! GRI-Mech Version 3.0 7/30/99 CHEMKIN-II format ! See README30 file at anonymous FTP site unix.sri.com, directory gri; ! WorldWideWeb home page http://www.me.berkeley.edu/gri_mech/ or ! through http://www.gri.org , under 'Basic Research', ! for additional information, contacts, and disclaimer ELEMENTS O H C N AR END SPECIES H2 H O O2 OH H2O HO2 H2O2 C CH CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH N NH NH2 NH3 NNH NO NO2 N2O HNO CN HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 C3H8 CH2CHO CH3CHO O3 CH3CO CH3HCO CH3O2 CH3O2H HONO HONO2 NO3 CH3NO2 CH3NO H2CNO2 CH3ONO END !THERMO ! Insert GRI-Mech thermodynamics here or use in default file !END REACTIONS 2O+M<=>O2+M 1.200E+17 -1.000 .00 H2/ 2.40/ H2O/15.40/ CH4/ 2.00/ CO/ 1.75/ CO2/ 3.60/ C2H6/ 3.00/ AR/ .83/ O+H+M<=>OH+M 5.000E+17 -1.000 .00 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ O+H2<=>H+OH 3.870E+04 2.700 6260.00 O+HO2<=>OH+O2 2.000E+13 .000 .00 O+H2O2<=>OH+HO2 9.630E+06 2.000 4000.00 O+CH<=>H+CO 5.700E+13 .000 .00 O+CH2<=>H+HCO 8.000E+13 .000 .00 O+CH2(S)<=>H2+CO 1.500E+13 .000 .00 O+CH2(S)<=>H+HCO 1.500E+13 .000 .00 O+CH3<=>H+CH2O 5.060E+13 .000 .00 O+CH4<=>OH+CH3 1.020E+09 1.500 8600.00 O+CO(+M)<=>CO2(+M) 1.800E+10 .000 2385.00 LOW/ 6.020E+14 .000 3000.00/ H2/2.00/ O2/6.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/3.50/ C2H6/3.00/ AR/ .50/ O+HCO<=>OH+CO 3.000E+13 .000 .00 O+HCO<=>H+CO2 3.000E+13 .000 .00 O+CH2O<=>OH+HCO 3.900E+13 .000 3540.00 O+CH2OH<=>OH+CH2O 1.000E+13 .000 .00 O+CH3O<=>OH+CH2O 1.000E+13 .000 .00 O+CH3OH<=>OH+CH2OH 3.880E+05 2.500 3100.00 O+CH3OH<=>OH+CH3O 1.300E+05 2.500 5000.00 O+C2H<=>CH+CO 5.000E+13 .000 .00 O+C2H2<=>H+HCCO 1.350E+07 2.000 1900.00 O+C2H2<=>OH+C2H 4.600E+19 -1.410 28950.00 O+C2H2<=>CO+CH2 6.940E+06 2.000 1900.00 O+C2H3<=>H+CH2CO 3.000E+13 .000 .00 O+C2H4<=>CH3+HCO 1.250E+07 1.830 220.00 O+C2H5<=>CH3+CH2O 2.240E+13 .000 .00 O+C2H6<=>OH+C2H5 8.980E+07 1.920 5690.00 O+HCCO<=>H+2CO 1.000E+14 .000 .00 O+CH2CO<=>OH+HCCO 1.000E+13 .000 8000.00 O+CH2CO<=>CH2+CO2 1.750E+12 .000 1350.00 O2+CO<=>O+CO2 2.500E+12 .000 47800.00 O2+CH2O<=>HO2+HCO 1.000E+14 .000 40000.00 H+O2+M<=>HO2+M 2.800E+18 -.860 .00 O2/ .00/ H2O/ .00/ CO/ .75/ CO2/1.50/ C2H6/1.50/ N2/ .00/ AR/ .00/ H+2O2<=>HO2+O2 2.080E+19 -1.240 .00 H+O2+H2O<=>HO2+H2O 11.26E+18 -.760 .00 H+O2+N2<=>HO2+N2 2.600E+19 -1.240 .00 H+O2+AR<=>HO2+AR 7.000E+17 -.800 .00 H+O2<=>O+OH 2.650E+16 -.6707 17041.00 2H+M<=>H2+M 1.000E+18 -1.000 .00 H2/ .00/ H2O/ .00/ CH4/2.00/ CO2/ .00/ C2H6/3.00/ AR/ .63/ 2H+H2<=>2H2 9.000E+16 -.600 .00 2H+H2O<=>H2+H2O 6.000E+19 -1.250 .00 2H+CO2<=>H2+CO2 5.500E+20 -2.000 .00 H+OH+M<=>H2O+M 2.200E+22 -2.000 .00 H2/ .73/ H2O/3.65/ CH4/2.00/ C2H6/3.00/ AR/ .38/ H+HO2<=>O+H2O 3.970E+12 .000 671.00 H+HO2<=>O2+H2 4.480E+13 .000 1068.00 H+HO2<=>2OH 0.840E+14 .000 635.00 H+H2O2<=>HO2+H2 1.210E+07 2.000 5200.00 H+H2O2<=>OH+H2O 1.000E+13 .000 3600.00 H+CH<=>C+H2 1.650E+14 .000 .00 H+CH2(+M)<=>CH3(+M) 6.000E+14 .000 .00 LOW / 1.040E+26 -2.760 1600.00/ TROE/ .5620 91.00 5836.00 8552.00/ H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ H+CH2(S)<=>CH+H2 3.000E+13 .000 .00 H+CH3(+M)<=>CH4(+M) 13.90E+15 -.534 536.00 LOW / 2.620E+33 -4.760 2440.00/ TROE/ .7830 74.00 2941.00 6964.00 / H2/2.00/ H2O/6.00/ CH4/3.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ H+CH4<=>CH3+H2 6.600E+08 1.620 10840.00 H+HCO(+M)<=>CH2O(+M) 1.090E+12 .480 -260.00 LOW / 2.470E+24 -2.570 425.00/ TROE/ .7824 271.00 2755.00 6570.00 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ H+HCO<=>H2+CO 7.340E+13 .000 .00 H+CH2O(+M)<=>CH2OH(+M) 5.400E+11 .454 3600.00 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/ H+CH2O(+M)<=>CH3O(+M) 5.400E+11 .454 2600.00 LOW / 2.200E+30 -4.800 5560.00/ TROE/ .7580 94.00 1555.00 4200.00 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ H+CH2O<=>HCO+H2 5.740E+07 1.900 2742.00 H+CH2OH(+M)<=>CH3OH(+M) 1.055E+12 .500 86.00 LOW / 4.360E+31 -4.650 5080.00/ TROE/ .600 100.00 90000.0 10000.0 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ H+CH2OH<=>H2+CH2O 2.000E+13 .000 .00 H+CH2OH<=>OH+CH3 1.650E+11 .650 -284.00 H+CH2OH<=>CH2(S)+H2O 3.280E+13 -.090 610.00 H+CH3O(+M)<=>CH3OH(+M) 2.430E+12 .515 50.00 LOW / 4.660E+41 -7.440 14080.0/ TROE/ .700 100.00 90000.0 10000.00 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ H+CH3O<=>H+CH2OH 4.150E+07 1.630 1924.00 H+CH3O<=>H2+CH2O 2.000E+13 .000 .00 H+CH3O<=>OH+CH3 1.500E+12 .500 -110.00 H+CH3O<=>CH2(S)+H2O 2.620E+14 -.230 1070.00 H+CH3OH<=>CH2OH+H2 1.700E+07 2.100 4870.00 H+CH3OH<=>CH3O+H2 4.200E+06 2.100 4870.00 H+C2H(+M)<=>C2H2(+M) 1.000E+17 -1.000 .00 LOW / 3.750E+33 -4.800 1900.00/ TROE/ .6464 132.00 1315.00 5566.00 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ H+C2H2(+M)<=>C2H3(+M) 5.600E+12 .000 2400.00 LOW / 3.800E+40 -7.270 7220.00/ TROE/ .7507 98.50 1302.00 4167.00 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ H+C2H3(+M)<=>C2H4(+M) 6.080E+12 .270 280.00 LOW / 1.400E+30 -3.860 3320.00/ TROE/ .7820 207.50 2663.00 6095.00 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ H+C2H3<=>H2+C2H2 3.000E+13 .000 .00 H+C2H4(+M)<=>C2H5(+M) 0.540E+12 .454 1820.00 LOW / 0.600E+42 -7.620 6970.00/ TROE/ .9753 210.00 984.00 4374.00 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ H+C2H4<=>C2H3+H2 1.325E+06 2.530 12240.00 H+C2H5(+M)<=>C2H6(+M) 5.210E+17 -.990 1580.00 LOW / 1.990E+41 -7.080 6685.00/ TROE/ .8422 125.00 2219.00 6882.00 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ H+C2H5<=>H2+C2H4 2.000E+12 .000 .00 H+C2H6<=>C2H5+H2 1.150E+08 1.900 7530.00 H+HCCO<=>CH2(S)+CO 1.000E+14 .000 .00 H+CH2CO<=>HCCO+H2 5.000E+13 .000 8000.00 H+CH2CO<=>CH3+CO 1.130E+13 .000 3428.00 H+HCCOH<=>H+CH2CO 1.000E+13 .000 .00 H2+CO(+M)<=>CH2O(+M) 4.300E+07 1.500 79600.00 LOW / 5.070E+27 -3.420 84350.00/ TROE/ .9320 197.00 1540.00 10300.00 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ OH+H2<=>H+H2O 2.160E+08 1.510 3430.00 2OH(+M)<=>H2O2(+M) 7.400E+13 -.370 .00 LOW / 2.300E+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/ AR/ .70/ 2OH<=>O+H2O 3.570E+04 2.400 -2110.00 OH+HO2<=>O2+H2O 1.450E+13 .000 -500.00 DUPLICATE OH+H2O2<=>HO2+H2O 2.000E+12 .000 427.00 DUPLICATE OH+H2O2<=>HO2+H2O 1.700E+18 .000 29410.00 DUPLICATE OH+C<=>H+CO 5.000E+13 .000 .00 OH+CH<=>H+HCO 3.000E+13 .000 .00 OH+CH2<=>H+CH2O 2.000E+13 .000 .00 OH+CH2<=>CH+H2O 1.130E+07 2.000 3000.00 OH+CH2(S)<=>H+CH2O 3.000E+13 .000 .00 OH+CH3(+M)<=>CH3OH(+M) 2.790E+18 -1.430 1330.00 LOW / 4.000E+36 -5.920 3140.00/ TROE/ .4120 195.0 5900.00 6394.00/ H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ OH+CH3<=>CH2+H2O 5.600E+07 1.600 5420.00 OH+CH3<=>CH2(S)+H2O 6.440E+17 -1.340 1417.00 OH+CH4<=>CH3+H2O 1.000E+08 1.600 3120.00 OH+CO<=>H+CO2 4.760E+07 1.228 70.00 OH+HCO<=>H2O+CO 5.000E+13 .000 .00 OH+CH2O<=>HCO+H2O 3.430E+09 1.180 -447.00 OH+CH2OH<=>H2O+CH2O 5.000E+12 .000 .00 OH+CH3O<=>H2O+CH2O 5.000E+12 .000 .00 OH+CH3OH<=>CH2OH+H2O 1.440E+06 2.000 -840.00 OH+CH3OH<=>CH3O+H2O 6.300E+06 2.000 1500.00 OH+C2H<=>H+HCCO 2.000E+13 .000 .00 OH+C2H2<=>H+CH2CO 2.180E-04 4.500 -1000.00 OH+C2H2<=>H+HCCOH 5.040E+05 2.300 13500.00 OH+C2H2<=>C2H+H2O 3.370E+07 2.000 14000.00 OH+C2H2<=>CH3+CO 4.830E-04 4.000 -2000.00 OH+C2H3<=>H2O+C2H2 5.000E+12 .000 .00 OH+C2H4<=>C2H3+H2O 3.600E+06 2.000 2500.00 OH+C2H6<=>C2H5+H2O 3.540E+06 2.120 870.00 OH+CH2CO<=>HCCO+H2O 7.500E+12 .000 2000.00 2HO2<=>O2+H2O2 1.300E+11 .000 -1630.00 DUPLICATE 2HO2<=>O2+H2O2 4.200E+14 .000 12000.00 DUPLICATE HO2+CH2<=>OH+CH2O 2.000E+13 .000 .00 HO2+CH3<=>O2+CH4 1.000E+12 .000 .00 HO2+CH3<=>OH+CH3O 3.780E+13 .000 .00 HO2+CO<=>OH+CO2 1.500E+14 .000 23600.00 HO2+CH2O<=>HCO+H2O2 5.600E+06 2.000 12000.00 C+O2<=>O+CO 5.800E+13 .000 576.00 C+CH2<=>H+C2H 5.000E+13 .000 .00 C+CH3<=>H+C2H2 5.000E+13 .000 .00 CH+O2<=>O+HCO 6.710E+13 .000 .00 CH+H2<=>H+CH2 1.080E+14 .000 3110.00 CH+H2O<=>H+CH2O 5.710E+12 .000 -755.00 CH+CH2<=>H+C2H2 4.000E+13 .000 .00 CH+CH3<=>H+C2H3 3.000E+13 .000 .00 CH+CH4<=>H+C2H4 6.000E+13 .000 .00 CH+CO(+M)<=>HCCO(+M) 5.000E+13 .000 .00 LOW / 2.690E+28 -3.740 1936.00/ TROE/ .5757 237.00 1652.00 5069.00 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ CH+CO2<=>HCO+CO 1.900E+14 .000 15792.00 CH+CH2O<=>H+CH2CO 9.460E+13 .000 -515.00 CH+HCCO<=>CO+C2H2 5.000E+13 .000 .00 CH2+O2=>OH+H+CO 5.000E+12 .000 1500.00 CH2+H2<=>H+CH3 5.000E+05 2.000 7230.00 2CH2<=>H2+C2H2 1.600E+15 .000 11944.00 CH2+CH3<=>H+C2H4 4.000E+13 .000 .00 CH2+CH4<=>2CH3 2.460E+06 2.000 8270.00 CH2+CO(+M)<=>CH2CO(+M) 8.100E+11 .500 4510.00 LOW / 2.690E+33 -5.110 7095.00/ TROE/ .5907 275.00 1226.00 5185.00 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ CH2+HCCO<=>C2H3+CO 3.000E+13 .000 .00 CH2(S)+N2<=>CH2+N2 1.500E+13 .000 600.00 CH2(S)+AR<=>CH2+AR 9.000E+12 .000 600.00 CH2(S)+O2<=>H+OH+CO 2.800E+13 .000 .00 CH2(S)+O2<=>CO+H2O 1.200E+13 .000 .00 CH2(S)+H2<=>CH3+H 7.000E+13 .000 .00 CH2(S)+H2O(+M)<=>CH3OH(+M) 4.820E+17 -1.160 1145.00 LOW / 1.880E+38 -6.360 5040.00/ TROE/ .6027 208.00 3922.00 10180.0 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ CH2(S)+H2O<=>CH2+H2O 3.000E+13 .000 .00 CH2(S)+CH3<=>H+C2H4 1.200E+13 .000 -570.00 CH2(S)+CH4<=>2CH3 1.600E+13 .000 -570.00 CH2(S)+CO<=>CH2+CO 9.000E+12 .000 .00 CH2(S)+CO2<=>CH2+CO2 7.000E+12 .000 .00 CH2(S)+CO2<=>CO+CH2O 1.400E+13 .000 .00 CH2(S)+C2H6<=>CH3+C2H5 4.000E+13 .000 -550.00 CH3+O2<=>O+CH3O 3.560E+13 .000 30480.00 CH3+O2<=>OH+CH2O 2.310E+12 .000 20315.00 CH3+H2O2<=>HO2+CH4 2.450E+04 2.470 5180.00 2CH3(+M)<=>C2H6(+M) 6.770E+16 -1.180 654.00 LOW / 3.400E+41 -7.030 2762.00/ TROE/ .6190 73.20 1180.00 9999.00 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 2CH3<=>H+C2H5 6.840E+12 .100 10600.00 CH3+HCO<=>CH4+CO 2.648E+13 .000 .00 CH3+CH2O<=>HCO+CH4 3.320E+03 2.810 5860.00 CH3+CH3OH<=>CH2OH+CH4 3.000E+07 1.500 9940.00 CH3+CH3OH<=>CH3O+CH4 1.000E+07 1.500 9940.00 CH3+C2H4<=>C2H3+CH4 2.270E+05 2.000 9200.00 CH3+C2H6<=>C2H5+CH4 6.140E+06 1.740 10450.00 HCO+H2O<=>H+CO+H2O 1.500E+18 -1.000 17000.00 HCO+M<=>H+CO+M 1.870E+17 -1.000 17000.00 H2/2.00/ H2O/ .00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ HCO+O2<=>HO2+CO 13.45E+12 .000 400.00 CH2OH+O2<=>HO2+CH2O 1.800E+13 .000 900.00 CH3O+O2<=>HO2+CH2O 4.280E-13 7.600 -3530.00 C2H+O2<=>HCO+CO 1.000E+13 .000 -755.00 C2H+H2<=>H+C2H2 5.680E+10 0.900 1993.00 C2H3+O2<=>HCO+CH2O 4.580E+16 -1.390 1015.00 C2H4(+M)<=>H2+C2H2(+M) 8.000E+12 .440 86770.00 LOW / 1.580E+51 -9.300 97800.00/ TROE/ .7345 180.00 1035.00 5417.00 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ C2H5+O2<=>HO2+C2H4 8.400E+11 .000 3875.00 HCCO+O2<=>OH+2CO 3.200E+12 .000 854.00 2HCCO<=>2CO+C2H2 1.000E+13 .000 .00 N+NO<=>N2+O 2.700E+13 .000 355.00 N+O2<=>NO+O 9.000E+09 1.000 6500.00 N+OH<=>NO+H 3.360E+13 .000 385.00 N2O+O<=>N2+O2 1.400E+12 .000 10810.00 N2O+O<=>2NO 2.900E+13 .000 23150.00 N2O+H<=>N2+OH 3.870E+14 .000 18880.00 N2O+OH<=>N2+HO2 2.000E+12 .000 21060.00 N2O(+M)<=>N2+O(+M) 7.910E+10 .000 56020.00 LOW / 6.370E+14 .000 56640.00/ H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .625/ HO2+NO<=>NO2+OH 2.110E+12 .000 -480.00 NO+O+M<=>NO2+M 1.060E+20 -1.410 .00 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ NO2+O<=>NO+O2 3.900E+12 .000 -240.00 NO2+H<=>NO+OH 1.320E+14 .000 360.00 NH+O<=>NO+H 4.000E+13 .000 .00 NH+H<=>N+H2 3.200E+13 .000 330.00 NH+OH<=>HNO+H 2.000E+13 .000 .00 NH+OH<=>N+H2O 2.000E+09 1.200 .00 NH+O2<=>HNO+O 4.610E+05 2.000 6500.00 NH+O2<=>NO+OH 1.280E+06 1.500 100.00 NH+N<=>N2+H 1.500E+13 .000 .00 NH+H2O<=>HNO+H2 2.000E+13 .000 13850.00 NH+NO<=>N2+OH 2.160E+13 -.230 .00 NH+NO<=>N2O+H 3.650E+14 -.450 .00 NH2+O<=>OH+NH 3.000E+12 .000 .00 NH2+O<=>H+HNO 3.900E+13 .000 .00 NH2+H<=>NH+H2 4.000E+13 .000 3650.00 NH2+OH<=>NH+H2O 9.000E+07 1.500 -460.00 NNH<=>N2+H 3.300E+08 .000 .00 NNH+M<=>N2+H+M 1.300E+14 -.110 4980.00 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ NNH+O2<=>HO2+N2 5.000E+12 .000 .00 NNH+O<=>OH+N2 2.500E+13 .000 .00 NNH+O<=>NH+NO 7.000E+13 .000 .00 NNH+H<=>H2+N2 5.000E+13 .000 .00 NNH+OH<=>H2O+N2 2.000E+13 .000 .00 NNH+CH3<=>CH4+N2 2.500E+13 .000 .00 H+NO+M<=>HNO+M 4.480E+19 -1.320 740.00 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ HNO+O<=>NO+OH 2.500E+13 .000 .00 HNO+H<=>H2+NO 9.000E+11 .720 660.00 HNO+OH<=>NO+H2O 1.300E+07 1.900 -950.00 HNO+O2<=>HO2+NO 1.000E+13 .000 13000.00 CN+O<=>CO+N 7.700E+13 .000 .00 CN+OH<=>NCO+H 4.000E+13 .000 .00 CN+H2O<=>HCN+OH 8.000E+12 .000 7460.00 CN+O2<=>NCO+O 6.140E+12 .000 -440.00 CN+H2<=>HCN+H 2.950E+05 2.450 2240.00 NCO+O<=>NO+CO 2.350E+13 .000 .00 NCO+H<=>NH+CO 5.400E+13 .000 .00 NCO+OH<=>NO+H+CO 0.250E+13 .000 .00 NCO+N<=>N2+CO 2.000E+13 .000 .00 NCO+O2<=>NO+CO2 2.000E+12 .000 20000.00 NCO+M<=>N+CO+M 3.100E+14 .000 54050.00 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ NCO+NO<=>N2O+CO 1.900E+17 -1.520 740.00 NCO+NO<=>N2+CO2 3.800E+18 -2.000 800.00 HCN+M<=>H+CN+M 1.040E+29 -3.300 126600.00 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ HCN+O<=>NCO+H 2.030E+04 2.640 4980.00 HCN+O<=>NH+CO 5.070E+03 2.640 4980.00 HCN+O<=>CN+OH 3.910E+09 1.580 26600.00 HCN+OH<=>HOCN+H 1.100E+06 2.030 13370.00 HCN+OH<=>HNCO+H 4.400E+03 2.260 6400.00 HCN+OH<=>NH2+CO 1.600E+02 2.560 9000.00 H+HCN(+M)<=>H2CN(+M) 3.300E+13 .000 .00 LOW / 1.400E+26 -3.400 1900.00/ H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ H2CN+N<=>N2+CH2 6.000E+13 .000 400.00 C+N2<=>CN+N 6.300E+13 .000 46020.00 CH+N2<=>HCN+N 3.120E+09 0.880 20130.00 CH+N2(+M)<=>HCNN(+M) 3.100E+12 .150 .00 LOW / 1.300E+25 -3.160 740.00/ TROE/ .6670 235.00 2117.00 4536.00 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ 1.0/ CH2+N2<=>HCN+NH 1.000E+13 .000 74000.00 CH2(S)+N2<=>NH+HCN 1.000E+11 .000 65000.00 C+NO<=>CN+O 1.900E+13 .000 .00 C+NO<=>CO+N 2.900E+13 .000 .00 CH+NO<=>HCN+O 4.100E+13 .000 .00 CH+NO<=>H+NCO 1.620E+13 .000 .00 CH+NO<=>N+HCO 2.460E+13 .000 .00 CH2+NO<=>H+HNCO 3.100E+17 -1.380 1270.00 CH2+NO<=>OH+HCN 2.900E+14 -.690 760.00 CH2+NO<=>H+HCNO 3.800E+13 -.360 580.00 CH2(S)+NO<=>H+HNCO 3.100E+17 -1.380 1270.00 CH2(S)+NO<=>OH+HCN 2.900E+14 -.690 760.00 CH2(S)+NO<=>H+HCNO 3.800E+13 -.360 580.00 CH3+NO<=>HCN+H2O 9.600E+13 .000 28800.00 CH3+NO<=>H2CN+OH 1.000E+12 .000 21750.00 HCNN+O<=>CO+H+N2 2.200E+13 .000 .00 HCNN+O<=>HCN+NO 2.000E+12 .000 .00 HCNN+O2<=>O+HCO+N2 1.200E+13 .000 .00 HCNN+OH<=>H+HCO+N2 1.200E+13 .000 .00 HCNN+H<=>CH2+N2 1.000E+14 .000 .00 HNCO+O<=>NH+CO2 9.800E+07 1.410 8500.00 HNCO+O<=>HNO+CO 1.500E+08 1.570 44000.00 HNCO+O<=>NCO+OH 2.200E+06 2.110 11400.00 HNCO+H<=>NH2+CO 2.250E+07 1.700 3800.00 HNCO+H<=>H2+NCO 1.050E+05 2.500 13300.00 HNCO+OH<=>NCO+H2O 3.300E+07 1.500 3600.00 HNCO+OH<=>NH2+CO2 3.300E+06 1.500 3600.00 HNCO+M<=>NH+CO+M 1.180E+16 .000 84720.00 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ HCNO+H<=>H+HNCO 2.100E+15 -.690 2850.00 HCNO+H<=>OH+HCN 2.700E+11 .180 2120.00 HCNO+H<=>NH2+CO 1.700E+14 -.750 2890.00 HOCN+H<=>H+HNCO 2.000E+07 2.000 2000.00 HCCO+NO<=>HCNO+CO 0.900E+13 .000 .00 CH3+N<=>H2CN+H 6.100E+14 -.310 290.00 CH3+N<=>HCN+H2 3.700E+12 .150 -90.00 NH3+H<=>NH2+H2 5.400E+05 2.400 9915.00 NH3+OH<=>NH2+H2O 5.000E+07 1.600 955.00 NH3+O<=>NH2+OH 9.400E+06 1.940 6460.00 NH+CO2<=>HNO+CO 1.000E+13 .000 14350.00 CN+NO2<=>NCO+NO 6.160E+15 -0.752 345.00 NCO+NO2<=>N2O+CO2 3.250E+12 .000 -705.00 N+CO2<=>NO+CO 3.000E+12 .000 11300.00 O+CH3=>H+H2+CO 3.370E+13 .000 .00 O+C2H4<=>H+CH2CHO 6.700E+06 1.830 220.00 O+C2H5<=>H+CH3CHO 1.096E+14 .000 .00 OH+HO2<=>O2+H2O 0.500E+16 .000 17330.00 DUPLICATE OH+CH3=>H2+CH2O 8.000E+09 .500 -1755.00 CH+H2(+M)<=>CH3(+M) 1.970E+12 .430 -370.00 LOW/ 4.820E+25 -2.80 590.0 / TROE/ .578 122.0 2535.0 9365.0 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ CH2+O2=>2H+CO2 5.800E+12 .000 1500.00 CH2+O2<=>O+CH2O 2.400E+12 .000 1500.00 CH2+CH2=>2H+C2H2 2.000E+14 .000 10989.00 CH2(S)+H2O=>H2+CH2O 6.820E+10 .250 -935.00 C2H3+O2<=>O+CH2CHO 3.030E+11 .290 11.00 C2H3+O2<=>HO2+C2H2 1.337E+06 1.610 -384.00 O+CH3CHO<=>OH+CH2CHO 2.920E+12 .000 1808.00 O+CH3CHO=>OH+CH3+CO 2.920E+12 .000 1808.00 O2+CH3CHO=>HO2+CH3+CO 3.010E+13 .000 39150.00 H+CH3CHO<=>CH2CHO+H2 2.050E+09 1.160 2405.00 H+CH3CHO=>CH3+H2+CO 2.050E+09 1.160 2405.00 OH+CH3CHO=>CH3+H2O+CO 2.343E+10 0.730 -1113.00 HO2+CH3CHO=>CH3+H2O2+CO 3.010E+12 .000 11923.00 CH3+CH3CHO=>CH3+CH4+CO 2.720E+06 1.770 5920.00 H+CH2CO(+M)<=>CH2CHO(+M) 4.865E+11 0.422 -1755.00 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/ AR/ .70/ O+CH2CHO=>H+CH2+CO2 1.500E+14 .000 .00 O2+CH2CHO=>OH+CO+CH2O 1.810E+10 .000 .00 O2+CH2CHO=>OH+2HCO 2.350E+10 .000 .00 H+CH2CHO<=>CH3+HCO 2.200E+13 .000 .00 H+CH2CHO<=>CH2CO+H2 1.100E+13 .000 .00 OH+CH2CHO<=>H2O+CH2CO 1.200E+13 .000 .00 OH+CH2CHO<=>HCO+CH2OH 3.010E+13 .000 .00 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 O+O2=O3 1.88E+21 -2.8 0 ! 3 O+O3=O2+O2 4.80E+12 0 4090 ! 4 O+CH2=CO+H+H 8.00E+13 0 0 ! 10 O+CH2=CH+OH 3.00E+14 0 1920 ! 11 O+CH2(S)=CO+H+H 3.00E+13 0 0 ! 14 O+C2H4=CH3CO+H 3.50E+13 0 2832 ! 31 O+C2H5=CH3HCO+H 8.02E+13 0 0 ! 32 O+CH3O2=CH3O+O2 2.59E+13 0 0 ! 38 O+CH2CO=HCO+HCO 2.29E+12 0 1351 ! 39 O+CH3HCO=OH+CH3CO 7.00E+12 0 1940 ! 40 ! !O2+C2H3=CH2O+HCO 4.00E+12 0 -250 ! 43 ! !O2+C2H3=C2H2+HO2 1.00E+12 0 0 ! 44 ! O2+C2H2=HCCO+OH 2.00E+08 1.5 30100 ! 45 O2+H2=2OH 1.70E+13 0 47780 ! 46 ! !O2+CH4=CH3+HO2 3.97E+13 0 56900 ! 47 ! O2+CH3OH=CH2OH+HO2 2.05E+13 0 44911 ! 48 O2+C2H6=HO2+C2H5 6.03E+13 0 51870 ! 49 O2+HCCO=CO2+CO+H 1.40E+09 1 0 ! 50 H+O3=OH+O2 8.43E+13 0 950 ! 51 H+CH2(S)=CH2+H 2.00E+14 0 0 ! 71 H+CH3OH=CH3+H2O 2.00E+14 0 5310 ! 90 H+CH3O2=CH3O+OH 9.64E13 0 0 ! 91 OH+O3=HO2+O2 1.14E+12 0 2000 ! 109 ! !OH+CH3=CH2O+H2 1.02E+12 0 0 ! 121 ! OH+CH2CO=HCO+CH2O 2.80E+13 0 0 ! 139 OH+CH3HCO=H2O+CH3CO 3.37E+12 0 -620 ! 140 HO2+O3=OH+O2+O2 8.43E+09 0 1200 ! 143 ! !HO2+CH4=CH3+H2O2 9.04E+12 0 24640 ! 146 ! HO2+CH3OH=H2O2+CH2OH 9.64E+10 0 12580 ! 149 HO2+CH3O2=CH3O2H+O2 2.29E+11 0 1550 ! 150 HO2+CH2OH=CH2O+H2O2 1.21E+13 0 0 ! 151 HO2+C2H6=C2H5+H2O2 1.32E+13 0 20470 ! 152 2CH2=C2H3+H 2.00E+13 0 0 ! 169 2CH2=CH3+CH 2.40E+14 0 9936 ! 170 CH2+C2H3=C2H2+CH3 3.00E+13 0 0 ! 174 CH2+O2=CO2+H2 4.38E+09 0 -5825 ! 175 CH2+O2=CO+H2O 3.73E+10 0 -5825 ! 176 ! !CH2+O2=CH2O+O 5.47E+09 0 -5825 ! 177 ! CH2(S)+C2H2=CH2+C2H2 4.00E+13 0 0 ! 191 CH2(S)=CH2 1.00E+13 0 0 ! 193 CH3+O2+M=CH3O2+M 7.80E+08 0.2 0 ! 196 CH3+O3=CH3O+O2 1.57E+12 0 0 ! 197 CH3+CH3O2=CH3O+CH3O 2.71E+13 0 0 ! 202 HCO+CH2OH=CH3OH+CO 1.21E+14 0 0 ! 209 HCO+CH2OH=CH2O+CH2O 1.81E+14 0 0 ! 210 HCO+HCO=CH2O+CO 3.01E+13 0 0 ! 211 ! !CH3O+CH4=CH3OH+CH3 1.32E+14 0 15073 ! 214 ! CH3O+CO=CH3+CO2 1.57E+13 0 11800 ! 215 CH3O+H2O2=CH3OH+HO2 1.50E+12 0 4000 ! 216 CH3O+CH3O=CH2O+CH3OH 1.80E+13 0 0 ! 217 CH3O+CH2O=HCO+CH3OH 1.00E+11 0 3000 ! 218 2CH3O2=CH3O+CH3O+O2 1.02E+11 0 0 ! 219 2CH3O2=CH2O+CH3OH+O2 4.46E+16 0 0 ! 220 CH3O2+CH4=CH3O2H+CH3 6.02E+11 0 21520 ! 221 CH3O2+CH2O=CH3O2H+HCO 2.83E+11 0 12010 ! 222 CH3O2+H2=CH3O2H+H 2.17E+12 0 22320 ! 223 CH3O2+CH3O=CH3O2H+CH2O 9.03E+11 0 0 ! 224 CH3O2+CH3OH=CH3O2H+CH2OH 3.00E+11 0 14410 ! 225 CH3O2+H2O2=CH3O2H+HO2 1.51E+11 0 13010 ! 226 CH3O2H=CH3O+OH 4.00E+15 0 43040 ! 227 HO2+NO=HONO2 2.23E+12 -3.5 2200 ! 240 NO+NO+O2=NO2+NO2 1.20E+09 0 -1050 ! 241 NO+O3=NO2+O2 1.08E+12 0 2720 ! 242 NO+CH3O=CH2O+HNO 1.22E+12 0 -390 ! 243 NO+CH3O2=CH3O+NO2 2.53E+12 0 -358 ! 244 NO+HCO=CO+HNO 7.24E+13 -0.4 0 ! 245 NO2+H=HONO 1.40E+18 -1.5 900 ! 249 NO2+H2=H+HONO 1.20E+13 0 29000 ! 250 NO2+O3=NO3+O2 7.23E+10 0 4870 ! 251 NO2+CH4=CH3+HONO 1.20E+13 0 30000 ! 252 NO2+CH3=CH3O+NO 1.39E+13 0 0 ! 253 NO2+CH3=CH3NO2 5.00E+11 0 0 ! 254 NO2+CH3O=CH2O+HONO 6.02E+12 0 2285 ! 255 NO2+CH3OH=HONO+CH2OH 3.67E+11 0 21400 ! 256 NO2+CH2O=HONO+HCO 2.00E+11 0 16060 ! 257 NO2+HCO=CO+HONO 1.70E+13 0 0 ! 258 NO2+CO=CO2+NO 8.91E+13 0 33800 ! 259 NO2+CH3HCO=CH3CO+HONO 2.51E+10 0 12400 ! 260 NO3+OH=HO2+NO2 1.38E+13 0 0 ! 261 NO3+O=O2+NO2 1.02E+13 0 0 ! 262 NO3+H=NO2+OH 6.00E+13 0 0 ! 263 NO3+HO2=O2+HONO2 5.60E+11 0 0 ! 264 NO3+HO2=O2+NO2+OH 2.00E+12 0 0 ! 265 NO3+NO3=NO2+NO2+O2 5.12E+11 0 4840 ! 266 NO3=O2+NO 2.05E+08 1 12122 ! 267 NO3+NO2=NO+NO2+O2 3.25E+10 0 2960 ! 268 NO3+NO=NO2+NO2 1.08E+13 0 -219 ! 269 HNO+HNO=H2O+N2O 9.00E+08 0 3080 ! 270 HONO+OH=H2O+NO2 1.69E+12 0 -517 ! 276 HONO+HONO=H2O+NO2+NO 2.30E+12 0 8350 ! 277 HONO+O=OH+NO2 1.00E+12 0 0 ! 278 HONO2+OH=H2O+NO3 1.03E+10 0 -1240 ! 279 CH3NO2+H=H2CNO2+H2 7.50E+12 0 10000 ! 280 CH3NO2+O=H2CNO2+OH 1.51E+13 0 5350 ! 281 CH3NO2+OH=H2CNO2+H2O 1.49E+13 0 5740 ! 282 CH3NO2+H=HONO+CH3 3.27E+12 0 3730 ! 283 CH3NO2+H=CH3NO+OH 1.40E+12 0 3730 ! 284 CH3NO2+CH3=CH4+H2CNO2 7.08E+11 0 11140 ! 285 H2CNO2=CH2+NO2 1.00E+13 0 36000 ! 286 H2CNO2+HONO=CH3NO2+NO2 1.00E+12 0 0 ! 287 CH3NO2=CH3ONO 2.90E+14 0 67000 ! 288 END