05 .79804358E-09 -.50392033E-13 2
.33450691E+05 -.13594856E+02 .18884374E+01 .27130427E-01 -.11816426E-04 3
-.46318047E-08 .40962659E-11 .34956789E+05 .15309685E+02 4
C4H6 0C 4H 6 G 0300.00 5000.00 1000.00 1
.80518456E+01 .17540889E-01 -.61760657E-05 .10047656E-08 -.62479542E-13 2
.95697949E+04 -.18611710E+02 -.29224473E+00 .38725201E-01 -.16706719E-04 3
-.81080902E-08 .67421541E-11 .11749236E+05 .24444702E+02 4
UC4H8 0C 4H 8 G 0300.00 5000.00 1000.00 1
.12072002E+02 .17483519E-01 -.47358262E-05 .63614963E-09 -.34500855E-13 2
.34200605E+04 -.37559532E+02 -.86302972E+00 .53421453E-01 -.45552202E-04 3
.24475971E-07 -.60568863E-11 .72361128E+04 .29821739E+02 4
NC4H10 0C 4H 10 G 0300.00 5000.00 1000.00 1
.77133317E+01 .27767614E-01 -.96156327E-05 .15456056E-08 -.95281279E-13 2
-.19425240E+05 -.16262451E+02 .59979584E-01 .44005580E-01 -.15532127E-04 3
-.52806315E-08 .40442116E-11 -.17040045E+05 .24565849E+02 4
C2H3CHO 0C 3H 4O 1 G 0300.00 5000.00 1000.00 1
.12311886E+02 .12961588E-01 -.61774654E-05 .12501405E-08 -.91169971E-13 2
-.15218951E+05 -.42303177E+02 .93137437E+00 .35574418E-01 -.33347264E-04 3
.28398034E-07 -.11395644E-10 -.10614329E+05 .21059492E+02 4
C2H5CHO 0C 3H 6O 1 G 0300.00 5000.00 1000.00 1
.70107722E+01 .18013448E-01 -.62295217E-05 .10005839E-08 -.61661722E-13 2
-.25691457E+05 -.95488281E+01 .28277023E+01 .25430365E-01 -.61913220E-05 3
-.50245177E-08 .26785609E-11 -.24271348E+05 .13234089E+02 4
CH3OCH3 0C 2H 6O 1 G 0300.00 5000.00 1000.00 1
.48582563E+01 .17240373E-01 -.59518788E-05 .95503494E-09 -.58825550E-13 2
-.24755031E+05 -.13852615E+01 .20368140E+01 .21299208E-01 -.51627690E-05 3
-.20305686E-08 .88250571E-12 -.23667908E+05 .14411049E+02 4
CH3OOCH3 0C 2H 6O 2 G 0300.00 5000.00 1000.00 1
.83690472E+01 .14833436E-01 -.46565133E-05 .69703088E-09 -.40832690E-13 2
-.18533230E+05 -.15578167E+02 .30638237E+01 .28614834E-01 -.24377980E-04 3
.19129631E-07 -.72663607E-11 -.16707926E+05 .12810528E+02 4
NC3H7OH 0C 3H 8O 1 G 0300.00 5000.00 1000.00 1
.71674681E+01 .22466624E-01 -.76292372E-05 .12097231E-08 -.73884075E-13 2
-.34686773E+05 -.95393562E+01 .12350693E+01 .34453284E-01 -.10589133E-04 3
-.54856804E-08 .35146994E-11 -.32804938E+05 .22268148E+02 4
HOCH2CH2OH 0C 2H 6O 2 G 0300.00 5000.00 1000.00 1
.94605846E+01 .00000000E+00 .00000000E+00 .00000000E+00 .00000000E+00 2
-.50706793E+05 -.15255096E+02 .94605846E+01 .00000000E+00 .00000000E+00 3
.00000000E+00 .00000000E+00 -.50706793E+05 -.15255096E+02 4
CH3COCH3 0C 3H 6O 1 G 0300.00 5000.00 1000.00 1
.59975996E+01 .19679097E-01 -.70154574E-05 .11513579E-08 -.72035416E-13 2
-.29362656E+05 -.55254784E+01 .14577827E+01 .28063715E-01 -.90218518E-05 3
-.24536706E-08 .16730232E-11 -.27794104E+05 .19218454E+02 4
C2H5COCH3 0C 4H 8O 1 G 0300.00 5000.00 1000.00 1
.87888947E+01 .24174010E-01 -.83446403E-05 .13376648E-08 -.82271822E-13 2
-.33018367E+05 -.17819489E+02 .27316518E+01 .35815358E-01 -.11085016E-04 3
-.44516226E-08 .28435873E-11 -.31006189E+05 .14949604E+02 4
CH3COCHO 0C 3H 4O 2 G 0300.00 5000.00 1000.00 1
.89256687E+01 .13401341E-01 -.45334914E-05 .71644690E-09 -.43629983E-13 2
-.36391773E+05 -.23305817E+02 .36583393E+01 .17818777E-01 .12335082E-04 3
-.25004601E-07 .96781515E-11 -.34470117E+05 .63711262E+01 4
CH3COCH2OH 0C 3H 6O 2 G 0300.00 5000.00 1000.00 1
.18422323E+02 .15847507E-02 .22200786E-05 -.75747592E-09 .68857395E-13 2
-.52232094E+05 -.69094208E+02 .29494412E+01 .29086677E-01 -.10206494E-04 3
-.26419480E-09 .92838457E-13 -.46496102E+05 .16329613E+02 4
CH3COCOCH3 0C 4H 6O 2 G 0300.00 5000.00 1000.00 1
.10088178E+02 .20814884E-01 -.72801195E-05 .11796960E-08 -.73203515E-13 2
-.44156449E+05 -.21426254E+02 .20524170E+01 .39215170E-01 -.16422011E-04 3
-.39475361E-08 .38206075E-11 -.41770484E+05 .20989098E+02 4
END
REACTIONS
!REACTIONS DE LA MATRICE O(0)C(y)H(z)!
!REACTIONS DE H2!
H2+M=H+H+M 2.2E14 0. 95.7E3 !(1,-1)<BAULCH94>
!REACTIONS DE C
C+H2=CH+H 4.0E14 0. 23.3E3 !(2,-2)<DEAN91>
!REACTIONS DE CH2(S)
CH2(S)+M=CH2+M 6.0E12 0. 0. !(3,-3)<BAULCH94average>
CH2(S)+H=CH+H2 3.0E13 0. 0. !(4,-4)<TSANG86>
!REACTIONS DE CH2
CH2+H=CH+H2 6.0E12 0. -1.8E3 !(5,-5)<BAULCH94>
CH2+C=C2H+H 5.0E13 0. 0. !(6,-6)<RANZI94>
CH2+CH2=>C2H2+H+H 1.2E14 0. 0.8E3 !(7) <BAULCH94>
!REACTIONS DE CH3
CH3+M=CH2+H+M 1.0E16 0. 90.4E3 !(8,-8)<BAULCH94>
CH3+H=CH2(S)+H2 6.0E13 0. 15.0E3 !(9,-9)<BAULCH94>
CH3+CH=C2H3+H 3.0E13 0. 0. !(10,-10)<DAGAUT91>
CH3+CH2(S)=C2H4+H 1.8E13 0. 0. !(11,-11)<TSANG86>
CH3+CH2=C2H4+H 4.2E13 0. 0. !(12,-12)<BAULCH94>
CH3+C=C2H2+H 5.0E13 0. 0. !(13,-13)<RANZI94>
CH3+CH3(+M)=C2H6(+M) 3.6E13 0. 0. !(14,-14)<BAULCH94>
LOW /1.3E41 -7. 3.0E3/
!-------------------------------------------------------------------------------------!
!fittings (20/12/94, F. Battin-Leclerc) on CH4-02 system in PSR between 500 and 1300C!
!CH3+CH3(+M)=C2H6(+M) 1.5E14 0. 0.! !(14,-14)<BAULCH94*4>!
! LOW /5.2E41 -7. 3.0E3/!
!-------------------------------------------------------------------------------------!
TROE /0.62 73. 1180./
CH3+CH3=C2H5+H 3.0E13 0. 13.5E3 !(15,-15)<BAULCH94>
!-------------------------------------------------------------------------------------!
!fittings (20/12/94, F. Battin-Leclerc) on CH4-02 system in PSR between 500 and 1300C!
!CH3+CH3=C2H5+H 1.5E14 0. 13.5E3! !(15,-15)<BAULCH94*5>!
!-------------------------------------------------------------------------------------!
CH3+CH3=C2H4+H2 2.1E14 0. 19.3E3 !(16,-16)<FRANK86NIST>!
!REACTIONS DE CH4
CH4(+M)=CH3+H(+M) 2.4E16 0. 104.5E3 !(17,-17)<BAULCH94>
LOW /4.5E17 0. 90.5E3/
TROE /1. 1. 1350. 7830./
CH4+H=CH3+H2 1.3E4 3. 8.0E3 !(18,-18)<BAULCH94>
CH4+CH=C2H4+H 3.0E13 0. -0.4E3 !(19,-19)<DAGAUT91BAULCH94>
CH4+CH2(S)=CH3+CH3 4.2E13 0. 0. !(20,-20)<TSANG86>
!REACTIONS DE C2H
C2H+CH2(S)=C2H2+CH 1.8E13 0. 0. !(21,-21)<TSANG86>
C2H+CH2=C2H2+CH 1.8E13 0. 0. !(22,-22)<TSANG86>
C2H+CH4=C2H2+CH3 1.2E12 0. 0. !(23,-23)<BAULCH94>
C2H+C2H=C4H2 1.8E13 0. 0. !(24,-24)<TSANG86>
!REACTIONS DE C2H2
C2H2=C2H+H 2.6E15 0. 123.9E3 !(25,-25)<TSANG86>
C2H2+H=C2H+H2 6.6E13 0. 27.7E3 !(26,-26)<BAULCH94>
C2H2+CH2(S)=C3H4 1.7E14 0. 0. !(27,-27)<BAULCH94>
C2H2+CH2=C3H4 3.5E12 0. 0. !(28,-28)<TSANG86>
C2H2+CH3=C3H4+H 6.7E19 -2.08 31.6E3 !(29,-29)<DEAN87>
C2H2+C2H=C4H2+H 9.0E13 0. 0. !(30,-30)<BAULCH94>
C2H2+C2H2=C4H4 5.5E12 0. 37.0E3 !(31,-31)<DURAN89>
!REACTIONS DE C2H3
C2H3(+M)=C2H2+H(+M) 2.0E14 0. 40.0E3 !(32,-32)<BAULCH94>
LOW /4.1E41 -7.5 45.3E3/
TROE /0.35 1. 1.0E8/
C2H3+H=C2H2+H2 1.2E13 0. 0. !(33,-33)<BAULCH94>
C2H3+CH2(S)=C2H2+CH3 1.8E13 0. 0. !(34,-34)<TSANG86>
C2H3+CH2=C2H2+CH3 1.8E13 0. 0. !(35,-35)<TSANG86>
C2H3+CH3=CH4+C2H2 3.9E11 0. 0. !(36,-36)<TSANG86>
C2H3+CH3=C3H6 2.5E13 0. 0. !(37,-37)<TSANG86>
C2H3+C2H=C4H4 1.8E13 0. 0. !(38,-38)<TSANG86>
C2H3+C2H=2C2H2 9.6E11 0. 0. !(39,-39)<TSANG86>
C2H3+C2H2=C4H4+H 2.0E12 0. 5.0E3 !(40,-40)<FAHR89>
C2H3+C2H3=C4H6 9.6E12 0. 0. !(41,-41)<TSANG86>
C2H3+C2H3=C2H4+C2H2 9.6E11 0. 0. !(42,-42)<TSANG86>
!REACTIONS DE C2H4
C2H4+M=C2H2+H2+M 3.5E16 0. 71.3E3 !(43,-43)<BAULCH94>
C2H4+M=C2H3+H+M 2.6E17 0. 96.2E3 !(44,-44)<BAULCH94>
C2H4+H=C2H3+H2 5.4E14 0 14.8E3 !(45,-45)<BAULCH94>
C2H4+CH=C3H4+H 1.3E14 0. -0.3E3 !(46,-46)<BAULCH94>
C2H4+CH2(S)=C3H6 9.6E13 0. 0. !(47,-47)<BAULCH94>
C2H4+CH2=C3H6 3.2E12 0. 5.1E3 !(48,-48)<BAULCH94>
C2H4+CH3=CH4+C2H3 4.1E12 0. 11.1E3 !(49,-49)<BAULCH94>
C2H4+C2H=C4H4+H 1.2E13 0. 0. !(50,-50)<TSANG86>
C2H4+C2H3=C4H6+H 5.0E11 0. 7.3E3 !(51,-51)<TSANG86>
!REACTIONS DE C2H5
C2H5(+M)=C2H4+H(+M) 8.2E13 0. 40.0E3 !(52,-52)<BAULCH94>
LOW /1.0E18 0. 33.3E3/
TROE /0.75 97. 1379./
C2H5+H=C2H4+H2 1.8E12 0. 0. !(53,-53)<TSANG86>
C2H5+H=C2H6 3.6E13 0. 0. !(54,-54><TSANG86>
C2H5+CH2(S)=C2H4+CH3 9.0E12 0. 0. !(55,-55)<TSANG86>
C2H5+CH2(S)=C3H6+H 9.0E12 0. 0. !(56,-56)<TSANG86>
C2H5+CH2=C2H4+CH3 1.8E13 0. 0. !(57,-57)<TSANG86>
C2H5+CH3=C2H4+CH4 1.1E12 0. 0. !(58,-58)<BAULCH94>
C2H5+CH3=C3H8 3.4E13 0. 0. !(59,-59)<BAULCH94>
C2H5+C2H=C2H2+C2H4 1.8E12 0 0. !(60,-60)<TSANG86>
C2H5+C2H3=UC4H8 1.5E13 0. 0. !(61,-61)<TSANG86>
C2H5+C2H3=2C2H4 4.8E11 0. 0. !(62,-62)<TSANG86>
C2H5+C2H3=C2H2+C2H6 4.8E11 0. 0. !(63,-63)<TSANG86>
C2H5+C2H5=C2H4+C2H6 1.4E12 0. 0. !(64,-64)<BAULCH94>
C2H5+C2H5=NC4H10 1.1E13 0. 0. !(65,-65)<BAULCH94>
!REACTIONS DE C2H6
C2H6+M=C2H4+H2+M 2.3E17 0. 67.4E3 !(66,-66)<SCHULTZ85NIST>
C2H6+H=C2H5+H2 1.4E9 1.5 7.4E3 !(67,-67)<BAULCH94>
C2H6+CH=C3H6+H 1.1E14 0. -0.3E3 !(68,-68)<BAULCH94>
C2H6+CH2(S)=CH3+C2H5 1.1E14 0. 0. !(69,-69)<TSANG86>
C2H6+CH3=C2H5+CH4 1.5E-7 6.0 5.8E3 !(70,-70)<BAULCH94>
C2H6+C2H=C2H2+C2H5 3.6E12 0. 0. !(71,-71)<TSANG86>
C2H6+C2H3=C2H5+C2H4 6.0E2 3.3 10.5E3 !(72,-72)<TSANG86>
!REACTIONS DE LA MATRICE O(x)C(y)H(z) x>0
!REACTIONS DE O
O+H2=OH+H 5.1E4 2.67 6.2E3 !(73,-73)<BAULCH94>
O+CH=CO+H 3.9E13 0. 0. !(74,-74)<BAULCH94>
O+CH=C+OH 1.5E13 0. 4.7E3 !(75,-75)<MURRELL86>
O+CH2(S)=>CO+2H 1.5E13 0. 0. !(76) <TSANG86>
O+CH2(S)=CO+H2 1.5E13 0. 0. !(77,-77)<TSANG86>
O+CH2=>CO+2H 7.2E13 0. 0. !(78) <BAULCH94>
O+CH2=CO+H2 4.8E13 0. 0. !(79,-79)<BAULCH94>
O+CH3=CH2O+H 8.4E13 0. 0. !(80,-80)<BAULCH94>
O+CH3=CH3O 8.0E15 -2.12 0.6E3 !(81,-81)<DEAN87>
O+CH4=CH3+OH 7.2E8 1.56 8.4E3 !(82,-82)<BAULCH94>
O+C2H=CH+CO 1.0E13 0. 0. !(83,-83)<DAGAUT91>
O+C2H2=HCCO+H 6.5E3 2.8 0.5E3 !(84,-84)<DAGAUT91>
O+C2H2=CH2+CO 1.5E4 2.8 0.5E3 !(85,-85)<DAGAUT91>
O+C2H3=CH3+CO 3.0E13 0. 0. !(86,-86)<DAGAUT91>
O+C2H3=CH2CO+H 9.6E13 0. 0. !(87,-87)<TSANG86>
O+C2H4=CH3+HCO 8.1E6 1.88 0.2E3 !(88,-88)<BAULCH94>
O+C2H4=CH2O+CH2 4.00E5 1.88 0.2E3 !(89,-89)<BAULCH94>
O+C2H4=CH2CO+H2 6.6E5 1.88 0.2E3 !(90,-90)<BAULCH94>
O+C2H4=CH2CHO+H 4.7E6 1.88 0.2E3 !(91,-91)<BAULCH94>
O+C2H4=OH+C2H3 1.5E7 1.91 3.7E3 !(92,-92)<MAHMUD87>
O+C2H5=CH2O+CH3 1.1E13 0. 0. !(93,-93)<BAULCH94>
O+C2H5=CH3CHO+H 5.5E13 0. 0. !(94,-94)<BAULCH94>
O+C2H5=C2H4+OH 3.0E13 0. 0. !(95,-95)<DAGAUT91>
O+C2H6=C2H5+OH 1.0E9 1.5 5.8E3 !(96,-96)<BAULCH94>
!REACTIONS DE OH
OH+M=O+H+M 2.4E15 0. 99.0E3 !(97,-97><TSANG86>
OH+H+M=H2O+M 2.4E22 -2.0 0. !(98,-98)<BAULCH94>
OH+H2=H+H2O 1.0E8 1.6 3.3E3 !(99,-99)<BAULCH94>
OH+C=CO+H 5.0E13 0. 0. !(100,-100)<RANZI94>
OH+CH=HCO+H 3.0E13 0. 0. !(101,-101)<DAGAUT91>
OH+CH2(S)=CH2O+H 3.0E13 0. 0. !(102,-102)<TSANG86>
OH+CH2=CH2O+H 1.8E13 0. 0. !(103,-103)<TSANG86>
OH+CH3=CH2(S)+H2O 7.2E13 0. 2.7E3 !(104,-104)<BAULCH94>
OH+CH3(+M)=CH3OH(+M) 6.0E13 0. 0. !(105,-105)<BAULCH94>
LOW /1.6E44 -8.2 0./
TROE /0.82 200. 1438./
OH+CH3=CH2O+H2 3.2E12 -0.53 10.8E3 !(106,-106)<DAGAUT91>
OH+CH3=CH3O+H 5.7E12 -0.23 13.9E3 !(107,-107)<DAGAUT91>
OH+CH4=CH3+H2O 1.6E7 1.83 2.7E3 !(108,-108)<BAULCH94>
OH+C2H=C2H2+O 1.8E13 0. 0. !(109,-109)<TSANG86>
OH+C2H=CH2+CO 1.8E13 0. 0. !(110,-110)<TSANG86>
OH+C2H=HCCO+H 2.0E13 0. 0. !(111,-111)<DAGAUT91>
OH+C2H2=C2H+H2O 1.4E4 2.68 12.0E3 !(112,-112)<TSANG86>
OH+C2H2=CH2CO+H 2.2E-4 4.5 -1.0E3 !(113,-113)<DAGAUT91>
OH+C2H2=CH3+CO 4.8E-4 4. -2.0E3 !(114,-114)<DAGAUT91>
OH+C2H3=C2H2+H2O 3.0E13 0. 0. !(115,-115)<TSANG86>
OH+C2H3=CH3CHO 3.0E13 0. 0. !(116,-116)<TSANG86>
OH+C2H4=C2H3+H2O 2.0E13 0. 5.9E3 !(117,-117)<BAULCH94>
OH+C2H4=CH3+CH2O 2.0E12 0. 0.9E3 !(118,-118)<GLARBORG86>
OH+C2H5=C2H4+H2O 2.4E13 0. 0. !(119,-119)<TSANG86>
OH+C2H5=>CH3+H+CH2O 2.4E13 0. 0. !(120) <TSANG86>
OH+C2H6=C2H5+H2O 7.2E6 2. 0.9E3 !(121,-121)<BAULCH94>
OH+OH=H2O+O 1.5E9 1.14 0.1E3 !(122,-122)<BAULCH94>
!REACTIONS DE H2O
H2O+CH=CH2OH 5.7E12 0. -0.8E3 !(123,-123)<BAULCH94>
H2O+CH2(S)=CH3OH 1.8E13 0. 0. !(124,-124)<TSANG86>
!REACTIONS DE CO
CO+CH3(+M)=CH3CO(+M) 5.0E11 0. 6.9E3 !(125,-125)<BAULCH94>
LOW /1.1E14 0. 3.8E3/
TROE /0.5 1. 1.0E8/
CO+O+M=CO2+M 6.2E14 0. 3.0E3 !(126,-126)<TSANG86>
CO+OH=CO2+H 6.3E6 1.5 -0.5E3 !(127,-127)<BAULCH94>
!REACTIONS DE HCO
HCO+M=H+CO+M 1.6E14 0. 15.7E3 !(128,-128)<BAULCH94>
HCO+H=H2+CO 9.0E13 0. 0. !(129,-129)<BAULCH94>
HCO+H=O+CH2 4.0E13 0. 102.5E3 !(130,-130)<TSUBOI81>
HCO+CH2(S)=CH3+CO 1.8E13 0. 0. !(131,-131)<TSANG86>
HCO+CH2=CH3+CO 1.8E13 0. 0. !(132,-132)<TSANG86>
HCO+CH3=CH4+CO 1.2E14 0. 0. !(133,-133)<TSANG86>
HCO+CH3=CH3CHO 1.8E13 0. 0. !(134,-134)<TSANG86>
HCO+CH4=CH3+CH2O 7.3E3 2.85 22.4E3 !(135,-135)<TSANG86>
HCO+C2H=C2H2+CO 6.0E13 0. 0. !(136,-136)<TSANG86>
HCO+C2H3=C2H4+CO 9.0E13 0. 0. !(137,-137)<TSANG86>
HCO+C2H3=C2H3CHO 1.8E13 0. 0. !(138,-138)<TSANG86>
HCO+C2H4=C2H3+CH2O 9.0E10 0. 5.4E3 !(139,-139)<LESCLAUX86NIST>
HCO+C2H5=C2H6+CO 1.2E14 0. 0. !(140,-140)<TSANG86>
HCO+C2H5=C2H5CHO 1.8E13 0. 0. !(141,-141)<TSANG86>
HCO+C2H6=C2H5+CH2O 4.7E4 2.72 18.2E3 !(142,-142)<TSANG86>
HCO+O=H+CO2 3.0E13 0. 0. !(143,-143)<BAULCH94>
HCO+O=OH+CO 3.0E13 0. 0. !(144,-144)<BAULCH94>
HCO+OH=H2O+CO 1.1E14 0. 0. !(145,-145)<BAULCH94>
HCO+HCO=CH2O+CO 3.0E13 0. 0. !(146,-146)<BAULCH94>
!REACTIONS DE CH2O
CH2O+M=HCO+H+M 4.9E35 -5.54 96.3E3 !(147,-147)<BAULCH94>
CH2O+M=CO+H2+M 1.1E36 -5.54 96.3E3 !(148,-148)<BAULCH94>
CH2O+H=HCO+H2 1.3E8 1.62 2.1E3 !(149,-149)<BAULCH94>
CH2O+CH=CH2CHO 9.6E13 0. -0.5E3 !(150,-150)<BAULCH94average>
CH2O+CH2(S)=CH3+HCO 1.2E12 0. 0. !(151,-151)<TSANG86>
CH2O+O=HCO+OH 4.1E11 0.57 2.7E3 !(152,-152)<BAULCH94>
CH2O+OH=HCO+H2O 3.4E9 1.18 -0.4E3 !(153,-153)<BAULCH94>
!REACTIONS DE CH3O
CH3O+M=CH2O+H+M 5.4E13 0. 13.4E3 !(154,-154)<BAULCH94>
CH3O+H=CH2O+H2 1.8E13 0. 0. !(155,-155)<BAULCH94>
CH3O+CH2(S)=CH3+CH2O 1.8E13 0. 0. !(156,-156)<TSANG86>
CH3O+CH2=CH3+CH2O 1.8E13 0. 0. !(157,-157)<TSANG86>
CH3O+CH3=CH2O+CH4 2.4E13 0. 0. !(158,-158)<TSANG86>
CH3O+CH3=CH3OCH3 1.2E13 0. 0. !(159,-159)<TSANG86>
CH3O+CH4=CH3+CH3OH 1.6E11 0. 8.8E3 !(160,-160)<TSANG86>
CH3O+C2H=CH2O+C2H2 2.4E13 0. 0. !(161,-161)<TSANG86>
CH3O+C2H3=CH2O+C2H4 2.4E13 0. 0. !(162,-162)<TSANG86>
CH3O+C2H4=CH2O+C2H5 1.2E11 0. 6.7E3 !(163,-163)<TSANG86>
CH3O+C2H5=CH2O+C2H6 2.4E13 0. 0. !(164,-164)<TSANG86>
CH3O+C2H6=C2H5+CH3OH 2.4E11 0. 7.0E3 !(165,-165)<TSANG86>
CH3O+O=CH2O+OH 1.8E12 0. 0. !(166,-166)<BAULCH94>
CH3O+OH=CH2O+H2O 1.8E13 0. 0. !(167,-167)<TSANG86>
CH3O+CO=CH3+CO2 1.6E13 0. 11.7E3 !(168,-168)<TSANG86>
CH3O+HCO=CH3OH+CO 9.1E13 0. 0. !(169,-169)<TSANG86>
CH3O+CH2O=CH3OH+HCO 1.0E11 0. 3.0E3 !(170,-170)<TSANG86>
CH3O+CH3O=CH3OH+CH2O 6.0E13 0. 0. !(171,-171)<TSANG86>
CH3O+CH3O=CH3OOCH3 1.8E12 0. 0. !(172,-172)<TSANG86>
!REACTIONS DE CH2OH
CH2OH+M=H+CH2O+M 4.5E25 -2.5 34.2E3 !(173,-173)<TSANG87>
CH2OH+H=CH3+OH 9.6E13 0. 0. !(174,-174)<TSANG87>
CH2OH+H=CH2O+H2 6.0E12 0. 0. !(175,-175)<TSANG87>
CH2OH+H2=CH3OH+H 6.7E5 2. 13.4E3 !(176,-176)<TSANG87>
CH2OH+CH2(S)=CH3CHO+H 1.8E13 0. 0. !(177,-177)<TSANG87>
CH2OH+CH2=C2H4+OH 2.4E13 0. 0. !(178,-178)<TSANG87>
CH2OH+CH2=CH3+CH2O 1.2E12 0. 0. !(179,-179)<TSANG87>
CH2OH+CH3=CH4+CH2O 1.4E13 0. 0. !(180,-180)<TSANG87>
CH2OH+CH3=C2H5OH 1.2E13 0. 0. !(181,-181)<TSANG87>
CH2OH+CH4=CH3OH+CH3 21.7 3.1 16.2E3 !(182,-182)<TSANG87>
CH2OH+C2H=C2H2+CH2O 4.8E13 0. 0. !(183,-183)<TSANG87average>
CH2OH+C2H2=C2H3+CH2O 7.2E11 0. 9.0E3 !(184,-184)<TSANG87>
CH2OH+C2H3=C2H4+CH2O 3.0E13 0. 0. !(186,-186)<TSANG87>
CH2OH+C2H5=C2H4+CH3OH 2.4E12 0. 0. !(187,-187)<TSANG87>
CH2OH+C2H5=C2H6+CH2O 2.4E12 0. 0. !(188,-188)<TSANG87>
CH2OH+C2H5=NC3H7OH 1.2E13 0. 0. !(189,-189)<TSANG87>
CH2OH+C2H6=CH3OH+C2H5 199. 3. 14.0E3 !(190,-190)<TSANG87>
CH2OH+O=CH2O+OH 4.2E13 0. 0. !(191,-191)<TSANG87>
CH2OH+OH=H2O+CH2O 2.4E13 0. 0. !(192,-192)<TSANG87>
CH2OH+H2O=CH3OH+OH 1.6E14 0. 26.3E3 !(193,-193)<TSUBOI81NIST>
CH2OH+HCO=CH3OH+CO 1.2E14 0. 0. !(194,-194)<TSANG87>
CH2OH+HCO=CH2O+CH2O 1.8E14 0. 0. !(195,-195)<TSANG87>
CH2OH+CH2O=CH3OH+HCO 5.5E3 2.8 5.9E3 !(196,-196)<TSANG87>
CH2OH+CH3O=CH3OH+CH2O 2.4E13 0. 0. !(197,-197)<TSANG87>
CH2OH+CH2OH=CH3OH+CH2O 4.8E12 0. 0. !(198,-198)<TSANG87>
CH2OH+CH2OH=HOCH2CH2OH 9.6E12 0. 0. !(199,-199)<TSANG87>
!REACTIONS DE CH3OH
CH3OH+H=CH3+H2O 2.0E14 0. 5.3E3 !(200,-200)<HIDAKA89NIST>
CH3OH+H=CH3O+H2 4.2E6 2.1 4.9E3 !(201,-201)<TSANG87>
CH3OH+CH2(S)=CH2OH+CH3 1.5E12 0. 0. !(202,-202)<TSANG87>
CH3OH+CH2=CH3+CH2OH 31.9 3.2 7.2E3 !(203,-203)<TSANG87>
CH3OH+CH2=CH3+CH3O 14.4 3.1 6.9E3 !(204,-204)<TSANG87>
CH3OH+C2H=C2H2+CH2OH 6.0E12 0. 0. !(205,-205)<TSANG87>
CH3OH+C2H=C2H2+CH3O 1.2E12 0. 0. !(206,-206)<TSANG87>
CH3OH+C2H3=C2H4+CH2OH 31.9 3.2 7.2E3 !(207,-207)<TSANG87>
CH3OH+C2H3=C2H4+CH3O 14.4 3.1 6.9E3 !(208,-208)<TSANG87>
CH3OH+O=CH2OH+OH 3.4E13 0. 5.5E3 !(209,-209)<GROTHEER81NIST>
CH3OH+O=CH3O+OH 1.0E13 0. 4.7E3 !(210,-210)<WARNATZ84>
CH3OH+OH=CH3O+H2O 1.0E13 0. 1.7E3 !(211,-211)<WARNATZ84>
CH3OH+CH3O=CH3OH+CH2OH 3.0E11 0. 4.1E3 !(212,-212)<TSANG87>
!REACTIONS DE HCCO
HCCO+M=CH+CO+M 6.0E15 0. 58.8E3 !(213,-213)<DAGAUT91>
HCCO+H=CH2+CO 1.5E14 0. 0. !(214,-214)<BAULCH94>
HCCO+CH2=C2H+CH2O 1.0E13 0. 2.0E3 !(215,-215)<DAGAUT91>
HCCO+CH2=C2H3+CO 3.0E13 0. 0. !(216,-216)<DAGAUT91>
HCCO+O=>CO+CO+H 9.6E13 0. 0. !(217) <BAULCH94>
HCCO+OH=>HCO+CO+H 1.0E13 0. 0. !(218) <DAGAUT91>
!REACTIONS DE CH2CO
CH2CO+M=CH2(S)+CO+M 4.1E15 0. 59.3E3 !(219,-219)<DAGAUT91>
CH2CO+M=HCCO+H+M 2.7E17 0. 87.0E3 !(220,-220)<FRANK86NIST>
CH2CO+H=CH3+CO 1.8E13 0. 3.4E3 !(221,-221)<BAULCH94>
CH2CO+H=HCCO+H2 5.0E13 0. 8.0E3 !(222,-222)<DAGAUT91>
CH2CO+CH2=C2H4+CO 1.3E14 0. 0. !(223,-223)<CANOSA-MAS84NIST>
CH2CO+O=CH2+CO2 1.8E12 0. 1.3E3 !(224,-224)<DAGAUT91>
CH2CO+O=HCCO+OH 1.0E13 0. 8.0E3 !(225,-225)<DAGAUT91>
CH2CO+OH=HCCO+H2O 7.5E12 0. 2.0E3 !(226,-226)<DAGAUT91>
CH2CO+OH=HCO+CH2O 2.8E13 0. 0. !(227,-227)<VANDOOREN77>
!REACTIONS DE CH3CO
CH3CO+H=CH3+HCO 9.6E13 0. 0. !(228,-228)<TSANG86>
CH3CO+CH2(S)=CH3+CH2CO 1.8E13 0. 0. !(229,-229)<TSANG86>
CH3CO+CH2=CH3+CH2CO 1.8E13 0. 0. !(230,-230)<TSANG86>
CH3CO+CH3=CH3COCH3 4.0E15 -0.8 0. !(231,-231)<TSANG86>
CH3CO+C2H5=C2H5COCH3 3.1E14 -0.5 0. !(232,-232)<TSANG86>
CH3CO+O=CH3+CO2 9.6E12 0. 0. !(233,-233)<TSANG86>
CH3CO+OH=CH2CO+H2O 1.2E13 0. 0. !(234,-234)<TSANG86>
CH3CO+OH=CH3+CO+OH 3.0E13 0. 0. !(235,-235)<TSANG86>
CH3CO+HCO=CH3CHO+CO 9.0E12 0. 0. !(236,-236)<TSANG86>
CH3CO+HCO=CH3COCHO 1.8E13 0. 0. !(237,-237)<TSANG86>
CH3CO+CH2O=CH3CHO+HCO 1.8E11 0. 12.9E3 !(238,-238)<TSANG86>
CH3CO+CH3O=CH3OH+CH2CO 6.0E12 0. 0. !(239,-239)<TSANG86>
CH3CO+CH3O=CH2O+CH3CHO 6.0E12 0. 0. !(240,-240)<TSANG86>
CH3CO+CH2OH=CH3COCH2OH 1.2E13 0. 0. !(241,-241)<TSANG87>
CH3CO+CH3OH=CH3CHO+CH2OH 4.85E3 3. 12.3E3 !(242,-242)<TSANG87>
CH3CO+CH3CO=CH3COCOCH3 1.2E13 0. 12.3E3 !(243,-243)<TSANG86>
CH3CO+CH3CO=CH3CHO+CH2CO 1.2E13 0. 0. !(244,-244)<TSANG86>
!REACTIONS DE CH2CHO
CH2CHO=CH3CO 1.0E13 0. 47.0E3!(245,-245)<COLKET75>
CH2CHO=H+CH2CO 1.6E13 0. 35.0E3!(246,-246)<COLKET75>
!REACTIONS DE CH3CHO
CH3CHO+H=H2+CH3CO 4.0E13 0. 4.2E3!(247,-247)<WARNATZ84>
CH3CHO+CH3=CH3CO+CH4 1.2E11 0. 0. !(248,-248)<COX90mod>
CH3CHO+C2H3=C2H4+CH3CO 8.1E10 0. 3.7E3!(249,-249)<SCHERZER87>
CH3CHO+C2H5=C2H6+CH3CO 1.3E12 0. 8.5E3!(250,-250)<HOHLEIN70>
CH3CHO+O=CH3CO+OH 1.4E13 0. 2.3E3!(251,-251)<COX90>
CH3CHO+OH=CH3CO+H2O 4.2E12 0. 0.5E3!(252,-252)<COX90>
CH3CHO+CH3O=CH3CO+CH3OH 2.4E11 0. 1.8E3!(253,-253)<COX90>
CH3CHO+CH3CO=CH3COCH3+HCO 1.7E11 0. 0. !(254,-254)<GILL81>
CH3CHO+CH2CHO=CH3CHO+CH3CO 2.5E7 0. 0. !(255,-255)<SCHUCHMANN70>
!REACTIONS DE C2H4O
C2H4O=CH4+CO 1.2E13 0. 57.2E3!(256,-256)<LIFSHITZ83>
C2H4O=CH3CHO 7.3E13 0. 57.2E3!(257,-257)<LIFSHITZ83>
C2H4O=CH3+HCO 3.6E13 0. 57.2E3!(258,-258)<LIFSHITZ83>
C2H4O+H=H2+CH2CHO 2.0E13 0. 8.3E3!(259,-259)<LIFSHITZ83>
C2H4O+H=H2O+C2H3 5.0E9 0. 5.0E3!(260,-260)<LIFSHITZ83>
C2H4O+H=C2H4+OH 9.5E10 0. 5.0E3!(261,-261)<LIFSHITZ83>
C2H4O+CH3=CH4+CH2CHO 1.1E12 0. 11.8E3!(262,-262)<BALDWIN84*>
C2H4O+CH3=C2H5+CH2O 1.4E11 0. 7.6E3!(263,-263)<RANZI94>
C2H4O+CH3=C2H4+CH3O 1.5E10 0. 7.6E3!(264,-264)<RANZI94>
C2H4O+C2H=C2H2+CH2CHO 1.2E12 0. 9.8E3!(265,-265)<RANZI94>
C2H4O+C2H3=C2H4+CH2CHO 2.0E12 0. 9.3E3!(266,-266)<RANZI94>
C2H4O+C2H5=C2H6+CH2CHO 6.8E11 0. 11.4E3!(267,-267)<RANZI94>
C2H4O+O=OH+CH2CHO 1.9E12 0. 5.2E3!(268,-268)<BOGAN78NIST>
C2H4O+OH=H2O+CH2CHO 1.8E13 0. 3.6E3!(269,-269)<BALDWIN84*>
C2H4O+HCO=CH2O+CH2CHO 3.7E12 0. 15.8E3!(270,-270)<RANZI94>
C2H4O+CH3O=CH3OH+CH2CHO 1.3E12 0. 5.8E3!(271,-271)<RANZI94>
C2H4O+CH2OH=CH3OH+CH2CHO 8.4E11 0. 13.4E3!(272,-272)<RANZI94>
C2H4O+CH3CO=CH3CHO+CH2CHO 4.0E12 0. 17.5E3!(273,-273)<RANZI94>
C2H4O+CH2CHO=CH3CHO+CH2CHO 6.8E11 0. 15.4E3!(274,-274)<RANZI94>
!* assuming that C2H3O decompose rapidly to CH2CHO
!REACTIONS DE C2H5O!
C2H5O=CH2O+CH3 8.0E13 0. 21.5E3!(276,-276)<BAULCH94>
C2H5O=CH3CHO+H 2.0E14 0. 23.3E3!(277,-277)<HEICKLEN88>
!REACTIONS DE C2H5OH
!C2H5OH+H, O, OH =products no enough data
!REACTIONS DE O2
O2+M=O+O+M 1.8E18 -1. 118.1E3 !(278,-278)<TSANG86>
O2+H=OH+O 9.8E13 0. 14.8E3 !(279,-279)<BAULCH94>
O2+H+M=HO2+M 6.2E17 -0.8 0. !(280,-280)<BAULCH94>
O2+C=CO+O 1.2E14 0. 0. !(281,-281)<RANZI94>
O2+CH=HCO+O 3.3E13 0. 0. !(282,-282)<DAGAUT91>
O2+CH=CO+OH 2.0E13 0. 0. !(283,-283)<DAGAUT91>
O2+CH2(S)=>CO+OH+H 3.1E12 0. 0. !(284) <BAULCH94>
O2+CH2=HCO+OH 4.3E10 0. -0.5E3 !(285,-285)<DAGAUT91>
O2+CH2=CO2+H2 6.9E11 0. 0.5E3 !(286,-286)<DAGAUT91>
O2+CH2=>CO2+H+H 1.6E12 0. 1.0E3 !(287) <DAGAUT91>
O2+CH2=CO+H2O 1.9E10 0. -1.0E3 !(288,-288)<DAGAUT91>
O2+CH2=>CO+OH+H 8.6E10 0. -0.5E3 !(289) <DAGAUT91>
O2+CH2=CH2O+O 1.0E14 0. 4.5E3 !(290,-290)<DAGAUT91>
O2+CH3(+M)=CH3O2(+M) 7.8E8 1.2 0. !(291,-291)<BAULCH94>
LOW /5.6E25 -3.3 0./
TROE /0.36 1. 1.0E8/
O2+CH3=CH3O+O 1.3E14 0. 31.3E3 !(292,-292)<BAULCH94>
O2+CH3=CH2O+OH 3.0E30 -4.69 36.6E3 !(293,-293)<DAGAUT91>
O2+CH4=CH3+HO2 4.0E13 0. 56.7E3 !(294,-294)<BAULCH94>
O2+C2H=CO+HCO 2.4E12 0. 0. !(295,-295)<TSANG86>
O2+C2H=HCCO+O 6.0E11 0. 0. !(296,-296)<TSANG86>
O2+C2H2=C2H+HO2 1.2E13 0. 74.5E3 !(297,-297)<TSANG86>
O2+C2H2=HCCO+OH 2.0E8 1.5 30.1E3 !(298,-298)<DAGAUT91>
O2+C2H3=C2H2+HO2 1.2E11 0. 0. !(299,-299)<TSANG86>
O2+C2H3=CH2O+HCO 3.0E12 0. -0.3E3 !(300,-300)<DAGAUT91>
O2+C2H4=C2H3+HO2 4.2E13 0. 57.4E3 !(301,-301)<TSANG86>
O2+C2H5=C2H5O2 2.2E10 0.77 -0.6E3 !(301,-301)<WAGNER90>
O2+C2H5=C2H4+HO2 8.4E11 0. 3.9E3 !(303,-303)<TSANG86>
O2+C2H5=C2H5O+O 1.2E13 -0.2 27.9E3 !(304,-304)<BOZZELLI90>
O2+C2H5=CH3CHO+OH 6.0E10 0. 6.9E3 !(305,-305)<TSANG86>
O2+C2H6=C2H5+HO2 6.0E13 0. 51.7E3 !(306,-306)<BAULCH94>
O2+OH=HO2+O 2.2E13 0. 52.5E3 !(307,-307)<TSANG86>
O2+CO=CO2+O 2.5E12 0. 47.7E3 !(308,-308)<TSANG86>
O2+HCO=CO+HO2 5.1E13 0. 1.7E3 !(309,-309)<TSANG86>
O2+CH2O=HCO+HO2 2.0E13 0. 38.8E3 !(310,-310)<TSANG86>
O2+CH3O=CH2O+HO2 2.2E10 0. 1.7E3 !(311,-311)<BAULCH94>
O2+CH2OH=CH2O+HO2 1.2E12 0. 0. !(312,-312)<TSANG87>
O2+CH3OH=CH2OH+HO2 2.0E13 0. 44.9E3 !(313,-313)<TSANG87>
O2+HCCO=>CO+CO+OH 1.5E12 0. 2.5E3 !(314) <DAGAUT91>
O2+CH2CO=CH2O+CO2 1.0E8 0. 0. !(315,-315)<DAGAUT91>
O2+CH3CO=CH3CO3 2.4E12 0. 0. !(316,-316)<COX90>
O2+CH2CHO=>CH2O+OH+CO 5.9E9 0. -1.4E3 !(317) <COX90>
O2+CH2CHO=CH2CO+HO2 1.0E10 0. -1.4E3 !(318,-318)<COX90>
O2+CH3CHO=CH3CO+HO2 5.0E13 0. 36.4E3 !(319,-319)<COX90>
O2+C2H4O=HO2+CH2CHO 5.0E13 0. 48.0E3 !(320,-320)<RANZI94>
O2+C2H5O=CH3CHO+HO2 6.0E10 0. 1.7E3 !(321,-321)<BAULCH94>
!REACTIONS DE HO2
HO2+H=H2+O2 4.3E13 0. 1.4E3 !(322,-322)<BAULCH94>
HO2+H=2OH 1.7E14 0. 0.9E3 !(323,-323)<BAULCH94>
HO2+H=H2O+O 3.0E13 0. 1.7E3 !(324,-324)<BAULCH94>
HO2+CH2(S)=CH2O+OH 3.0E13 0. 0. !(325,-325)<TSANG86>
HO2+CH2=CH2O+OH 1.8E13 0. 0. !(326,-326)<TSANG86>
HO2+CH3=CH3O+OH 1.8E13 0. 0. !(327,-327)<BAULCH94>
HO2+CH4=CH3+H2O2 9.0E12 0. 24.6E3 !(328,-328)<BAULCH94>
HO2+C2H=HCCO+OH 1.8E13 0. 0. !(329,-329)<TSANG86>
HO2+C2H2=CH2CO+OH 6.0E9 0. 8.0E3 !(330,-330)<TSANG86>
HO2+C2H3=>OH+CH3+CO 3.0E13 0. 0. !(331) <TSANG86>
HO2+C2H4=CH3CHO+OH 6.0E9 0. 7.9E3 !(332,-332)<TSANG86>
HO2+C2H4=C2H4O+OH 2.2E12 0. 17.2E3 !(333,-333)<BAULCH94>
HO2+C2H5=>CH3+CH2O+OH 2.4E13 0. 0. !(334) <TSANG86>
HO2+C2H5=C2H4+H2O2 3.0E11 0. 0. !(335,-335)<TSANG86>
HO2+C2H6=C2H5+H2O2 1.3E13 0. 20.4E3 !(336,-336)<BAULCH94>
HO2+OH=H2O+O2 2.9E13 0. -0.5E3 !(337,-337)<BAULCH94>
HO2+CO=CO2+OH 1.5E14 0. 23.6E3 !(338,-338)<TSANG86>
!-------------------------------------------------------------------------------------!
!fittings (20/12/94, F. Battin-Leclerc) on CH4-02 system in PSR between 500 and 1300C!
!HO2+CO=CO2+OH 3.0E13 0. 23.6E3! !(338,-338)<TSANG86/5>
!-------------------------------------------------------------------------------------!
HO2+HCO=>OH+H+CO2 3.0E13 0. 0. !(339) <TSANG86>
HO2+CH2O=HCO+H2O2 3.0E12 0. 13.0E3 !(340,-340)<BAULCH94>
HO2+CH3O=CH2O+H2O2 3.0E11 0. 0. !(341,-341)<TSANG86>
HO2+CH2OH=CH2O+H2O2 1.2E13 0. 0. !(342,-342)<TSANG87>
HO2+CH3OH=CH2OH+H2O2 9.6E10 0. 12.6E3 !(343,-343)<TSANG87>
HO2+CH3CO=>CH3+CO2+OH 3.0E13 0. 0. !(344)<TSANG86>
HO2+CH3CHO=CH3CO+H2O2 1.0E12 0. 10.0E3 !(345,-345)<COX90>
HO2+C2H4O=H2O2+CH2CHO 1.6E12 0. 15.0E3 !(346,-346)<RANZI94>
HO2+HO2=H2O2+O2 1.9E12 0. 1.5E3 !(347,-347)<BAULCH92>
DUPLICATE
HO2+HO2=H2O2+O2 1.3E11 0. -1.7E3 !(347,-347)<BAULCH 94>
DUPLICATE
!REACTIONS DE H2O2
H2O2(+M)=OH+OH(+M) 3.0E14 0. 48.3E3 !(348,-348)<BAULCH94>
LOW /1.2E17 0. 45.3E3/
H2O2+H=H2+HO2 1.7E12 0. 3.7E3 !(349,-349)<BAULCH94>
H2O2+H=H2O+OH 1.0E13 0. 3.6E3 !(350,-350)<BAULCH94>
H2O2+CH2(S)=CH3O+OH 3.0E13 0. 0. !(351,-351)<TSANG86>
H2O2+C2H3=C2H4+HO2 1.2E10 0. -0.6E3 !(352,-352)<TSANG86>
H2O2+O=OH+HO2 6.6E11 0. 4.0E3 !(353,-353)<BAULCH94>
H2O2+OH=H2O+HO2 7.8E12 0. 1.3E3 !(354,-354)<BAULCH94>
!REACTIONS DE CO2
CO2+CH2=CH2O+CO 2.3E10 0. 0. !(355,-355)<TSANG86>
!REACTIONS DE CH3O2
CH3O2=CH2O+OH 1.5E13 0. 47.0E3 !(356,-356)<RANZI94>
CH3O2+H=CH3O+OH 9.6E13 0. 0. !(357,-357)<TSANG86>
CH3O2+H2=CH3O2H+H 3.0E13 0. 26.0E3 !(358,-358)<TSANG86>
CH3O2+CH2(S)=CH2O+CH3O 1.8E13 0. 0. !(359,-359)<TSANG86>
CH3O2+CH2=CH2O+CH3O 1.8E13 0. 0. !(360,-360)<TSANG86>
CH3O2+CH3=CH3O+CH3O 5.0E12 0. -1.4E3 !(361,-361)<COX90>
CH3O2+CH4=CH3O2H+CH3 1.8E11 0. 18.5E3 !(362,-362)<TSANG86>
CH3O2+C2H=CH3O+HCCO 2.4E13 0. 0. !(363,-363)<TSANG86>
CH3O2+C2H2=CH3O2H+C2H 5.6E11 0. 24.5E3 !(364,-364)<RANZI94>
CH3O2+C2H3=CH3O+CH2CHO 2.4E13 0. 0. !(365,-365)<TSANG86>
!* assuming that C2H3O decompose rapidly to CH2CHO
CH3O2+C2H4=CH3O+C2H4O 1.1E15 0. 20.0E3 !(366,-366)<NIKISHA81/MOSHKINA80>
CH3O2+C2H4=CH3O2H+C2H3 3.9E12 0. 24.5E3 !(367,-367)<RANZI94>
CH3O2+C2H5=CH3O+C2H5O 2.4E13 0. 0. !(368,-368)<TSANG86>
CH3O2+C2H6=CH3O2H+C2H5 2.9E11 0. 14.9E3 !(369,-369)<TSANG86>
CH3O2+O=CH3O+O2 3.6E13 0. 0. !(370,-370)<TSANG86>
CH3O2+OH=CH3OH+O2 6.0E13 0. 0. !(371,-371)<TSANG86>
CH3O2+OH=CH3O+HO2 3.0E12 0. 0. !(372,-372)<RANZI94>
CH3O2+CO=CH3O+CO2 1.0E14 0. 24.0E3 !(373,-373)<RANZI94>
CH3O2+HCO=>CH3O+H+CO2 3.0E13 0. 0. !(374)<TSANG86>
CH3O2+CH2O=CH3O2H+HCO 1.0E12 0. 12.1E3 !(375,-375)<COX90>
CH3O2+CH3O=CH2O+CH3O2H 3.0E11 0. 0. !(376,-376)<TSANG86>
CH3O2+CH2OH=>CH3O+OH+CH2O 1.2E13 0. 0. !(377)<TSANG87>
CH3O2+CH3OH=CH3O2H+CH2OH 1.8E12 0. 13.7E3 !(378,-378)<TSANG87>
CH3O2+CH3OH=CH3O2H+CH3O 2.8E11 0. 18.8E3 !(379,-379)<RANZI94>
CH3O2+CH2CO=CH3O2H+HCCO 1.7E12 0. 27.0E3 !(380,-380)<RANZI94>
CH3O2+CH3CO=CH3+CO2+CH3O 2.4E13 0. 0. !(381,-381)<TSANG86>
CH3O2+CH3CHO=CH3O2H+CH3CO 1.0E12 0. 12.1E3 !(382,-382)<COX90>
CH3O2+CH3CHO=CH3O2H+CH2CHO 1.7E12 0. 19.2E3 !(383,-383)<RANZI94>
CH3O2+C2H4O=CH3O2H+CH2CHO 2.2E12 0. 16.0E3 !(384,-384)<RANZI94>
CH3O2+HO2=CH3O2H+O2 2.5E11 0. -1.6E3 !(385,-385)<BAULCH94>
CH3O2+HO2=>O2+CH2O+H2O 5.0E10 0. 0. !(386)<RANZI94>
CH3O2+H2O2=CH3O2H+HO2 2.4E12 0. 9.9E3 !(387,-387)<TSANG86>
CH3O2+CH3O2=CH3OH+CH2O+O2 2.5E10 0. -0.8E3 !(388,-388)<BAULCH94>
CH3O2+CH3O2=CH3O+CH3O+O2 2.5E10 0. -0.8E3 !(389,-389)<BAULCH94>
!REACTIONS DE CH3O2H
CH3O2H=CH3O+OH 6.0E14 0. 42.3E3 !(390,-390)<BAULCH94>
CH3O2H+O=CH3O2+OH 2.0E13 0. 4.8E3 !(391,-391)<BAULCH94average>
CH3O2H+OH=H2O+CH3O2 1.8E12 0. -0.37E3 !(392,-392)<BAULCH94average>
CH3O2H+CH3O=>CH3OH+OH+CH2O 1.5E11 0. 6.5E3 !(393)<RANZI94>
!REACTIONS DE C2H5O2
C2H5O2=C2H4O2H 4.2E12 0. 36.9E3 !(394,-394)<PILLING94>
C2H5O2+H2=C2H5O2H+H 7.9E12 0. 21.0E3 !(395,-395)<RANZI94>
C2H5O2+CH3=C2H5O+CH3O 2.0E12 0. -1.2E3 !(396,-396)<RANZI94>
C2H5O2+CH4=C2H5O2H+CH3 3.9E12 0. 24.0E3 !(397,-397)<RANZI94>
C2H5O2+C2H2=C2H5O2H+C2H 5.6E11 0. 24.4E3 !(398,-398)<RANZI94>
C2H5O2+C2H4=C2H5O2H+C2H3 3.9E12 0. 24.4E3 !(399,-399)<RANZI94>
C2H5O2+C2H4=C2H5O+C2H4O 2.3E16 0. 21.9E3 !(400,-400)<MOSHKINA80>
C2H5O2+C2H6=C2H5O2H+C2H5 5.1E12 0. 19.5E3 !(401,-401)<RANZI94>
C2H5O2+H2O=C2H5O2H+OH 5.6E12 0. 30.6E3 !(402,-402)<RANZI94>
C2H5O2+CO=CO2+C2H5O 1.0E14 0. 24.0E3 !(403,-403)<RANZI94>
C2H5O2+CH2O=C2H5O2H+HCO 4.5E12 0. 14.4E3 !(404,-404)<RANZI94>
C2H5O2+CH3OH=C2H5O2H+CH3O 2.8E11 0. 18.4E3 !(405,-405)<RANZI94>
C2H5O2+CH3OH=C2H5O2H+CH2OH 2.8E12 0. 19.5E3 !(406,-406)<RANZI94>
C2H5O2+CH2CO=C2H5O2H+HCCO 1.7E12 0. 24.4E3 !(407,-407)<RANZI94>
C2H5O2+CH3CHO=C2H5O2H+CH3CO 3.9E12 0. 14.4E3 !(408,-408)<RANZI94>
C2H5O2+CH3CHO=C2H5O2H+CH2CHO 1.7E12 0. 19.5E3 !(409,-409)<RANZI94>
C2H5O2+C2H4O=C2H5O2H+CH2CHO 2.2E12 0. 16.3E3 !(410,-410)<RANZI94>
C2H5O2+HO2=O2+C2H5O2H 3.9E11 0. -1.3E3 !(411,-411)<BAULCH89>
!Rate constant measured between 240 and 380K
C2H5O2+H2O2=C2H5O2H+HO2 4.5E11 0. 10.8E3 !(412,-412)<RANZI94>
C2H5O2+CH3O2=>C2H5O+CH3O+O2 2.0E11 0. 0. !(413)<RANZI94>
C2H5O2+CH3O2H=C2H5O2H+CH3O2 1.1E12 0. 16.3E3 !(414,-414)<RANZI94>
C2H5O2+C2H5O2=2C2H5O+O2 4.1E10 0. 0.2E3 !(415,-415)<LIGHTFOOT92>
C2H5O2+C2H5O2=C2H5OH+CH3CHO+O2 1.8E10 0. 0.2E3 !(416,-416)<LIGHTFOOT92>
!REACTIONS DE C2H4O2H
C2H4O2H=C2H4O+OH 1.5E11 0. 20.0E3 !(417,-417)<RANZI94>
C2H4O2H=CH2OH+CH2O 2.5E13 0. 27.5E3 !(418,-418)<RANZI94>
C2H4O2H=C2H4+HO2 2.0E13 0. 23.5E3 !(419,-419)<RANZI94>
!REACTIONS DE C2H5O2H
C2H5O2H=C2H5O+OH 4.0E15 0. 42.9E3 !(420,-420)<BAULCH94>
C2H5O2H+H=>CH3CHO+OH+H2 3.2E13 0. 7.7E3 !(421)<RANZI94>
C2H5O2H+CH3=>CH3CHO+OH+CH4 5.7E11 0. 8.7E3 !(422)<RANZI94>
C2H5O2H+C2H=>CH3CHO+OH+C2H2 6.0E11 0. 9.2E3 !(423)<RANZI94>
C2H5O2H+C2H3=>CH3CHO+OH+C2H4 1.0E12 0. 8.7E3 !(424)<RANZI94>
C2H5O2H+C2H5=>CH3CHO+OH+C2H6 3.4E11 0. 11.4E3 !(425)<RANZI94>
C2H5O2H+OH=>CH3CHO+OH+H2O 5.9E12 0. 0.9E3 !(426)<RANZI94>
C2H5O2H+HCO=>CH3CHO+OH+CH2O 1.8E12 0. 16.7E3 !(427)<RANZI94>
C2H5O2H+CH3O=>CH3CHO+OH+CH3OH 6.3E11 0. 5.5E3 !(428)<RANZI94>
C2H5O2H+CH2OH=>CH3CHO+OH+CH3OH 4.2E11 0. 13.6E3 !(429)<RANZI94>
C2H5O2H+CH3CO=>2CH3CHO+OH 2.0E12 0. 18.5E3 !(430)<RANZI94>
C2H5O2H+CH2CHO=>2CH3CHO+OH 3.4E11 0. 15.7E3 !(431)<RANZI94>
C2H5O2H+HO2=>CH3CHO+OH+H2O2 8.0E11 0. 16.2E3 !(432)<RANZI94>
C2H5O2H+CH3O2=>CH3CHO+OH+CH3O2H 1.1E12 0. 16.7E3 !(433)<RANZI94>
C2H5O2H+C2H5O2=>CH3CHO+OH+C2H5O2H 1.1E12 0. 16.7E3 !(434)<RANZI94>
!REACTIONS DE CH3CO3
CH3CO3+C2H4O=CH3CO3H+CH2CHO 1.0E12 0. 9.3E3 !(435,-436)<RANZI94>
CH3CO3+HO2=CH3CO3H+O2 5.5E10 0. -2.6E3 !(436,-436)<COX90>
CH3CO3+C2H5O2H=CH3CO3H+C2H5O2 5.0E11 0. 9.2E3 !(437,-437)<RANZI94>
CH3CO3+C2H5O2H=>CH3CHO+OH+CH3CO3H 5.0E11 0. 9.2E3 !(438)<RANZI94>
CH3CO3+CH3CO3=>2CH3+O2+2CO2 1.7E12 0. -1.0E3 !(439)<COX90>
!REACTIONS DE CH3CO3H
CH3CO3H=>CH3+CO2+OH 1.0E16 0. 40.0E3 !(440)<COX90>
END
!REFERENCES!
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!Wasserstoffatomen mit Aethanol und ter.Butanol, Ber. Bunsenges. Phys. Chem.,
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!reaction of C2H5 with O2, J. Phys. Chem., 94, 3313.
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!Chemistry by Pulsed Laser-Induced Decomposition of Ketene. Part 1.-Ketene in
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!"High-Temperature Pyrolysis of Acetaldehyde", Int. J. Chem. Kinet., 7, 223.
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!Dean, A. J.; Davidson, D. F.; Hanson, R. K. (1991), "A shock tube study of
!reactions of C atoms with H2 and O2 using excimer photolysis of C3O2 and C
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!Frank, P. (1986), "A high temperature shock tube study on fast reactions of
!methylene and methyl radicals", Proc. Int. Symp. Rarefield Gas Dyn., 2, 422.
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!of triplet methylene and ketene with radicals", J. Phys. Chem., 90, 2226.
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!by Ground-State Atomic Oxygen", Chem. Phys. Lett., 78, 71.
!Herron, J.T.(1988), "Evaluated chemical kinetic data for the reactions of
!atomic oxygen O(3P) with saturated organic compounds in the gas phase,
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!methanol in shock Waves", J. Phys. Chem., 93, 7134.
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!diethyl ether. Free-radical rate parameters", J. Am. Chem. Soc., 92, 6118.
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!at high temperatures.1. Pyrolysis of ethylene oxide behind reflected shocks,
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!Jenkin, M.E.; Moortgat, G.K.; Zabel, F. (1992),
!"Organic peroxy radicals: kinetics, spectroscopy and tropospheric chemistry"! Atmos. Environ.,
! A, 26, 1805-1961.
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!photochemistry kinetics study of the reaction of O(3P) atoms with ethylene
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!13th International Symposium on Gas kinetics - University College Dublin.
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!"Low temperature combustion : automatic generation of primary oxidation reactions",
!Comb. Flam. (submitted)
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!Wasserstoffabspaltungsreaktionen durch alkenylradikale; Vinylradikale",
!Z. Chem., 27, 300.
!Schumann, H.-P.; Laidler, K. J., "The ethenoxy radical in the pyrolysis of
!acetaldehyde", Can. J. Chem., 48, 2315.
!Tsang, W. (1976),"Thermal stability of alcohols",Int. J. Chem. Kinet.,8,173.
!Tsang, W. and Hampson, R. F.(1986), "Chemical Kinetic Data Base for
!Combustion Chemistry. Part I. Methane and Related Compounds", J. Phys. Chem.
!Ref. Data, 15(3), 1087.
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!2. Methanol", J. Phys. Chem. Ref. Data, 16(3), 471.
!Tsuboi, T. and Hashimoto, K. (1981), "Shock Tube Study on Homogeneous
!Oxidation of Methanol", Combust. Flame, 42, 61.
!Vandooren, J.; Van Tiggelen, P. J. (1977), "Reaction mechanisms of
!combustion in low pressure acetylene-oxygen flames", Symp. Int. Combust.
!Proc., 16, 1133.
!Wagner, A. F., Slage, I. R.; Sarzynski, D.; Gutman, D. (1990), "Experimental
!and theoretical studies of the C2H5+O2 reaction kinetics", J. Phys. Chem.,
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!Chemistry (ed. W. C. Gardiner, Jr.) Springer-Verlag, NY, 197.

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ELEMENTS
H O N SI
END
SPECIES
H2 O2 OH H H2O O H2O2 HO2
SIH4 SIH3 SIH2 SIH SIO SIO2 HSIO SIH2O SIH3O SIH3O2 SIH4O2
N2
END
THERMO
SIH3O SI 1.H 3.O 1. N 0. G 300.000 5000.000 1
0.37707966E+01 0.78711497E-02-0.26563839E-05 0.39444314E-09-0.21126164E-13 2
-0.13296131E+04 0.59295750E+01 0.21062040E+01 0.72165951E-02 0.53384720E-05 3
-0.73776363E-08 0.20756105E-11-0.47884505E+03 0.16152177E+02 4
SIH3O2 SI 1.H 3.O 2. N 0. G 300.000 5000.000 1
0.66812963E+01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
-0.42105544E+04-0.99423847E+01 0.20986490E+01 0.15786357E-01 0.75683261E-05 3
-0.11274587E-07 0.56665133E-11-0.26671854E+04 0.15007068E+02 4
SIH4O2 SI 1.H 4.O 2. N 0. G 300.000 5000.000 1
0.66812963E+01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
-0.42105544E+04-0.99423847E+01 0.20986490E+01 0.15786357E-01 0.75683261E-05 3
-0.11274587E-07 0.56665133E-11-0.26671854E+04 0.15007068E+02 4
SIH2O SI 1.H 2.O 1. N 0. G 300.000 5000.000 1
0.32939910E+01 0.59522360E-02-0.21083880E-05 0.33459980E-09-0.19750180E-13 2
-0.13283760E+04 0.70293210E+01 0.32032740E+01 0.44987760E-02-0.45214720E-05 3
0.10444300E-07-0.61720710E-11-0.12958860E+05 0.84842740E+01 4
HSIO SI 1.H 1.O 1. N 0. G 300.000 5000.000 1
0.34714290E+01 0.31057530E-02-0.11005030E-05 0.17477250E-09-0.10263730E-13 2
0.30103527E+04 0.79153820E+01 0.30781400E+01 0.10178940E-01-0.31701710E-04 3
0.43635320E-08-0.19549500E-10 0.31101614E+04 0.92575020E+01 4
SIO SI 1.H 0.O 1. N 0. G 300.000 5000.000 1
3.74788350E+00 8.19919430E-04-3.25253960E-07 5.73249620E-11-3.51089440E-15 2
-1.33174300E+04 3.66100339E+00 3.25282760E+00 4.18231260E-04 3.78062020E-06 3
-5.10244830E-09 1.94713170E-12-1.30903400E+04 6.66174329E+00 4
SIO2 SI 1.H 0.O 2. N 0. S 300.000 5000.000 1
0.63467463E+01 0.21952215E-02 0.0 0.0 0.0 2
-0.11154241E+06-0.32060643E+02 0.63467463E+01 0.21952215E-02 0.0 3
0.0 0.0 -0.11154241E+06-0.32060643E+02 4
END
REACTIONS
H2 + O2 = OH + OH 6.700E+13 0.00 47780.
H2 + OH = H2O + H 1.170E+09 1.30 3626.
O + OH = O2 + H 5.000E+14 -0.50 0.
!H + O2 = O + OH 1.940E+14 0.00 16440.
O + H2 = OH + H 5.060E+04 2.67 6290.
H + O2 + M = HO2 + M 2.800E+19 -1.25 0.
H2/2.5/ H2O/12.5/
!OH + HO2 = H2O + O2 7.500E+12 0.00 0.
OH + HO2 = H2O + O2 7.890E+13 0.00 -497.
!H + HO2 = OH + OH 1.400E+14 0.00 1073.
H + HO2 = OH + OH 1.690E+14 0.00 874.
O + HO2 = O2 + OH 2.400E+13 0.00 1073. ! 1.4
OH + OH = O + H2O 6.000E+08 1.30 0.
H + H + M = H2 + M 1.000E+18 -1.00 0.
H2/0.0/ H2O/0./
H + H + H2 = H2 + H2 9.200E+16 -0.60 0.
H + H + H2O = H2 + H2O 6.000E+19 -1.25 0.
H + OH + M = H2O + M 1.600E+22 -2.00 0.
H + O + M = OH + M 6.200E+16 -0.60 0.
O + O + M = O2 + M 1.890E+13 0.00 -1788.
!H + HO2 = H2 + O2 1.250E+13 0.00 0.
H + HO2 = H2 + O2 6.280E+13 0.00 1411.
!HO2 + HO2 = H2O2 + O2 2.000E+12 0.00 0.
HO2 + HO2 = H2O2 + O2 4.200E+14 0.00 12000.
DUPLICATE
HO2 + HO2 = H2O2 + O2 1.300E+11 0.00 -1640.
DUPLICATE
H2O2 + M = OH + OH + M 6.300E+17 0.00 45500.
H2O2 + H = HO2 + H2 1.600E+12 0.00 3800.
H2O2 + OH = H2O + HO2 1.300E+11 0.00 -1630.
DUPLICATE
H2O2 + OH = H2O + HO2 5.800E+14 0.00 9560.
DUPLICATE
H + HO2 = O + H2O 3.100E+10 0.00 3590.
O + OH + M = HO2 + M 1.000E+16 0.00 0.
H2O2 + H = H2O + OH 1.000E+13 0.00 3590.
H2O2 + O = H2O + O2 8.400E+11 0.00 4260.
H2O2 + O = OH + HO2 2.000E+13 0.00 5900.
H2 + HO2 = H2O + OH 2.100E+13 0.00 18800.
SIH4 = SIH2 + H2 1.000E+13 0.00 52700.
SIH2 + O2 = HSIO + OH 3.200E+14 0.00 8000.
SIH2 + H2O = SIH2O + H2 3.000E+12 0.00 11400.
SIH4 + O2 = SIH3 + HO2 4.000E+13 0.00 42800.
SIH4 + H = SIH3 + H2 5.000E+12 0.00 2500.
SIH4 + O = SIH3 + OH 4.200E+12 0.00 1600.
SIH4 + OH = SIH3 + H2O 9.400E+12 0.00 100.
SIH4 + HO2 = SIH3 + H2O2 2.000E+12 0.00 10000.
SIH4 + SIH3O2 = SIH3 + SIH4O2 1.100E+13 0.00 18500.
SIH3 + O2 = SIH3O2 2.000E+15 0.00 1200.
SIH3O2 = SIH3O + O 2.000E+13 0.00 34000. ! 5.e12
SIH3O2 = SIH2O + OH 3.000E+12 0.00 4000.
SIH3O2+ HO2 = SIH4O2+ O2 3.000E+11 0.00 0.
SIH4O2+ H = SIH3O2+ H2 4.800E+13 0.00 7950.
SIH4O2 = SIH3O + OH 6.500E+14 0.0 48700.
SIH3 + O2 = SIH3O + O 1.000E+13 0.00 0. ! 2
SIH3O + O2 = SIH2O + HO2 2.000E+13 0.00 0.
SIH3 + H = SIH2 + H2 2.000E+13 0.00 0.
SIH3 + O = SIH2O + H 2.000E+13 0.00 0.
SIH3 + OH = SIH2O + H2 6.000E+12 0.00 0.
SIH3 + HO2 = SIH2 + H2O2 2.000E+13 0.00 0.
SIH3 + SIH3 = SIH2 + SIH4 2.000E+12 0.00 0.
SIH2O + O2 = HSIO + HO2 4.000E+14 0.00 35000.
SIH2O + M = HSIO + H + M 2.000E+15 0.00 84500.
SIH2O + H = HSIO + H2 5.300E+14 0.00 10500.
SIH2O + O = HSIO + OH 1.800E+13 0.00 3080.
SIH2O + OH = HSIO + H2O 7.500E+12 0.00 170.
SIH2O + HO2 = HSIO + H2O2 1.000E+13 0.00 12000.
HSIO + M = H + SIO + M 5.000E+14 0.00 29000.
HSIO + O2 = SIO + HO2 3.000E+13 0.00 0.
HSIO + H = SIO + H2 2.000E+14 0.00 0.
HSIO + O = SIO + OH 1.000E+14 0.00 0.
HSIO + OH = SIO + H2O 1.000E+14 0.00 0.
HSIO + HO2 = SIO + H2O2 1.000E+14 0.00 0.
SIO + OH = SIO2 + H 4.000E+12 0.00 5700.
SIO + HO2 = SIO2 + OH 1.000E+12 0.00 0.
SIO + O + M = SIO2 + M 2.500E+15 0.00 4370.
SIO + O2 = SIO2 + O 4.000E+13 0.00 6500.
END

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ELEMENTS
H O SI
END
SPECIES
H2 O2 OH H H2O O H2O2 HO2
SIH4 SIH3 SIH2 SIH SIO SIO2 HSIO SIH2O SIH3O SIH3O2+ SIH4O2
N2
END
THERMO
SIH3O SI 1.H 3.O 1. G 300.000 5000.000 1
0.37707966E+01 0.78711497E-02-0.26563839E-05 0.39444314E-09-0.21126164E-13 2
-0.13296131E+04 0.59295750E+01 0.21062040E+01 0.72165951E-02 0.53384720E-05 3
-0.73776363E-08 0.20756105E-11-0.47884505E+03 0.16152177E+02 4
SIH3O2+ SI 1.H 3.O 2. N 0. G 300.000 5000.000 1
0.66812963E+01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
-0.42105544E+04-0.99423847E+01 0.20986490E+01 0.15786357E-01 0.75683261E-05 3
-0.11274587E-07 0.56665133E-11-0.26671854E+04 0.15007068E+02 4
SIH4O2 SI 1.H 4.O 2. N 0. G 300.000 5000.000 1
0.66812963E+01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
-0.42105544E+04-0.99423847E+01 0.20986490E+01 0.15786357E-01 0.75683261E-05 3
-0.11274587E-07 0.56665133E-11-0.26671854E+04 0.15007068E+02 4
SIH2O SI 1.H 2.O 1. N 0. G 300.000 5000.000 1
0.32939910E+01 0.59522360E-02-0.21083880E-05 0.33459980E-09-0.19750180E-13 2
-0.13283760E+04 0.70293210E+01 0.32032740E+01 0.44987760E-02-0.45214720E-05 3
0.10444300E-07-0.61720710E-11-0.12958860E+05 0.84842740E+01 4
HSIO SI 1.H 1.O 1. N 0. G 300.000 5000.000 1
0.34714290E+01 0.31057530E-02-0.11005030E-05 0.17477250E-09-0.10263730E-13 2
0.30103527E+04 0.79153820E+01 0.30781400E+01 0.10178940E-01-0.31701710E-04 3
0.43635320E-08-0.19549500E-10 0.31101614E+04 0.92575020E+01 4
SIO SI 1.H 0.O 1. N 0. G 300.000 5000.000 1
3.74788350E+00 8.19919430E-04-3.25253960E-07 5.73249620E-11-3.51089440E-15 2
-1.33174300E+04 3.66100339E+00 3.25282760E+00 4.18231260E-04 3.78062020E-06 3
-5.10244830E-09 1.94713170E-12-1.30903400E+04 6.66174329E+00 4
SIO2 SI 1.H 0.O 2. N 0. S 300.000 5000.000 1
0.63467463E+01 0.21952215E-02 0.0 0.0 0.0 2
-0.11154241E+06-0.32060643E+02 0.63467463E+01 0.21952215E-02 0.0 3
0.0 0.0 -0.11154241E+06-0.32060643E+02 4
END
REACTIONS
H2 + O2 = OH+OH 1.170E+09 0 0
H2 + OH = H2O + H 1.170E+09 0 0
O + OH = O2 + H 5.000E+14 -0.50 0.
!H + O2 = O + OH 1.940E+14 0.00 16440.
O + H2 = OH + H 5.060E+04 2.67 6290.
H + O2 + M = HO2 + M 2.800E+19 -1.25 0.
H2/2.5/ H2O/12.5/
!OH + HO2 = H2O + O2 7.500E+12 0.00 0.
OH + HO2 = H2O + O2 7.890E+13 0.00 -497.
!H + HO2 = OH + OH 1.400E+14 0.00 1073.
H + HO2 = OH + OH 1.690E+14 0.00 874.
O + HO2 = O2 + OH 2.400E+13 0.00 1073. ! 1.4
OH + OH = O + H2O 6.000E+08 1.30 0.
H + H + M = H2 + M 1.000E+18 -1.00 0.
H2/0.0/ H2O/0./
H + H + H2 = H2 + H2 9.200E+16 -0.60 0.
H + H + H2O = H2 + H2O 6.000E+19 -1.25 0.
H + OH + M = H2O + M 1.600E+22 -2.00 0.
H + O + M = OH + M 6.200E+16 -0.60 0.
O + O + M = O2 + M 1.890E+13 0.00 -1788.
!H + HO2 = H2 + O2 1.250E+13 0.00 0.
H + HO2 = H2 + O2 6.280E+13 0.00 1411.
!HO2 + HO2 = H2O2 + O2 2.000E+12 0.00 0.
HO2 + HO2 = H2O2 + O2 4.200E+14 0.00 12000.
DUPLICATE
HO2 + HO2 = H2O2 + O2 1.300E+11 0.00 -1640.
DUPLICATE
H2O2 + M = OH + OH + M 6.300E+17 0.00 45500.
H2O2 + H = HO2 + H2 1.600E+12 0.00 3800.
H2O2 + OH = H2O + HO2 1.300E+11 0.00 -1630.
DUPLICATE
H2O2 + OH = H2O + HO2 5.800E+14 0.00 9560.
DUPLICATE
H + HO2 = O + H2O 3.100E+10 0.00 3590.
O + OH + M = HO2 + M 1.000E+16 0.00 0.
H2O2 + H = H2O + OH 1.000E+13 0.00 3590.
H2O2 + O = H2O + O2 8.400E+11 0.00 4260.
H2O2 + O = OH + HO2 2.000E+13 0.00 5900.
H2 + HO2 = H2O + OH 2.100E+13 0.00 18800.
SIH4 = SIH2 + H2 1.000E+13 0.00 52700.
SIH2 + O2 = HSIO + OH 3.200E+14 0.00 8000.
SIH2 + H2O = SIH2O + H2 3.000E+12 0.00 11400.
SIH4 + O2 = SIH3 + HO2 4.000E+13 0.00 42800.
SIH4 + H = SIH3 + H2 5.000E+12 0.00 2500.
SIH4 + O = SIH3 + OH 4.200E+12 0.00 1600.
SIH4 + OH = SIH3 + H2O 9.400E+12 0.00 100.
SIH4 + HO2 = SIH3 + H2O2 2.000E+12 0.00 10000.
SIH4 + SIH3O2+ = SIH3 + SIH4O2 1.100E+13 0.00 18500.
SIH3 + O2 = SIH3O2+ 2.000E+15 0.00 1200.
SIH3O2+ = SIH3O + O 2.000E+13 0.00 34000. ! 5.e12
SIH3O2+ = SIH2O + OH 3.000E+12 0.00 4000.
SIH3O2+ + HO2 = SIH4O2 + O2 3.000E+11 0.00 0.
SIH4O2 + H = SIH3O2+ + H2 4.800E+13 0.00 7950.
SIH4O2 = SIH3O + OH 6.500E+14 0.0 48700.
SIH3 + O2 = SIH3O + O 1.000E+13 0.00 0. ! 2
SIH3O + O2 = SIH2O + HO2 2.000E+13 0.00 0.
SIH3 + H = SIH2 + H2 2.000E+13 0.00 0.
SIH3 + O = SIH2O + H 2.000E+13 0.00 0.
SIH3 + OH = SIH2O + H2 6.000E+12 0.00 0.
SIH3 + HO2 = SIH2 + H2O2 2.000E+13 0.00 0.
SIH3 + SIH3 = SIH2 + SIH4 2.000E+12 0.00 0.
SIH2O + O2 = HSIO + HO2 4.000E+14 0.00 35000.
SIH2O + M = HSIO + H + M 2.000E+15 0.00 84500.
SIH2O + H = HSIO + H2 5.300E+14 0.00 10500.
SIH2O + O = HSIO + OH 1.800E+13 0.00 3080.
SIH2O + OH = HSIO + H2O 7.500E+12 0.00 170.
SIH2O + HO2 = HSIO + H2O2 1.000E+13 0.00 12000.
HSIO + M = H + SIO + M 5.000E+14 0.00 29000.
HSIO + O2 = SIO + HO2 3.000E+13 0.0 0.0
HSIO + H = SIO + H2 2.000E+14 0.00 0.
REV /1 2 3/
LT /1 2/
RLT /3 4/
HSIO + O = SIO + OH 1.000E+14 0.00 0.
FIT1 /1 2 3 4/
HSIO + OH = SIO + H2O 1.000E+14 0.00 0.
HSIO + HO2 = SIO + H2O2 1.000E+14 0.00 0.
SIO + OH (+H) = SIO2 + H (+H) 4.000E+12 0.00 5700.
LOW /1 2 3/
TROE /1 2 3 4/
SIO + HO2 = SIO2 + OH 1.000E+12 0.00 0.
LT /1.0 3.0/
SIO + O + M = SIO2 + M 0.0E+13 0.0 0.0
UNITS /KCAL/
SIO + O2 = SIO2 + O 4.000E+13 0 1
RORD /SIO2 3/
FORD /O2 4/
REV /1 2 3/
END

2979
applications/test/readCHEMKINIII/CHEMKINdata/therm.dat
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436
applications/test/readCHEMKINIII/CHEMKINdata/thermo_soot.dat
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@ -1,436 +0,0 @@
THERMO ALL
298.000 1000.000 5000.000
C70 T 6/93C 70 0 0 0G 200.000 6000.000 1000.00 1
0.10677602E+03 0.10200334E+00-0.39562455E-04 0.67122022E-08-0.41568097E-12 2
0.29769320E+06-0.59941734E+03-0.31366983E+02 0.33484410E+00 0.98587783E-04 3
-0.44663983E-06 0.22008836E-09 0.34260294E+06 0.14891614E+03 0.34822593E+06 4
C60 T 6/93C 60 0 0 0G 200.000 6000.000 1000.00 1
0.99843418E+02 0.78857558E-01-0.30608799E-04 0.51957690E-08-0.32188408E-12 2
0.26670488E+06-0.54587488E+03-0.33579084E+02 0.42844440E+00-0.31712321E-03 3
0.47546257E-07 0.27677699E-10 0.30465122E+06 0.14832875E+03 0.31098790E+06 4
C(S) P 4/83C 1 0 0 0S 200.000 5000.000 1000.00 1
0.14556924E+01 0.17170638E-02-0.69758410E-06 0.13528316E-09-0.96764905E-14 2
-0.69512804E+03-0.85256842E+01-0.31087207E+00 0.44035369E-02 0.19039412E-05 3
-0.63854697E-08 0.29896425E-11-0.10865079E+03 0.11138295E+01 4
O L 1/90O 1 00 00 00G 200.000 3500.000 1000.000 1
2.56942078E+00-8.59741137E-05 4.19484589E-08-1.00177799E-11 1.22833691E-15 2
2.92175791E+04 4.78433864E+00 3.16826710E+00-3.27931884E-03 6.64306396E-06 3
-6.12806624E-09 2.11265971E-12 2.91222592E+04 2.05193346E+00 6.72540300E+03 4
O2 TPIS89O 2 00 00 00G 200.000 3500.000 1000.000 1
3.28253784E+00 1.48308754E-03-7.57966669E-07 2.09470555E-10-2.16717794E-14 2
-1.08845772E+03 5.45323129E+00 3.78245636E+00-2.99673416E-03 9.84730201E-06 3
-9.68129509E-09 3.24372837E-12-1.06394356E+03 3.65767573E+00 8.68010400E+03 4
H L 7/88H 1 00 00 00G 200.000 3500.000 1000.00 1
2.50000001E+00-2.30842973E-11 1.61561948E-14-4.73515235E-18 4.98197357E-22 2
2.54736599E+04-4.46682914E-01 2.50000000E+00 7.05332819E-13-1.99591964E-15 3
2.30081632E-18-9.27732332E-22 2.54736599E+04-4.46682853E-01 6.19742800E+03 4
H2 TPIS78H 2 00 00 00G 200.000 3500.000 1000.00 1
3.33727920E+00-4.94024731E-05 4.99456778E-07-1.79566394E-10 2.00255376E-14 2
-9.50158922E+02-3.20502331E+00 2.34433112E+00 7.98052075E-03-1.94781510E-05 3
2.01572094E-08-7.37611761E-12-9.17935173E+02 6.83010238E-01 8.46810200E+03 4
OH RUS 78O 1H 1 00 00G 200.000 3500.000 1000.000 1
3.09288767E+00 5.48429716E-04 1.26505228E-07-8.79461556E-11 1.17412376E-14 2
3.85865700E+03 4.47669610E+00 3.99201543E+00-2.40131752E-03 4.61793841E-06 3
-3.88113333E-09 1.36411470E-12 3.61508056E+03-1.03925458E-01 8.81310600E+03 4
H2O L 8/89H 2O 1 00 00G 200.000 3500.000 1000.000 1
3.03399249E+00 2.17691804E-03-1.64072518E-07-9.70419870E-11 1.68200992E-14 2
-3.00042971E+04 4.96677010E+00 4.19864056E+00-2.03643410E-03 6.52040211E-06 3
-5.48797062E-09 1.77197817E-12-3.02937267E+04-8.49032208E-01 9.90409200E+03 4
HO2 L 5/89H 1O 2 00 00G 200.000 3500.000 1000.000 1
4.01721090E+00 2.23982013E-03-6.33658150E-07 1.14246370E-10-1.07908535E-14 2
1.11856713E+02 3.78510215E+00 4.30179801E+00-4.74912051E-03 2.11582891E-05 3
-2.42763894E-08 9.29225124E-12 2.94808040E+02 3.71666245E+00 1.00021620E+04 4
H2O2 L 7/88H 2O 2 00 00G 200.000 3500.000 1000.000 1
4.16500285E+00 4.90831694E-03-1.90139225E-06 3.71185986E-10-2.87908305E-14 2
-1.78617877E+04 2.91615662E+00 4.27611269E+00-5.42822417E-04 1.67335701E-05 3
-2.15770813E-08 8.62454363E-12-1.77025821E+04 3.43505074E+00 1.11588350E+04 4
C L11/88C 1 00 00 00G 200.000 3500.000 1000.000 1
2.49266888E+00 4.79889284E-05-7.24335020E-08 3.74291029E-11-4.87277893E-15 2
8.54512953E+04 4.80150373E+00 2.55423955E+00-3.21537724E-04 7.33792245E-07 3
-7.32234889E-10 2.66521446E-13 8.54438832E+04 4.53130848E+00 6.53589500E+03 4
CH TPIS79C 1H 1 00 00G 200.000 3500.000 1000.000 1
2.87846473E+00 9.70913681E-04 1.44445655E-07-1.30687849E-10 1.76079383E-14 2
7.10124364E+04 5.48497999E+00 3.48981665E+00 3.23835541E-04-1.68899065E-06 3
3.16217327E-09-1.40609067E-12 7.07972934E+04 2.08401108E+00 8.62500000E+03 4
CH2 L S/93C 1H 2 00 00G 200.000 3500.000 1000.000 1
2.87410113E+00 3.65639292E-03-1.40894597E-06 2.60179549E-10-1.87727567E-14 2
4.62636040E+04 6.17119324E+00 3.76267867E+00 9.68872143E-04 2.79489841E-06 3
-3.85091153E-09 1.68741719E-12 4.60040401E+04 1.56253185E+00 1.00274170E+04 4
CH2* L S/93C 1H 2 00 00G 200.000 3500.000 1000.000 1
2.29203842E+00 4.65588637E-03-2.01191947E-06 4.17906000E-10-3.39716365E-14 2
5.09259997E+04 8.62650169E+00 4.19860411E+00-2.36661419E-03 8.23296220E-06 3
-6.68815981E-09 1.94314737E-12 5.04968163E+04-7.69118967E-01 9.93967200E+03 4
CH3 L11/89C 1H 3 00 00G 200.000 3500.000 1000.000 1
2.28571772E+00 7.23990037E-03-2.98714348E-06 5.95684644E-10-4.67154394E-14 2
1.67755843E+04 8.48007179E+00 3.67359040E+00 2.01095175E-03 5.73021856E-06 3
-6.87117425E-09 2.54385734E-12 1.64449988E+04 1.60456433E+00 1.03663400E+04 4
CH4 L 8/88C 1H 4 00 00G 200.000 3500.000 1000.000 1
7.48514950E-02 1.33909467E-02-5.73285809E-06 1.22292535E-09-1.01815230E-13 2
-9.46834459E+03 1.84373180E+01 5.14987613E+00-1.36709788E-02 4.91800599E-05 3
-4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00 1.00161980E+04 4
CO TPIS79C 1O 1 00 00G 200.000 3500.000 1000.000 1
2.71518561E+00 2.06252743E-03-9.98825771E-07 2.30053008E-10-2.03647716E-14 2
-1.41518724E+04 7.81868772E+00 3.57953347E+00-6.10353680E-04 1.01681433E-06 3
9.07005884E-10-9.04424499E-13-1.43440860E+04 3.50840928E+00 8.67100000E+03 4
CO2 L 7/88C 1O 2 00 00G 200.000 3500.000 1000.000 1
3.85746029E+00 4.41437026E-03-2.21481404E-06 5.23490188E-10-4.72084164E-14 2
-4.87591660E+04 2.27163806E+00 2.35677352E+00 8.98459677E-03-7.12356269E-06 3
2.45919022E-09-1.43699548E-13-4.83719697E+04 9.90105222E+00 9.36546900E+03 4
HCO L12/89H 1C 1O 1 00G 200.000 3500.000 1000.000 1
2.77217438E+00 4.95695526E-03-2.48445613E-06 5.89161778E-10-5.33508711E-14 2
4.01191815E+03 9.79834492E+00 4.22118584E+00-3.24392532E-03 1.37799446E-05 3
-1.33144093E-08 4.33768865E-12 3.83956496E+03 3.39437243E+00 9.98945000E+03 4
CH2O L 8/88H 2C 1O 1 00G 200.000 3500.000 1000.000 1
1.76069008E+00 9.20000082E-03-4.42258813E-06 1.00641212E-09-8.83855640E-14 2
-1.39958323E+04 1.36563230E+01 4.79372315E+00-9.90833369E-03 3.73220008E-05 3
-3.79285261E-08 1.31772652E-11-1.43089567E+04 6.02812900E-01 1.00197170E+04 4
CH2OH GUNL93C 1H 3O 1 00G 200.000 3500.000 1000.0 1
3.69266569E+00 8.64576797E-03-3.75101120E-06 7.87234636E-10-6.48554201E-14 2
-3.24250627E+03 5.81043215E+00 3.86388918E+00 5.59672304E-03 5.93271791E-06 3
-1.04532012E-08 4.36967278E-12-3.19391367E+03 5.47302243E+00 1.18339080E+04 4
CH3O 121686C 1H 3O 1 G 0300.00 3000.00 1000.00 1
0.03770799E+02 0.07871497E-01-0.02656384E-04 0.03944431E-08-0.02112616E-12 2
0.12783252E+03 0.02929575E+02 0.02106204E+02 0.07216595E-01 0.05338472E-04 3
-0.07377636E-07 0.02075610E-10 0.09786011E+04 0.13152177E+02 4
CH3OH L 8/88C 1H 4O 1 00G 200.000 3500.000 1000.000 1
1.78970791E+00 1.40938292E-02-6.36500835E-06 1.38171085E-09-1.17060220E-13 2
-2.53748747E+04 1.45023623E+01 5.71539582E+00-1.52309129E-02 6.52441155E-05 3
-7.10806889E-08 2.61352698E-11-2.56427656E+04-1.50409823E+00 1.14352770E+04 4
C2H L 1/91C 2H 1 00 00G 200.000 3500.000 1000.000 1
3.16780652E+00 4.75221902E-03-1.83787077E-06 3.04190252E-10-1.77232770E-14 2
6.71210650E+04 6.63589475E+00 2.88965733E+00 1.34099611E-02-2.84769501E-05 3
2.94791045E-08-1.09331511E-11 6.68393932E+04 6.22296438E+00 1.04544720E+04 4
C2H2 L 1/91C 2H 2 00 00G 200.000 3500.000 1000.000 1
4.14756964E+00 5.96166664E-03-2.37294852E-06 4.67412171E-10-3.61235213E-14 2
2.59359992E+04-1.23028121E+00 8.08681094E-01 2.33615629E-02-3.55171815E-05 3
2.80152437E-08-8.50072974E-12 2.64289807E+04 1.39397051E+01 1.00058390E+04 4
C2H3 L 2/92C 2H 3 00 00G 200.000 3500.000 1000.000 1
3.01672400E+00 1.03302292E-02-4.68082349E-06 1.01763288E-09-8.62607041E-14 2
3.46128739E+04 7.78732378E+00 3.21246645E+00 1.51479162E-03 2.59209412E-05 3
-3.57657847E-08 1.47150873E-11 3.48598468E+04 8.51054025E+00 1.05750490E+04 4
C2H4 L 1/91C 2H 4 00 00G 200.000 3500.000 1000.000 1
2.03611116E+00 1.46454151E-02-6.71077915E-06 1.47222923E-09-1.25706061E-13 2
4.93988614E+03 1.03053693E+01 3.95920148E+00-7.57052247E-03 5.70990292E-05 3
-6.91588753E-08 2.69884373E-11 5.08977593E+03 4.09733096E+00 1.05186890E+04 4
C2H5 L12/92C 2H 5 00 00G 200.000 3500.000 1000.000 1
1.95465642E+00 1.73972722E-02-7.98206668E-06 1.75217689E-09-1.49641576E-13 2
1.28575200E+04 1.34624343E+01 4.30646568E+00-4.18658892E-03 4.97142807E-05 3
-5.99126606E-08 2.30509004E-11 1.28416265E+04 4.70720924E+00 1.21852440E+04 4
C2H6 L 8/88C 2H 6 00 00G 200.000 3500.000 1000.000 1
1.07188150E+00 2.16852677E-02-1.00256067E-05 2.21412001E-09-1.90002890E-13 2
-1.14263932E+04 1.51156107E+01 4.29142492E+00-5.50154270E-03 5.99438288E-05 3
-7.08466285E-08 2.68685771E-11-1.15222055E+04 2.66682316E+00 1.18915940E+04 4
CH2CO L 5/90C 2H 2O 1 00G 200.000 3500.000 1000.000 1
4.51129732E+00 9.00359745E-03-4.16939635E-06 9.23345882E-10-7.94838201E-14 2
-7.55105311E+03 6.32247205E-01 2.13583630E+00 1.81188721E-02-1.73947474E-05 3
9.34397568E-09-2.01457615E-12-7.04291804E+03 1.22156480E+01 1.17977430E+04 4
HCCO SRIC91H 1C 2O 1 G 0300.00 4000.00 1000.00 1
0.56282058E+01 0.40853401E-02-0.15934547E-05 0.28626052E-09-0.19407832E-13 2
0.19327215E+05-0.39302595E+01 0.22517214E+01 0.17655021E-01-0.23729101E-04 3
0.17275759E-07-0.50664811E-11 0.20059449E+05 0.12490417E+02 4
HCCOH SRI91C 2O 1H 20 0G 300.000 5000.000 1000.G 1
0.59238291E+01 0.67923600E-02-0.25658564E-05 0.44987841E-09-0.29940101E-13 2
0.72646260E+04-0.76017742E+01 0.12423733E+01 0.31072201E-01-0.50866864E-04 3
0.43137131E-07-0.14014594E-10 0.80316143E+04 0.13874319E+02 4
N2 121286N 2 G 0300.00 5000.00 1000.00 1
0.02926640E+02 0.14879768E-02-0.05684760E-05 0.10097038E-09-0.06753351E-13 2
-0.09227977E+04 0.05980528E+02 0.03298677E+02 0.14082404E-02-0.03963222E-04 3
0.05641515E-07-0.02444854E-10-0.10208999E+04 0.03950372E+02 4
AR 120186AR 1 G 0300.00 5000.00 1000.00 1
0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
-0.07453750E+04 0.04366001E+02 0.02500000E+02 0.00000000E+00 0.00000000E+00 3
0.00000000E+00 0.00000000E+00-0.07453750E+04 0.04366001E+02 4
C4H P 1/93C 4H 1 0 0G 300.000 3000.000 1
0.77697593E+01 0.49829976E-02-0.17628546E-05 0.28144284E-09-0.16689869E-13 2
0.94345900E+05-0.14165274E+02 0.13186295E+01 0.38582956E-01-0.71385623E-04 3
0.65356359E-07-0.22617666E-10 0.95456106E+05 0.15567583E+02 4
C4H2 P 1/93C 4H 2 0 0G 300.000 3000.000 1
0.86637708E+01 0.67247189E-02-0.23593397E-05 0.37506380E-09-0.22230940E-13 2
0.53252275E+05-0.21093503E+02-0.39201030E+00 0.51937565E-01-0.91737340E-04 3
0.80471986E-07-0.26898218E-10 0.54845266E+05 0.20957794E+02 4
C6H2 P 1/93C 6H 2 0 0G 300.000 3000.000 1
0.13226281E+02 0.73904302E-02-0.22715381E-05 0.25875217E-09-0.55356741E-14 2
0.80565258E+05-0.41201176E+02-0.15932624E+01 0.80530145E-01-0.14800649E-03 3
0.13300031E-06-0.45332313E-10 0.83273227E+05 0.27980873E+02 4
C6H P 1/93C 6H 1 0 0G 300.000 3000.000 1
0.12370055E+02 0.52177699E-02-0.16885009E-05 0.25807149E-09-0.15472851E-13 2
0.12158739E+06-0.34952797E+02-0.25630299E+00 0.63793827E-01-0.11440118E-03 3
0.10136744E-06-0.34361855E-10 0.12408855E+06 0.24930750E+02 4
C2O 121286C 2O 1 G 0300.00 5000.00 1000.00 1
0.04849809E+02 0.02947585E-01-0.01090729E-04 0.01792562E-08-0.01115758E-12 2
0.03282055E+06-0.06453226E+01 0.03368851E+02 0.08241803E-01-0.08765145E-04 3
0.05569262E-07-0.01540009E-10 0.03317081E+06 0.06713314E+02 4
C3H2 121686C 3H 2 G 0300.00 5000.00 1000.00 1
0.06530853E+02 0.05870316E-01-0.01720777E-04 0.02127498E-08-0.08291910E-13 2
0.05115214E+06-0.01122728E+03 0.02691077E+02 0.01480366E+00-0.03250551E-04 3
-0.08644363E-07 0.05284878E-10 0.05219072E+06 0.08757391E+02 4
C3H3 82489C 3H 3 G 0300.00 4000.00 1000.00 1
0.08831047E+02 0.04357195E-01-0.04109067E-05-0.02368723E-08 0.04376520E-12 2
0.03847420E+06-0.02177919E+03 0.04754200E+02 0.01108028E+00 0.02793323E-05 3
-0.05479212E-07 0.01949629E-10 0.03988883E+06 0.05854549E+01 4
AC3H4 40687C 3H 4 G 0300.00 5000.00 1000.00 1
0.05729144E+02 0.01236804E+00-0.04805627E-04 0.08601364E-08-0.05812802E-12 2
0.02012984E+06-0.09448668E+02-0.02131969E+01 0.03358714E+00-0.03804870E-03 3
0.02745838E-06-0.08690044E-10 0.02162048E+06 0.02029393E+03 4
PC3H4 40687C 3H 4 G 0300.00 5000.00 1000.00 1
0.05511034E+02 0.01246956E+00-0.04814165E-04 0.08573769E-08-0.05771561E-12 2
0.01961967E+06-0.01079475E+03 0.06271447E+01 0.03116179E+00-0.03747664E-03 3
0.02964118E-06-0.09987382E-10 0.02083493E+06 0.01346880E+03 4
H2C4O 120189H 2C 4O 1 G 0300.00 4000.00 1000.00 1
0.01026888E+03 0.04896164E-01-0.04885081E-05-0.02708566E-08 0.05107013E-12 2
0.02346903E+06-0.02815985E+03 0.04810971E+02 0.01313999E+00 0.09865073E-05 3
-0.06120720E-07 0.01640003E-10 0.02545803E+06 0.02113424E+02 4
C5H2 20587C 5H 2 G 0300.00 5000.00 1000.00 1
0.01132917E+03 0.07424057E-01-0.02628189E-04 0.04082541E-08-0.02301333E-12 2
0.07878706E+06-0.03617117E+03 0.03062322E+02 0.02709998E+00-0.01009170E-03 3
-0.01272745E-06 0.09167219E-10 0.08114969E+06 0.07071078E+02 4
C5H3 20387C 5H 3 G 0300.00 5000.00 1000.00 1
0.01078762E+03 0.09539619E-01-0.03206745E-04 0.04733323E-08-0.02512135E-12 2
0.06392904E+06-0.03005444E+03 0.04328720E+02 0.02352480E+00-0.05856723E-04 3
-0.01215449E-06 0.07726478E-10 0.06588531E+06 0.04173259E+02 4
C4H4 HW /94C 4H 4 0 0G 300.000 3000.000 1
0.66507092E+01 0.16129434E-01-0.71938875E-05 0.14981787E-08-0.11864110E-12 2
0.31195992E+05-0.97952118E+01-0.19152479E+01 0.52750878E-01-0.71655944E-04 3
0.55072423E-07-0.17286228E-10 0.32978504E+05 0.31419983E+02 4
n-C4H3 HW /94C 4H 3 0 0G 300.000 3000.000 1
0.54328279E+01 0.16860981E-01-0.94313109E-05 0.25703895E-08-0.27456309E-12 2
0.61600680E+05-0.15673981E+01-0.31684113E+00 0.46912100E-01-0.68093810E-04 3
0.53179921E-07-0.16523005E-10 0.62476199E+05 0.24622559E+02 4
i-C4H3 AB1/93C 4H 3 0 0G 300.000 3000.000 1
0.90978165E+01 0.92207119E-02-0.33878441E-05 0.49160498E-09-0.14529780E-13 2
0.56600574E+05-0.19802597E+02 0.20830412E+01 0.40834274E-01-0.62159685E-04 3
0.51679358E-07-0.17029184E-10 0.58005129E+05 0.13617462E+02 4
C2H3O T04/83O 1H 3C 2 0G 300.000 5000.000 1
0.59756699E+01 0.81305914E-02-0.27436245E-05 0.40703041E-09-0.21760171E-13 2
0.49032178E+03-0.50320879E+01 0.34090624E+01 0.10738574E-01 0.18914925E-05 3
0.71585831E-08 0.28673851E-11 0.15214766E+04 0.95714535E+01 0.30474436E+04 4
n-C4H5 HW /94C 4H 5 0 0G 300.000 3000.000 1
0.98501978E+01 0.10779008E-01-0.13672125E-05-0.77200535E-09 0.18366314E-12 2
0.38840301E+05-0.26001846E+02 0.16305321E+00 0.39830137E-01-0.34000128E-04 3
0.15147233E-07-0.24665825E-11 0.41429766E+05 0.23536163E+02 4
i-C4H5 HW /94C 4H 5 0 0G 300.000 3000.000 1
0.10229092E+02 0.94850138E-02-0.90406445E-07-0.12596100E-08 0.24781468E-12 2
0.34642812E+05-0.28564529E+02-0.19932900E-01 0.38005672E-01-0.27559450E-04 3
0.77835551E-08 0.40209383E-12 0.37496223E+05 0.24394241E+02 4
n-C4H7 HW /94C 4H 7 0 0G 300.000 3000.000 1
0.11963392E+02 0.11425305E-01 0.78948909E-06-0.19858872E-08 0.36873645E-12 2
0.16962977E+05-0.37542908E+02 0.28698254E+00 0.36964495E-01-0.86277441E-05 3
-0.15051821E-07 0.89891263E-11 0.20551301E+05 0.24484467E+02 4
C4H6 HW /94C 4H 6 0 0G 300.000 3000.000 1
0.88673134E+01 0.14918670E-01-0.31548716E-05-0.41841330E-09 0.15761258E-12 2
0.91338516E+04-0.23328171E+02 0.11284465E+00 0.34369022E-01-0.11107392E-04 3
-0.92106660E-08 0.62065179E-11 0.11802270E+05 0.23089996E+02 4
C4H612 A 8/83C 4H 6 0 0G 300. 3000. 1000.0 1
0.1781557E 02 -0.4257502E-02 0.1051185E-04 -0.4473844E-08 0.5848138E-12 2
0.1267342E 05 -0.6982662E 02 0.1023467E 01 0.3495919E-01 -0.2200905E-04 3
0.6942272E-08 -0.7879187E-12 0.1811799E 05 0.1975066E 02 0.1950807E+05 4
l-C6H4 HW /94C 6H 4 0 0G 300.000 3000.000 1
0.12715182E+02 0.13839662E-01-0.43765440E-05 0.31541636E-09 0.46619026E-13 2
0.57031148E+05-0.39464600E+02 0.29590225E+00 0.58053318E-01-0.67766756E-04 3
0.43376762E-07-0.11418864E-10 0.60001371E+05 0.22318970E+02 4
c-C6H4 HW /94C 6H 4 0 0G 300.000 3000.000 1
0.13849209E+02 0.78807920E-02 0.18243836E-05-0.21169166E-08 0.37459977E-12 2
0.47446340E+05-0.50404953E+02-0.30991268E+01 0.54030564E-01-0.40839004E-04 3
0.10738837E-07 0.98078490E-12 0.52205711E+05 0.37415207E+02 4
c-C6H3 FAKE C 6H 3 0 0G 300.000 3000.000 1
0.13849209E+02 0.78807920E-02 0.18243836E-05-0.21169166E-08 0.37459977E-12 2
0.47446340E+05-0.50404953E+02-0.30991268E+01 0.54030564E-01-0.40839004E-04 3
0.10738837E-07 0.98078490E-12 0.52205711E+05 0.37415207E+02 4
n-C6H5 HW /94C 6H 5 0 0G 300.000 3000.000 1
0.16070068E+02 0.81899539E-02 0.17325165E-05-0.20624185E-08 0.36292345E-12 2
0.64616867E+05-0.56163742E+02-0.61135769E+00 0.65082610E-01-0.78262397E-04 3
0.53030828E-07-0.14946683E-10 0.68805375E+05 0.27635468E+02 4
l-C6H6 HW /94C 6H 6 0 0G 300.000 3000.000 1
0.10874918E+02 0.23293324E-01-0.94495535E-05 0.16255329E-08-0.84771200E-13 2
0.36224055E+05-0.30326756E+02 0.59114441E-01 0.55723339E-01-0.43485274E-04 3
0.14487391E-07-0.52512541E-12 0.39042688E+05 0.24796795E+02 4
c-C6H7 HW /94C 6H 7 0 0G 300.000 3000.000 1
0.19996841E+02 0.11189543E-02 0.11649756E-04-0.62779471E-08 0.94939508E-12 2
0.16730059E+05-0.83746933E+02-0.30328493E+01 0.50804518E-01-0.69150292E-05 3
-0.29715974E-07 0.16296353E-10 0.23895383E+05 0.38909180E+02 4
n-C6H7 HW /94C 6H 7 0 0G 300.000 3000.000 1
0.22577469E+02-0.30737517E-02 0.14225234E-04-0.69880848E-08 0.10232874E-11 2
0.41228980E+05-0.91568619E+02 0.13248032E+00 0.57103366E-01-0.43712644E-04 3
0.15538603E-07-0.12976356E-11 0.47730512E+05 0.25339081E+02 4
C6H8 HW /94C 6H 8 0 0G 300.000 3000.000 1
0.28481979E+02-0.15702948E-01 0.26771697E-04-0.11780109E-07 0.16573427E-11 2
0.93346445E+04-0.12500226E+03 0.15850439E+01 0.40215142E-01 0.78439543E-05 3
-0.38761325E-07 0.18545207E-10 0.17949613E+05 0.19112625E+02 4
C6H3 HW /94C 6H 3 0 0G 300.000 3000.000 1
0.58188343E+01 0.27933408E-01-0.17825427E-04 0.53702536E-08-0.61707627E-12 2
0.85188250E+05-0.92147827E+00 0.11790619E+01 0.55547360E-01-0.73076168E-04 3
0.52076736E-07-0.15046964E-10 0.85647312E+05 0.19179199E+02 4
i-C6H5 HW /94C 6H 5 0 0G 300.000 3000.000 1
0.22501663E+02-0.81009977E-02 0.15955695E-04-0.72310371E-08 0.10310424E-11 2
0.58473410E+05-0.91224777E+02-0.78585434E+00 0.60221825E-01-0.62890264E-04 3
0.36310730E-07-0.87000259E-11 0.64942270E+05 0.28658905E+02 4
i-C6H7 HW /94C 6H 7 0 0G 300.000 3000.000 1
0.20481506E+02 0.79439697E-03 0.11450761E-04-0.60991177E-08 0.91756724E-12 2
0.37728426E+05-0.81812073E+02-0.17099094E+01 0.62486034E-01-0.54290707E-04 3
0.26959682E-07-0.58999090E-11 0.44086621E+05 0.33344772E+02 4
A1 HW /94C 6H 6 0 0G 300.000 3000.000 1
0.17246994E+02 0.38420164E-02 0.82776232E-05-0.48961120E-08 0.76064545E-12 2
0.26646055E+04-0.71945175E+02-0.48998680E+01 0.59806932E-01-0.36710087E-04 3
0.32740399E-08 0.37600886E-11 0.91824570E+04 0.44095642E+02 4
A1- HW /94C 6H 5 0 0G 300.000 3000.000 1
0.14493439E+02 0.75712688E-02 0.37894542E-05-0.30769500E-08 0.51347820E-12 2
0.33189977E+05-0.54288940E+02-0.49076147E+01 0.59790771E-01-0.45639827E-04 3
0.14964993E-07-0.91767826E-12 0.38733410E+05 0.46567780E+02 4
A1C2H HW /94C 8H 6 0 0G 300.000 3000.000 1
0.24090759E+02 0.78232400E-03 0.11453964E-04-0.61620504E-08 0.93346685E-12 2
0.27429445E+05-0.10499631E+03-0.52645016E+01 0.84511042E-01-0.76597848E-04 3
0.33216978E-07-0.47673063E-11 0.35566242E+05 0.46378815E+02 4
A1C2H* HW /94C 8H 5 0 0G 300.000 3000.000 1
0.28686157E+02-0.13869863E-01 0.22721186E-04-0.99882271E-08 0.14085851E-11 2
0.56047309E+05-0.12750334E+03-0.29324217E+01 0.66043675E-01-0.39500475E-04 3
-0.31830381E-08 0.85300387E-11 0.65324043E+05 0.38058685E+02 4
A1C2H- HW /94C 8H 5 0 0G 300.000 3000.000 1
0.12359501E+02 0.25453357E-01-0.10606554E-04 0.18914603E-08-0.10630622E-12 2
0.60930461E+05-0.40900208E+02-0.44495859E+01 0.76995067E-01-0.66617038E-04 3
0.25038682E-07-0.19756601E-11 0.65225926E+05 0.44427948E+02 4
n-A1C2H2 HW /94C 8H 7 0 0G 300.000 3000.000 1
0.30433151E+02-0.13965182E-01 0.25416972E-04-0.11354174E-07 0.16092050E-11 2
0.35738719E+05-0.13416492E+03-0.44899931E+01 0.78750789E-01-0.62376959E-04 3
0.21952140E-07-0.16960955E-11 0.45902949E+05 0.47980759E+02 4
i-A1C2H2 HW /94C 8H 7 0 0G 300.000 3000.000 1
0.24365524E+02 0.11262144E-02 0.12931670E-04-0.69641146E-08 0.10540145E-11 2
0.33549121E+05-0.10462067E+03-0.25971584E+01 0.63454390E-01-0.20852312E-04 3
-0.22604624E-07 0.15112869E-10 0.41707375E+05 0.37893417E+02 4
A1C2H3 HW /94C 8H 8 0 0G 300.000 3000.000 1
0.11303213E+02 0.33709887E-01-0.13208885E-04 0.21140962E-08-0.87311377E-13 2
0.11725388E+05-0.34737919E+02-0.38678493E+01 0.67947865E-01-0.25230333E-04 3
-0.18017145E-07 0.12998470E-10 0.16200269E+05 0.45271770E+02 4
A1C2H3* HW /94C 8H 7 0 0G 300.000 3000.000 1
0.11563599E+02 0.30210810E-01-0.11545593E-04 0.17302320E-08-0.52379765E-13 2
0.40498492E+05-0.34882965E+02-0.38868685E+01 0.68168961E-01-0.34805875E-04 3
-0.56410254E-08 0.80714758E-11 0.44941359E+05 0.45943188E+02 4
A1C2HC2H2 HW /94C 10H 7 0 0G 300.000 3000.000 1
0.37523422E+02-0.17028838E-01 0.28777416E-04-0.12719674E-07 0.17976818E-11 2
0.61041488E+05-0.17188731E+03-0.63184557E+01 0.11657917E+00-0.13638573E-03 3
0.88823526E-07-0.24348468E-10 0.72977062E+05 0.52624207E+02 4
A1C2H)2 HW /94C 10H 6 0 0G 300.000 3000.000 1
0.39766785E+02-0.24939798E-01 0.34210185E-04-0.14473258E-07 0.20104023E-11 2
0.50136750E+05-0.18657632E+03-0.75570364E+01 0.12159592E+00-0.15138849E-03 3
0.10287488E-06-0.28950911E-10 0.62914168E+05 0.55213287E+02 4
A2-1 HW /94C 10H 7 0 0G 300.000 3000.000 1
0.38380905E+02-0.23157451E-01 0.35479272E-04-0.15395457E-07 0.21609069E-11 2
0.32698469E+05-0.18106512E+03-0.85287294E+01 0.10334599E+00-0.91922702E-04 3
0.43147448E-07-0.85738135E-11 0.46335004E+05 0.63342224E+02 4
A2-2 HW /94C 10H 7 0 0G 300.000 3000.000 1
0.37326401E+02-0.20478070E-01 0.33183067E-04-0.14576987E-07 0.20569137E-11 2
0.32840301E+05-0.17537704E+03-0.38448524E+01 0.70514679E-01-0.93748040E-05 3
-0.44051607E-07 0.24267865E-10 0.45627656E+05 0.43582001E+02 4
A2 HW /94C 10H 8 0 0G 300.000 3000.000 1
0.36468643E+02-0.15419513E-01 0.30160038E-04-0.13700120E-07 0.19582730E-11 2
0.35091445E+04-0.17329489E+03-0.94505043E+01 0.11137849E+00-0.10345667E-03 3
0.52800392E-07-0.11804439E-10 0.16695594E+05 0.65187668E+02 4
naphthyne HW /94C 10H 6 0 0G 300.000 3000.000 1
0.37680222E+02-0.23843173E-01 0.34590019E-04-0.14841252E-07 0.20744023E-11 2
0.45771934E+05-0.17676088E+03-0.68131294E+01 0.96868336E-01-0.87982247E-04 3
0.41858918E-07-0.82716637E-11 0.58661090E+05 0.54849548E+02 4
A2C2H2 HW /94C 12H 9 0 0G 300.000 3000.000 1
0.38449295E+02-0.62794946E-02 0.24404828E-04-0.11968822E-07 0.17586878E-11 2
0.41090176E+05-0.17668623E+03-0.78516331E+01 0.12104863E+00-0.10531662E-03 3
0.46280483E-07-0.77963885E-11 0.54316234E+05 0.63654388E+02 4
A2C2HA HW /94C 12H 8 0 0G 300.000 3000.000 1
0.49453674E+02-0.33857111E-01 0.46505607E-04-0.19681195E-07 0.27340769E-11 2
0.26851051E+05-0.23933099E+03-0.11530450E+02 0.14741433E+00-0.17302344E-03 3
0.11500390E-06-0.32709183E-10 0.43793129E+05 0.74391754E+02 4
A2C2HB HW /94C 12H 8 0 0G 300.000 3000.000 1
0.18184774E+02 0.41343965E-01-0.17302822E-04 0.31004770E-08-0.17580817E-12 2
0.36171543E+05-0.73466003E+02-0.68233256E+01 0.11382083E+00-0.88584900E-04 3
0.25930856E-07 0.80712824E-12 0.42797719E+05 0.54592098E+02 4
A2C2HA* HW /94C 12H 7 0 0G 300.000 3000.000 1
0.36614349E+02-0.60314685E-02 0.21614964E-04-0.10579910E-07 0.15563124E-11 2
0.60723898E+05-0.17026691E+03-0.84175968E+01 0.12391680E+00-0.12250672E-03 3
0.64071344E-07-0.13889583E-10 0.73248562E+05 0.61893204E+02 4
A2C2HB* HW /94C 12H 7 0 0G 300.000 3000.000 1
0.44933517E+02-0.26026871E-01 0.38589074E-04-0.16646357E-07 0.23321310E-11 2
0.57926637E+05-0.21417279E+03-0.11824737E+02 0.14904183E+00-0.18618468E-03 3
0.13129460E-06-0.39145326E-10 0.73385375E+05 0.76273834E+02 4
A2C2H)2 HW /94C 14H 8 0 0G 300.000 3000.000 1
0.23671062E+02 0.42137049E-01-0.17596645E-04 0.31081251E-08-0.16805216E-12 2
0.77926273E+05-0.99615448E+02-0.63029008E+01 0.13745695E+00-0.13055481E-03 3
0.60730663E-07-0.10178345E-10 0.85489430E+05 0.51891548E+02 4
A2HR5 HW /94C 12H 9 0 0G 300.000 3000.000 1
0.51227890E+02-0.36250230E-01 0.50296483E-04-0.21346413E-07 0.29698119E-11 2
0.32111648E+05-0.25061665E+03-0.92796507E+01 0.11707741E+00-0.78334211E-04 3
0.10778407E-07 0.66555260E-11 0.50063973E+05 0.66712509E+02 4
A2R5 HW /94C 12H 8 0 0G 300.000 3000.000 1
0.45883698E+02-0.27226903E-01 0.41569336E-04-0.18047093E-07 0.25351396E-11 2
0.13394574E+05-0.22304584E+03-0.97011614E+01 0.12019449E+00-0.98907694E-04 3
0.37240884E-07-0.41124578E-11 0.29601926E+05 0.66970596E+02 4
A3-4 HW /94C 14H 9 0 0G 300.000 3000.000 1
0.55788879E+02-0.37930615E-01 0.53528085E-04-0.22830790E-07 0.31841231E-11 2
0.32605633E+05-0.27378882E+03-0.11266616E+02 0.14216852E+00-0.12632679E-03 3
0.58348800E-07-0.11184283E-10 0.52141961E+05 0.75774780E+02 4
A3-1 HW /94C 14H 9 0 0G 300.000 3000.000 1
0.51812469E+02-0.28380312E-01 0.45409150E-04-0.19924162E-07 0.28118107E-11 2
0.34357359E+05-0.25257889E+03-0.73971558E+01 0.11464679E+00-0.57456185E-04 3
-0.14070547E-07 0.16005933E-10 0.52239715E+05 0.59582397E+02 4
A3 HW /94C 14H 10 0 0G 300.000 3000.000 1
0.55916473E+02-0.35253201E-01 0.52522926E-04-0.22672634E-07 0.31770584E-11 2
0.32654609E+04-0.27604980E+03-0.12275226E+02 0.15032256E+00-0.13862801E-03 3
0.69376767E-07-0.15105445E-10 0.23030492E+05 0.78889145E+02 4
A3C2H2 HW /94C 16H 11 0 0G 300.000 3000.000 1
0.47582428E+02-0.12822752E-02 0.25647692E-04-0.13378838E-07 0.20086545E-11 2
0.46191215E+05-0.22653258E+03-0.95893555E+01 0.15080631E+00-0.11617327E-03 3
0.36814228E-07-0.12802901E-11 0.62701906E+05 0.71309311E+02 4
A3C2H HW /94C 16H 10 0 0G 300.000 3000.000 1
0.52165146E+02-0.13197318E-01 0.34353056E-04-0.16283892E-07 0.23677362E-11 2
0.34235055E+05-0.25406651E+03-0.11602674E+02 0.16824394E+00-0.16432030E-03 3
0.86394380E-07-0.19310567E-10 0.52172836E+05 0.75515366E+02 4
A4H HW /94C 16H 11 0 0G 300.000 3000.000 1
0.53775238E+02-0.15681151E-01 0.38488797E-04-0.18134241E-07 0.26325071E-11 2
0.24154484E+05-0.26532764E+03-0.12209255E+02 0.15599608E+00-0.11474930E-03 3
0.30214796E-07 0.18287498E-11 0.43453211E+05 0.79503540E+02 4
A4 HW /94C 16H 10 0 0G 300.000 3000.000 1
0.58017273E+02-0.29164989E-01 0.48728383E-04-0.21593682E-07 0.30609786E-11 2
0.43451016E+04-0.29017163E+03-0.13759249E+02 0.16772294E+00-0.15500121E-03 3
0.75759544E-07-0.15674045E-10 0.24996187E+05 0.82853027E+02 4
A4- HW /94C 16H 9 0 0G 300.000 3000.000 1
0.22088816E+02 0.53355407E-01-0.22329932E-04 0.39479620E-08-0.21313176E-12 2
0.45200934E+05-0.96724930E+02-0.96258593E+01 0.13385314E+00-0.77600773E-04 3
-0.36330547E-08 0.13855670E-10 0.54171852E+05 0.68499725E+02 4
P2 HW /94C 12H 10 0 0G 300.000 3000.000 1
0.50761871E+02-0.34501564E-01 0.50293413E-04-0.21559579E-07 0.30097192E-11 2
0.21538867E+04-0.24670712E+03-0.10283234E+02 0.12428707E+00-0.95990268E-04 3
0.32294793E-07-0.23045229E-11 0.20165258E+05 0.72707947E+02 4
P2- HW /94C 12H 9 0 0G 300.000 3000.000 1
0.44711853E+02-0.22851825E-01 0.39102117E-04-0.17352100E-07 0.24579375E-11 2
0.33714000E+05-0.21220692E+03-0.11851097E+02 0.13545156E+00-0.13310938E-03 3
0.73769911E-07-0.18193003E-10 0.49878781E+05 0.81107361E+02 4
P2-H HW /94C 12H 11 0 0G 300.000 3000.000 1
0.41542511E+02-0.83502531E-02 0.29097937E-04-0.14148299E-07 0.20728341E-11 2
0.22772937E+05-0.19578616E+03-0.99978790E+01 0.12279570E+00-0.80112615E-04 3
0.11102152E-07 0.64273890E-11 0.37960410E+05 0.74195984E+02 4
C5H5 L 7/89C 5H 5 0 0G 200.000 6000.000 1
0.10844066d+02 0.15392837d-01-0.55630421d-05 0.90189371d-09-0.54156531d-13 2
0.26900566d+05-0.35254948d+02-0.95903718d+00 0.31396859d-01 0.26723794d-04 3
-0.68941872d-07 0.33301856d-10 0.30729120d+05 0.29072816d+02 0.31954258d+05 4
C5H6 C-P10/85C 5H 6 0 0G 298.150 5000.000 1
0.10624320E 02 0.17735448E-01-0.62330446E-05 0.97308317E-09-0.55500130E-13 2
0.10772188E 05-0.35773422E 02-0.28978958E 01 0.43484777E-01-0.33511005E-05 3
-0.31103756E-07 0.16912444E-10 0.15084742E 05 0.36894760E 02 0.16068486E 05 4
C6H5O L12/84C 6H 5O 1 0G 300.000 5000.000 1
0.13833984E 02 0.17618403E-01-0.60696257E-05 0.91988173E-09-0.50449181E-13 2
-0.69212549E 03-0.50392990E 02-0.18219433E 01 0.48122510E-01-0.46792302E-05 3
-0.34018594E-07 0.18649637E-10 0.42429180E 04 0.33526199E 02 0.57367379E 04 4
C6H5OH L 4/84C 6H 6O 1 0G 300.000 5000.000 1
0.14912073E 02 0.18378135E-01-0.61983128E-05 0.91983221E-09-0.49209565E-13 2
-0.18375199E 05-0.55924103E 02-0.16956539E 01 0.52271299E-01-0.72024050E-05 3
-0.35859603E-07 0.20449073E-10-0.13284121E 05 0.32542160E 02-0.11594207E 05 4
C5H4OH L 8/89C 5H 5O 1 0G 200.000 6000.000 1
0.13367912d+02 0.15205785d-01-0.54592258d-05 0.88134866d-09-0.52774454d-13 2
0.38411506d+04-0.45920839d+02-0.12822236d+01 0.49041160d-01-0.13688997d-04 3
-0.29133858d-07 0.19006964d-10 0.80087098d+04 0.30798358d+02 0.96365992d+04 4
C5H4O P 1/93C 5H 4O 1 0G 300.000 3000.000 1
0.47927242E+01 0.29221680E-01-0.15997486E-04 0.42069049E-08-0.42815179E-12 2
0.22849286E+04-0.30131893E+01-0.23915355E+01 0.47363680E-01-0.30728171E-04 3
0.78031552E-08-0.25145729E-12 0.43740152E+04 0.34594337E+02 4
C5H5O L 7/89C 5O 1H 5 0G 200.000 6000.000 1
0.12606422d+02 0.16747260d-01-0.61098574d-05 0.99676557d-09-0.60113201d-13 2
0.39313455d+04-0.42604277d+02 0.23042835d+00 0.32322691d-01 0.28900443d-04 3
-0.70679977d-07 0.33406891d-10 0.80753082d+04 0.25330974E 02 4
END

3
applications/test/readCHEMKINIII/Make/files
View File

@ -1,3 +0,0 @@
Test-readCHEMKINIII.C
EXE = $(FOAM_USER_APPBIN)/Test-readCHEMKINIII

8
applications/test/readCHEMKINIII/Make/options
View File

@ -1,8 +0,0 @@
EXE_INC = \
-I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
-I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude
EXE_LIBS = \
-lspecie \
-lbasicThermophysicalModels \
-lreactionThermophysicalModels

95
applications/test/readCHEMKINIII/Test-readCHEMKINIII.C
View File

@ -1,95 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright (C) 2011 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software: you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
\*---------------------------------------------------------------------------*/
#include "chemkinReader.H"
#include "argList.H"
#include "IFstream.H"
#include "OFstream.H"
using namespace Foam;
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Main program:
int main(int argc, char *argv[])
{
argList::validArgs.append("CHEMKINIIIFile");
argList::addOption("thermo", "fileName");
argList args(argc, argv);
fileName thermoFileName = fileName::null;
args.optionReadIfPresent("thermo", thermoFileName);
speciesTable dummySpecies;
chemkinReader ck(args[1], dummySpecies, thermoFileName);
//Info<< ck.isotopeAtomicWts() << nl
// << ck.specieNames() << nl
// << ck.speciePhase() << nl
// << ck.specieThermo() << nl
// << ck.reactions() << endl;
const SLPtrList<gasReaction>& reactions = ck.reactions();
{
OFstream reactionStream("reactions");
reactionStream<< reactions << endl;
}
{
IFstream reactionStream("reactions");
label nReactions(readLabel(reactionStream));
reactionStream.readBeginList(args.executable().c_str());
PtrList<gasReaction> testReactions(nReactions);
forAll(testReactions, i)
{
testReactions.set
(
i,
gasReaction::New
(
ck.species(),
ck.speciesThermo(),
reactionStream
)
);
}
reactionStream.readEndList(args.executable().c_str());
Info<< testReactions << endl;
}
Info<< "End\n" << endl;
return 0;
}
// ************************************************************************* //

875
applications/test/readCHEMKINIII/reactions
View File

@ -1,875 +0,0 @@
290
(
reversibleArrheniusReaction
C7H16 + O2 = C7H15-1 + HO2
(2.5e+10 0 24560.8)
reversibleArrheniusReaction
C7H16 + O2 = C7H15-2 + HO2
(2.8e+11 0 23740.6)
reversibleArrheniusReaction
C7H16 + H = C7H15-1 + H2
(56000 2 3857.97)
reversibleArrheniusReaction
C7H16 + H = C7H15-2 + H2
(43800 2 2390.16)
reversibleArrheniusReaction
C7H16 + OH = C7H15-1 + H2O
(8.6e+06 1.1 913.292)
reversibleArrheniusReaction
C7H16 + OH = C7H15-2 + H2O
(4.8e+06 1.3 347.454)
reversibleArrheniusReaction
C7H16 + HO2 = C7H15-1 + H2O2
(8e+09 0 9711.59)
reversibleArrheniusReaction
C7H16 + HO2 = C7H15-2 + H2O2
(1e+10 0 8529.09)
reversibleArrheniusReaction
C7H16 + CH3 = C7H15-1 + CH4
(1.3e+09 0 5837.02)
reversibleArrheniusReaction
C7H16 + CH3 = C7H15-2 + CH4
(8e+08 0 4780.32)
reversibleArrheniusReaction
C7H16 = C7H15-1 + H
(3.972e+19 -0.95 51929.3)
reversibleArrheniusReaction
C7H16 = C7H15-2 + H
(1.248e+21 -1.34 50671.4)
reversibleArrheniusReaction
C7H16 = C4H9 + C3H7
(2e+16 0 40612.6)
reversibleArrheniusReaction
C7H15-1 + O2 = C7H15O2
(2e+09 0 0)
reversibleArrheniusReaction
C7H15-2 + O2 = C7H15O2
(2e+09 0 0)
reversibleArrheniusReaction
C7H15O2 = C7H14O2H
(6e+11 0 10255)
reversibleArrheniusReaction
C7H14O2H + O2 = C7H14O2HO2
(2.34e+08 0 0)
reversibleArrheniusReaction
C7H14O2HO2 = C7KET21 + OH
(2.965e+13 0 13435.2)
reversibleArrheniusReaction
C7KET21 = C5H11CO + CH2O + OH
(1e+16 0 21335.3)
reversibleArrheniusReaction
C5H11CHO + O2 = C5H11CO + HO2
(2e+10 0.5 21234.7)
reversibleArrheniusReaction
C5H11CHO + OH = C5H11CO + H2O
(1e+10 0 0)
reversibleArrheniusReaction
C5H11CHO + H = C5H11CO + H2
(4e+10 0 2113.4)
reversibleArrheniusReaction
C5H11CHO + O = C5H11CO + OH
(5e+09 0 900.712)
reversibleArrheniusReaction
C5H11CHO + HO2 = C5H11CO + H2O2
(2.8e+09 0 6843.4)
reversibleArrheniusReaction
C5H11CHO + CH3 = C5H11CO + CH4
(1.7e+09 0 4246.93)
reversibleArrheniusReaction
C5H11CHO + CH3O2 = C5H11CO + CH4O2
(1e+09 0 4780.32)
reversibleArrheniusReaction
C5H11CO = C5H11 + CO
(1e+11 0 4830.64)
reversibleArrheniusReaction
C5H11 = C2H5 + C3H6
(3.2e+13 0 14240.3)
reversibleArrheniusReaction
C7H15-1 = C2H4 + C5H11
(2.5e+13 0 14496.9)
reversibleArrheniusReaction
C7H15-2 = CH3 + C6H12
(3e+13 0 14995.1)
reversibleArrheniusReaction
C6H12 = C3H7 + C3H5
(1e+16 0 34217)
reversibleArrheniusReaction
C7H15-2 = C4H9 + C3H6
(1.2e+13 0 14894.5)
reversibleArrheniusReaction
C7H15-1 = C7H15-2
(2e+11 0 9107.76)
reversibleArrheniusReaction
C4H9 = C3H6 + CH3
(2.232e+17 -1.4 15513.4)
reversibleArrheniusReaction
C4H9 = C2H5 + C2H4
(2.5e+13 0 14496.9)
reversibleArrheniusReaction
C3H7 = C2H4 + CH3
(9.6e+13 0 15573.8)
reversibleArrheniusReaction
C3H7 = C3H6 + H
(1.25e+14 0 18567.8)
reversibleArrheniusReaction
C3H7 + O2 = C3H6 + HO2
(1e+09 0 2505.89)
reversibleArrheniusReaction
C3H6 = C2H3 + CH3
(6.15e+15 0 43022.9)
reversibleArrheniusReaction
C3H6 + H = C3H5 + H2
(5e+09 0 754.787)
reversibleArrheniusReaction
C3H6 + CH3 = C3H5 + CH4
(9e+09 0 4267.06)
reversibleArrheniusReaction
C3H6 + O2 = C3H5 + HO2
(4e+09 0 20077.3)
reversibleArrheniusReaction
C3H6 + OH = CH3CHO + CH3
(3.5e+08 0 0)
reversibleArrheniusReaction
C3H5 = C3H4 + H
(4e+13 0 35102.6)
reversibleArrheniusReaction
C3H5 + H = C3H4 + H2
(1e+10 0 0)
reversibleArrheniusReaction
C3H5 + O2 = C3H4 + HO2
(6e+08 0 5031.91)
reversibleArrheniusReaction
C3H4 + OH = C2H3 + CH2O
(1e+09 0 0)
reversibleArrheniusReaction
C3H4 + OH = C2H4 + HCO
(1e+09 0 0)
reversibleArrheniusReaction
C3H4 + O2 = C3H3 + HO2
(4e+10 0 19705)
reversibleArrheniusReaction
C2H5 + O = CH3CHO + H
(5.3e+10 0 0)
reversibleArrheniusReaction
C2H4 + HO2 = CH3CHO + OH
(2.2e+10 0 8654.89)
reversibleArrheniusReaction
C2H4 + CH3O = CH3CHO + CH3
(3e+10 0 7296.27)
reversibleArrheniusReaction
C2H4 + CH3O2 = CH3CHO + CH3O
(7e+10 0 7296.27)
reversibleArrheniusReaction
CH3CHO = CH3 + HCO
(7.08e+15 0 41140.9)
reversiblethirdBodyArrheniusReaction
CH3CO = CH3 + CO
((1.8e+13 0 7245.95) (1))
reversibleArrheniusReaction
CH3CHO + O2 = CH3CO + HO2
(2e+10 0.5 21234.7)
reversibleArrheniusReaction
CH3CHO + H = CH3CO + H2
(4.1e+10 0 2113.4)
reversibleArrheniusReaction
CH3CHO + OH = CH3CO + H2O
(1e+10 0 0)
reversibleArrheniusReaction
CH3CHO + O = CH3CO + OH
(5.8e+09 0 900.712)
reversibleArrheniusReaction
CH3CHO + CH3 = CH3CO + CH4
(1.7e+09 0 4246.93)
reversibleArrheniusReaction
CH3CHO + CH2 = CH3CO + CH3
(1.66e+09 0 1766.2)
reversibleArrheniusReaction
CH3CHO + HO2 = CH3CO + H2O2
(1.7e+09 0 5384.15)
reversibleArrheniusReaction
CH3CHO + CH3O2 = CH3CO + CH4O2
(1.15e+08 0 5031.91)
reversibleArrheniusReaction
CH3CO + O = CH3 + CO2
(1e+10 0 0)
reversibleArrheniusReaction
CH3CO + H = CH3 + HCO
(1e+11 0 0)
reversibleArrheniusReaction
CH3CO + OH = CH3 + CO + OH
(3e+10 0 0)
reversibleArrheniusReaction
CH3CO + HO2 = CH3 + CO2 + OH
(3e+10 0 0)
reversibleArrheniusReaction
CH3CO + CH3 = C2H6 + CO
(5e+10 0 0)
reversibleArrheniusReaction
CH3O + CO = CH3 + CO2
(1.57e+11 0 5937.66)
reversibleArrheniusReaction
CH3O + H = CH2O + H2
(2e+10 0 0)
reversibleArrheniusReaction
CH3O + OH = CH2O + H2O
(1e+10 0 0)
reversibleArrheniusReaction
CH3O + O = CH2O + OH
(1e+10 0 0)
reversibleArrheniusReaction
CH3O + O2 = CH2O + HO2
(1.2e+08 0 1308.3)
reversibleArrheniusLindemannFallOffReaction
CH3O = CH2O + H
((2.344e+22 -2.7 15397.7) (2e+13 0 13797.5) (1))
reversibleArrheniusReaction
CH3 + HO2 = CH3O + OH
(4.3e+10 0 0)
reversibleArrheniusReaction
CH3 + O2 = CH3O + O
(3.67e+10 0 15095.7)
reversibleArrheniusReaction
CH3 + O2 = CH2O + OH
(4.8e+07 0 4528.72)
reversibleArrheniusReaction
CH3 + O2 = CH3O2
(3.02e+56 -15 8656.9)
reversibleArrheniusReaction
CH3O2 + HO2 = CH4O2 + O2
(4.63e+08 0 -1299.74)
reversibleArrheniusReaction
CH3O2 + CH4 = CH4O2 + CH3
(1.81e+08 0 9298.97)
reversibleArrheniusReaction
CH3O2 + CH3 = CH3O + CH3O
(2.41e+10 0 0)
reversibleArrheniusReaction
CH3O2 + O = CH3O + O2
(3.61e+10 0 0)
reversibleArrheniusReaction
CH3O2 + H = CH3O + OH
(9.64e+10 0 0)
reversibleArrheniusReaction
CH3O2 + CH2O = CH4O2 + HCO
(1e+09 0 5869.73)
reversibleArrheniusReaction
CH3O2 + C2H6 = CH4O2 + C2H5
(2.95e+08 0 7519.69)
reversibleArrheniusReaction
CH3O2 + CH3O2 = CH3O + CH3O + O2
(2.8e+08 0 -392.489)
reversibleArrheniusReaction
CH3O2 + H2O2 = CH4O2 + HO2
(2.4e+09 0 5031.91)
reversibleArrheniusReaction
CH4O2 = CH3O + OH
(3e+16 0 21597)
reversibleArrheniusReaction
CH3O2 + C2H4 = C2H3 + CH4O2
(7.1e+08 0 8609.6)
reversibleArrheniusReaction
CH4O2 + OH = CH3O2 + H2O
(1e+10 0 -129.823)
reversibleArrheniusReaction
CH4O2 + O = CH3O2 + OH
(2e+10 0 2390.16)
reversibleArrheniusReaction
CH3 + O = CH2O + H
(8e+10 0 0)
reversibleArrheniusReaction
CH3 + OH = CH2 + H2O
(7500 2 2515.96)
reversibleArrheniusReaction
CH3 + OH = CH2O + H2
(4e+09 0 0)
reversibleArrheniusReaction
CH3O + H = CH3 + OH
(1e+11 0 0)
reversiblethirdBodyArrheniusReaction
CO + O = CO2
((6.17e+08 0 1509.57) (1))
reversibleArrheniusReaction
CO + OH = CO2 + H
(35100 1.3 -381.419)
reversibleArrheniusReaction
CO + O2 = CO2 + O
(1.6e+10 0 20630.8)
reversibleArrheniusReaction
HO2 + CO = CO2 + OH
(5.8e+10 0 11538.2)
reversibleArrheniusReaction
H2 + O2 = OH + OH
(1.7e+10 0 24042.5)
reversibleArrheniusReaction
H2 + OH = H2O + H
(1.17e+06 1.3 1824.57)
reversibleArrheniusReaction
O + OH = O2 + H
(4e+11 -0.5 0)
reversibleArrheniusReaction
O + H2 = OH + H
(50.6 2.67 3165.07)
reversibleArrheniusReaction
H + HO2 = O + H2O
(3.1e+07 0 1806.46)
reversiblethirdBodyArrheniusReaction
O + OH = HO2
((1e+10 0 0) (1 N2 0.7 CO 2 CO2 5 H2 3.3 H2O 6))
reversiblethirdBodyArrheniusReaction
H + O2 = HO2
((2.8e+12 -0.86 0) (1 O2 0 N2 0 CO 0.75 CO2 1.5 H2O 0 C2H6 1.5))
reversibleArrheniusReaction
H + O2 + O2 = HO2 + O2
(2.08e+13 -1.24 0)
reversibleArrheniusReaction
H + O2 + H2O = HO2 + H2O
(1.126e+13 -0.76 0)
reversibleArrheniusReaction
H + O2 + N2 = HO2 + N2
(2.6e+13 -1.24 0)
reversibleArrheniusReaction
OH + HO2 = H2O + O2
(7.5e+09 0 0)
reversibleArrheniusReaction
H + HO2 = OH + OH
(1.7e+11 0 440.292)
reversibleArrheniusReaction
O + HO2 = O2 + OH
(1.4e+10 0 539.924)
reversibleArrheniusReaction
OH + OH = O + H2O
(600000 1.3 0)
reversiblethirdBodyArrheniusReaction
H + H = H2
((1e+12 -1 0) (1 CO2 0 H2 0 H2O 0))
reversibleArrheniusReaction
H + H + H2 = H2 + H2
(9.2e+10 -0.6 0)
reversibleArrheniusReaction
H + H + H2O = H2 + H2O
(6e+13 -1.25 0)
reversibleArrheniusReaction
H + H + CO2 = H2 + CO2
(5.49e+14 -2 0)
reversiblethirdBodyArrheniusReaction
H + OH = H2O
((1.6e+16 -2 0) (1))
reversiblethirdBodyArrheniusReaction
H + O = OH
((6.2e+10 -0.6 0) (1))
reversiblethirdBodyArrheniusReaction
O + O = O2
((1.89e+07 0 -899.706) (1))
reversibleArrheniusReaction
H + HO2 = H2 + O2
(1.25e+10 0 0)
reversibleArrheniusReaction
HO2 + HO2 = H2O2 + O2
(2e+09 0 0)
reversibleArrheniusTroeFallOffReaction
OH + OH = H2O2
((4.3e+12 -0.9 -855.425) (7.6e+10 -0.37 0) (0.7346 94 1756 5182) (1 N2 0.7 CO 1.5 CO2 2 H2 2 H2O 6 CH4 2 C2H6 3))
reversibleArrheniusReaction
H2O2 + H = HO2 + H2
(1.6e+09 0 1912.13)
reversibleArrheniusReaction
H2O2 + OH = H2O + HO2
(1e+10 0 905.744)
reversibleArrheniusReaction
H2O2 + H = H2O + OH
(1e+10 0 1806.46)
reversibleArrheniusReaction
H2O2 + O = H2O + O2
(8.4e+08 0 2143.59)
reversibleArrheniusReaction
H2O2 + O = OH + HO2
(2e+10 0 2968.83)
reversibleArrheniusReaction
H2 + HO2 = H2O + OH
(6.5e+08 0 9460)
reversibleArrheniusReaction
CO2 + N = NO + CO
(1.9e+08 0 1710.85)
reversibleArrheniusReaction
N2O + O = N2 + O2
(1.4e+09 0 5439.5)
reversibleArrheniusReaction
N2O + O = NO + NO
(2.9e+10 0 11648.9)
reversibleArrheniusReaction
N2O + H = N2 + OH
(4.4e+11 0 9500.25)
reversibleArrheniusReaction
N2O + OH = N2 + HO2
(2e+09 0 10597.2)
reversiblethirdBodyArrheniusReaction
N2O = N2 + O
((1.3e+08 0 30000.3) (1))
reversibleArrheniusReaction
N + NO = N2 + O
(3.27e+09 0.3 0)
reversibleArrheniusReaction
N + O2 = NO + O
(6.4e+06 1 3160.04)
reversibleArrheniusReaction
N + OH = NO + H
(7.333e+10 0 563.574)
reversibleArrheniusReaction
CH2O + O2 = HCO + HO2
(6.2e+10 0 19624.5)
reversibleArrheniusReaction
CH2O + O = HCO + OH
(4.1e+08 0.57 1388.81)
reversibleArrheniusReaction
CH2O + H = HCO + H2
(219000 1.8 1509.57)
reversibleArrheniusReaction
CH2O + OH = HCO + H2O
(2.43e+07 1.18 -224.926)
reversibleArrheniusReaction
CH2O + HO2 = HCO + H2O2
(3e+09 0 4025.53)
reversiblethirdBodyArrheniusReaction
CH2O = CO + H2
((6.25e+12 0 34991.9) (1))
reversiblethirdBodyArrheniusReaction
CH2O = HCO + H
((3.3e+13 0 40758.5) (1))
reversibleArrheniusReaction
HCO + HCO = CH2O + CO
(3.01e+10 0 0)
reversibleArrheniusReaction
HCO + OH = H2O + CO
(1e+11 0 0)
reversibleArrheniusReaction
HCO + H = H2 + CO
(1.19e+10 0.3 0)
reversibleArrheniusReaction
HCO + O = OH + CO
(3e+10 0 0)
reversibleArrheniusReaction
HCO + O = H + CO2
(3e+10 0 0)
reversibleArrheniusReaction
HCO + O2 = HO2 + CO
(3.3e+10 -0.4 0)
reversiblethirdBodyArrheniusReaction
HCO = H + CO
((1.87e+14 -1 8554.25) (1))
reversibleArrheniusReaction
HCO + HO2 = CO2 + OH + H
(3e+10 0 0)
reversibleArrheniusReaction
CH4 + O2 = CH3 + HO2
(7.9e+10 0 28178.7)
reversibleArrheniusReaction
CH4 + H = CH3 + H2
(660000 1.6 5454.59)
reversibleArrheniusReaction
CH4 + OH = CH3 + H2O
(1600 2.1 1237.85)
reversibleArrheniusReaction
CH4 + O = CH3 + OH
(1.02e+06 1.5 4329.46)
reversibleArrheniusReaction
CH4 + HO2 = CH3 + H2O2
(1e+10 0 9409.68)
reversibleArrheniusReaction
CH4 + CH2 = CH3 + CH3
(4e+09 0 -286.819)
reversibleArrheniusReaction
CH3 + CH2O = CH4 + HCO
(5.5 2.8 3019.15)
reversibleArrheniusReaction
CH3 + HCO = CH4 + CO
(1.2e+11 0 0)
reversibleArrheniusReaction
CH3 + H = CH4
(1.9e+33 -7 4553.88)
reversibleArrheniusReaction
CH3 + H = CH2 + H2
(9e+10 0 7598.19)
reversibleArrheniusReaction
CH3 + CH3O = CH4 + CH2O
(3.3e+11 0 0)
reversibleArrheniusTroeFallOffReaction
CH3 + CH3 = C2H6
((1.77e+44 -9.67 3129.85) (2.12e+13 -0.97 311.979) (0.5325 151 1038 4970) (1 N2 0.7 CO 1.5 CO2 2 H2 2 H2O 6 CH4 2 C2H6 3))
reversibleArrheniusReaction
CH3 + CH3 = C2H5 + H
(4.99e+09 0.1 5333.83)
reversibleArrheniusReaction
CH2 + OH = CH2O + H
(2.5e+10 0 0)
reversibleArrheniusReaction
CH2 + O2 = HCO + OH
(4.3e+07 0 -251.596)
reversibleArrheniusReaction
CH2 + O2 = CO2 + H2
(6.9e+08 0 251.596)
reversibleArrheniusReaction
CH2 + O2 = CO + H2O
(2e+07 0 -503.191)
reversibleArrheniusReaction
CH2 + O2 = CH2O + O
(5e+10 0 4528.72)
reversibleArrheniusReaction
CH2 + O2 = CO2 + H + H
(1.6e+09 0 503.191)
reversibleArrheniusReaction
CH2 + O2 = CO + OH + H
(8.6e+07 0 -251.596)
reversibleArrheniusReaction
CH2 + CH2 = C2H2 + H2
(1.2e+10 0 402.553)
reversibleArrheniusReaction
CH2 + CH2 = C2H2 + H + H
(1.2e+11 0 402.553)
reversibleArrheniusReaction
CH2 + CO2 = CH2O + CO
(1e+08 0 503.191)
reversibleArrheniusReaction
CH3 + HCO = CH2O + CH2
(3e+10 0 0)
reversibleArrheniusReaction
CH3 + C2H4 = CH4 + C2H3
(0.00662 3.7 4771.26)
reversibleArrheniusReaction
CH3 + CH3 = C2H4 + H2
(1e+12 0 15598.9)
reversibleArrheniusReaction
CH3 + CH2 = C2H4 + H
(3e+10 0 -286.819)
reversibleArrheniusReaction
C2H4 + H = C2H3 + H2
(1.1e+11 0 4277.13)
reversibleArrheniusReaction
C2H4 + O = CH3 + HCO
(1.6e+06 1.2 375.381)
reversibleArrheniusReaction
C2H4 + O = CH2O + CH2
(30 1.88 90.5744)
reversibleArrheniusReaction
C2H4 + O = C2H3 + OH
(15100 1.91 1907.09)
reversibleArrheniusReaction
C2H4 + OH = CH2O + CH3
(6e+10 0 483.064)
reversibleArrheniusReaction
C2H4 + HO2 = C2H3 + H2O2
(7.1e+08 0 8609.6)
reversibleArrheniusReaction
C2H4 + OH = C2H3 + H2O
(6.02e+10 0 2996.5)
reversiblethirdBodyArrheniusReaction
C2H4 = C2H2 + H2
((1.5e+12 0 28078.1) (1))
reversiblethirdBodyArrheniusReaction
C2H4 = C2H3 + H
((2.6e+14 0 48593.2) (1))
reversibleArrheniusReaction
C2H4 + H = C2H5
(2.6e+40 -9.25 26457.8)
reversibleArrheniusReaction
C2H6 + O2 = C2H5 + HO2
(1e+10 0 24636.2)
reversibleArrheniusReaction
C2H5 + O2 = C2H4 + HO2
(2e+07 0 -1107.02)
reversibleArrheniusReaction
C2H4 + O2 = C2H3 + HO2
(4.2e+11 0 28978.8)
reversibleArrheniusReaction
C2H4 + C2H4 = C2H5 + C2H3
(5e+11 0 32556.5)
reversibleArrheniusReaction
C2H5 + HO2 = C2H4 + H2O2
(3e+08 0 0)
reversibleArrheniusReaction
C2H2 + O2 = HCO + HCO
(4e+09 0 14089.4)
reversibleArrheniusReaction
C2H2 + O = CH2 + CO
(10200 2 956.063)
reversiblethirdBodyArrheniusReaction
C2H2 + H = C2H3
((5.54e+06 0 1212.69) (1))
reversibleArrheniusReaction
C2H3 + H = C2H2 + H2
(4e+10 0 0)
reversibleArrheniusReaction
C2H3 + O2 = CH2O + HCO
(4e+09 0 -125.798)
reversibleArrheniusReaction
C2H3 + OH = C2H2 + H2O
(3e+10 0 0)
reversibleArrheniusReaction
C2H3 + CH2 = C2H2 + CH3
(3e+10 0 0)
reversibleArrheniusReaction
C2H3 + HCO = C2H4 + CO
(6.034e+10 0 0)
reversibleArrheniusReaction
C2H3 + C2H3 = C2H2 + C2H4
(1.45e+10 0 0)
reversibleArrheniusReaction
C2H3 + O = C2H2 + OH
(1e+10 0 0)
reversibleArrheniusReaction
C2H2 + OH = CH3 + CO
(4.83e-07 4 -1006.38)
reversibleArrheniusReaction
C2H2 + CH2 = C3H3 + H
(1.2e+10 0 3331.13)
reversibleArrheniusReaction
C3H3 + OH = C3H2 + H2O
(1e+10 0 0)
reversibleArrheniusReaction
C3H3 + O = CH2O + C2H
(1e+10 0 0)
reversibleArrheniusReaction
C2H3 = C2H2 + H
(4.6e+40 -8.8 23247.4)
reversibleArrheniusReaction
C2H2 = C2H + H
(2.373e+32 -5.28 65761.1)
reversibleArrheniusReaction
C2H + O2 = HCO + CO
(5e+10 0 754.787)
reversibleArrheniusReaction
C2H + H2 = H + C2H2
(490 2.5 281.787)
reversibleArrheniusReaction
C2H2 + O = C2H + OH
(4.6e+16 -1.41 14567.4)
reversibleArrheniusReaction
C2H2 + OH = C2H + H2O
(33700 2 7044.68)
reversibleArrheniusReaction
C2H2 + C2H = C4H2 + H
(9.6e+10 0 0)
reversibleArrheniusReaction
C3H4 + O = C2H3 + HCO
(3.2e+09 0 1011.41)
reversibleArrheniusReaction
C3H4 + O = C2H4 + CO
(3.2e+09 0 1011.41)
reversibleArrheniusReaction
C3H4 + O = HCCO + CH3
(6.3e+09 0 1011.41)
reversibleArrheniusReaction
C4H + H2 = H + C4H2
(490 2.5 281.787)
reversibleArrheniusReaction
C4H2 + OH = C4H + H2O
(33700 2 7044.68)
reversibleArrheniusReaction
C4H2 + O = C3H2 + CO
(2.7e+10 0 865.489)
reversibleArrheniusReaction
C3H2 + O = C2H2 + CO
(6.8e+10 0 0)
reversibleArrheniusReaction
C3H2 + OH = HCO + C2H2
(6.8e+10 0 0)
reversibleArrheniusReaction
C2H2 + C2H = C4H3
(4.5e+34 -7.68 3572.66)
reversibleArrheniusReaction
C3H2 + CH2 = C4H3 + H
(5e+10 0 0)
reversibleArrheniusReaction
C4H2 + H = C4H3
(1.1e+39 -8.72 7698.83)
reversibleArrheniusReaction
C4H3 + H = C2H2 + C2H2
(6.3e+22 -3.34 5038.96)
reversibleArrheniusReaction
C4H3 + H = C4H2 + H2
(1.5e+10 0 0)
reversibleArrheniusReaction
C4H3 + OH = C4H2 + H2O
(2.5e+09 0 0)
reversibleArrheniusReaction
C2H2 + HCCO = C3H3 + CO
(1e+08 0 1509.57)
reversibleArrheniusReaction
C3H2 + O2 = HCCO + CO + H
(5e+10 0 0)
reversibleArrheniusReaction
HCCO + O = H + CO + CO
(1e+11 0 0)
reversibleArrheniusReaction
HCCO + O2 = OH + 2CO
(3.2e+09 0 429.725)
reversibleArrheniusReaction
HCCO + CH2 = C2H3 + CO
(3e+10 0 0)
reversibleArrheniusReaction
HCCO + HCCO = C2H2 + CO + CO
(1e+10 0 0)
reversibleArrheniusReaction
C2H + OH = H + HCCO
(2e+10 0 0)
reversibleArrheniusTroeFallOffReaction
CH2 + CO = CH2CO
((2.69e+27 -5.11 3570.14) (8.1e+08 0.5 2269.39) (0.5907 275 1226 5185) (1 N2 0.7 CO 1.5 CO2 2 H2 2 H2O 6 CH4 2 C2H6 3))
reversibleArrheniusReaction
C2H2 + OH = CH2CO + H
(2.18e-07 4.5 -503.191)
reversibleArrheniusReaction
CH2CO + H = HCCO + H2
(5e+10 0 4025.53)
reversibleArrheniusReaction
CH2CO + H = CH3 + CO
(1.13e+10 0 1724.94)
reversibleArrheniusReaction
CH2CO + O = HCCO + OH
(5e+10 0 4025.53)
reversibleArrheniusReaction
CH2CO + O = CH2 + CO2
(1.75e+09 0 679.308)
reversibleArrheniusReaction
CH2CO + OH = HCCO + H2O
(7.5e+09 0 1006.38)
reversibleArrheniusReaction
C2H3 + O = CH2CO + H
(3e+10 0 0)
reversibleArrheniusReaction
C3H3 + O2 = CH2CO + HCO
(3e+07 0 1448.18)
reversibleArrheniusReaction
C4H3 + O2 = HCCO + CH2CO
(7.86e+13 -1.8 0)
reversibleArrheniusReaction
O + CH2OH = OH + CH2O
(1e+10 0 0)
reversibleArrheniusTroeFallOffReaction
H + CH2O = CH2OH
((1.27e+26 -4.82 3285.84) (5.4e+08 0.454 1811.49) (0.7187 103 1291 4160) (1 N2 0.7 CO 1.5 CO2 2 H2 2 H2O 6 CH4 2 C2H6 3))
reversibleArrheniusReaction
H + CH2OH = H2 + CH2O
(2e+10 0 0)
reversibleArrheniusReaction
H + CH2OH = OH + CH3
(1.65e+08 0.65 -142.906)
reversibleArrheniusReaction
H + CH3O = H + CH2OH
(41500 1.63 968.14)
reversibleArrheniusReaction
C2H3 + O2 = O + CH2CHO
(3.03e+08 0.29 5.5351)
reversibleArrheniusReaction
C2H3 + O2 = HO2 + C2H2
(1337 1.61 -193.225)
reversibleArrheniusReaction
O + CH3CHO = OH + CH2CHO
(2.92e+09 0 909.77)
irreversibleArrheniusReaction
O + CH3CHO = OH + CH3 + CO
(2.92e+09 0 909.77)
irreversibleArrheniusReaction
O2 + CH3CHO = HO2 + CH3 + CO
(3.01e+10 0 19699.9)
reversibleArrheniusReaction
H + CH3CHO = CH2CHO + H2
(2.05e+06 1.16 1210.17)
irreversibleArrheniusReaction
H + CH3CHO = CH3 + H2 + CO
(2.05e+06 1.16 1210.17)
irreversibleArrheniusReaction
OH + CH3CHO = CH3 + H2O + CO
(2.343e+07 0.73 -560.052)
irreversibleArrheniusReaction
HO2 + CH3CHO = CH3 + H2O2 + CO
(3.01e+09 0 5999.55)
irreversibleArrheniusReaction
CH3 + CH3CHO = CH3 + CH4 + CO
(2720 1.77 2978.89)
reversibleArrheniusTroeFallOffReaction
H + CH2CO = CH2CHO
((1.012e+36 -7.63 1939.3) (4.865e+08 0.422 -883.101) (0.465 201 1773 5333) (1 N2 0.7 CO 1.5 CO2 2 H2 2 H2O 6 CH4 2 C2H6 3))
irreversibleArrheniusReaction
O + CH2CHO = H + CH2 + CO2
(1.5e+11 0 0)
irreversibleArrheniusReaction
O2 + CH2CHO = OH + CO + CH2O
(1.81e+07 0 0)
irreversibleArrheniusReaction
O2 + CH2CHO = OH + 2HCO
(2.35e+07 0 0)
reversibleArrheniusReaction
H + CH2CHO = CH3 + HCO
(2.2e+10 0 0)
reversibleArrheniusReaction
H + CH2CHO = CH2CO + H2
(1.1e+10 0 0)
reversibleArrheniusReaction
OH + CH2CHO = H2O + CH2CO
(1.2e+10 0 0)
reversibleArrheniusReaction
OH + CH2CHO = HCO + CH2OH
(3.01e+10 0 0)
reversibleArrheniusTroeFallOffReaction
C3H8 = C2H5 + CH3
((2.237e+24 -2.88 33939.2) (9.9e+22 -1.6 42483.9) (1 1e-15 1500 1e+15) (1 N2 0.7 CO 1.5 CO2 2 H2 2 H2O 6 CH4 2 C2H6 3 C3H8 4))
reversibleArrheniusReaction
O + C3H8 = OH + C3H7
(193 2.68 1869.86)
reversibleArrheniusReaction
H + C3H8 = C3H7 + H2
(1020 2.34 3399.56)
reversibleArrheniusReaction
OH + C3H8 = C3H7 + H2O
(31600 1.8 469.981)
reversibleArrheniusReaction
C3H7 + H2O2 = HO2 + C3H8
(0.378 2.72 754.787)
reversibleArrheniusReaction
CH3 + C3H8 = C3H7 + CH4
(0.000903 3.65 3599.83)
reversibleArrheniusReaction
C3H8 + C2H5 = C3H7 + C2H6
(0.0009 3.65 4599.17)
reversibleArrheniusReaction
C3H8 + C2H3 = C3H7 + C2H4
(0.6 3.3 5284.51)
reversibleArrheniusTroeFallOffReaction
CH3 + C2H4 = C3H7
((3e+57 -14.6 9142.98) (2550 1.6 2868.19) (0.1894 277 8748 7891) (1 N2 0.7 CO 1.5 CO2 2 H2 2 H2O 6 CH4 2 C2H6 3 C3H8 4))
reversibleArrheniusReaction
O + C3H7 = C2H5 + CH2O
(9.64e+10 0 0)
reversibleArrheniusTroeFallOffReaction
H + C3H7 = C3H8
((4.42e+55 -13.545 5714.74) (3.613e+10 0 0) (0.315 369 3285 6667) (1 N2 0.7 CO 1.5 CO2 2 H2 2 H2O 6 CH4 2 C2H6 3))
reversibleArrheniusReaction
H + C3H7 = CH3 + C2H5
(4060 2.19 447.84)
reversibleArrheniusReaction
CH2 + C3H8 = CH3 + C3H7
(0.0015 3.46 3758.84)
reversibleArrheniusReaction
OH + C3H7 = C2H5 + CH2OH
(2.41e+10 0 0)
reversibleArrheniusReaction
HO2 + C3H7 = O2 + C3H8
(2.55e+07 0.255 -474.509)
irreversibleArrheniusReaction
HO2 + C3H7 = OH + C2H5 + CH2O
(2.41e+10 0 0)
reversibleArrheniusReaction
CH3 + C3H7 = 2C2H5
(1.927e+10 -0.32 0)
reversibleArrheniusReaction
C3H7 + CH3 = CH4 + C3H6
(1.1e+10 0 0)
reversibleArrheniusReaction
C3H6 + C2H5 = C3H5 + C2H6
(0.00223 3.5 3341.19)
reversibleArrheniusReaction
C3H6 + O = CH3 + CH3CO
(68 2.56 -568.606)
)