! 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 END SPECIES H2 O2 CO2 H2O2 HO2 H2O CH4 CH3 CH2O OH CO CH3OOH CH3CHO C CH CH2 CH2(S) H O HCO CH2OH CH3O CH3OH C2H2 C2H3 C2H4 C2H6 C2H HCCO CH2CO HCCOH C3H7 C3H8 CH2CHO C2H5 CH3OO CH2OOH OCHO HOCO HOCHO OOCHO HOOCHO HOOCO N2 N NH NH2 NH3 NNH NO NO2 N2O HNO CN HCN H2CN HCNO HOCN HNCO NCO END !THERMO ! Insert GRI-Mech thermodynamics here or use in default file !END REACTIONS O+O+M=O2+M 1.2E17 -1.0 0.0 O+H+M=OH+M 5.E17 -1.0 0.0 O+H2=H+OH 3.87E4 2.7 6260. O+HO2=OH+O2 2.E13 0.0 0.0 O+H2O2=OH+HO2 9.63E6 2.0 4000. O+CH=H+CO 5.7E13 0.0 0.0 O+CH2=H+HCO 8.0E13 0.0 0.0 O+CH3=H+CH2O 5.06E13 0.0 0.0 O+CH4=OH+CH3 1.02E9 1.5 8600. O+CO+M=CO2+M 1.8E10 0.0 2385. O+HCO=OH+CO 3.E13 0.0 0.0 O+HCO=H+CO2 3.E13 0.0 0.0 O+CH2O=OH+HCO 3.9E13 0.0 3540. O+CH2OH=OH+CH2O 1.E13 0.0 0.0 O+CH3O=OH+CH2O 1.E13 0.0 0.0 O+CH3OH=OH+CH2OH 3.88E5 2.5 3100. O+CH3OH=OH+CH3O 1.3E5 2.5 5000. O2+CO=O+CO2 2.5E12 0.0 47800. O2+CH2O=HO2+HCO 1.E14 0.0 40000. H+O2+M=HO2+M 2.8E18 -0.86 0.0 H+O2+O2=HO2+O2 2.08E19 -1.24 0.0 H+O2+H2O=HO2+H2O 11.26E18 -0.76 0.0 H+O2=O+OH 2.65E16 -0.6707 17041. H+H+M=H2+M 1.E18 -1.0 0.0 H+H+H2=H2+H2 9.E16 -0.6 0.0 H+H+H2O=H2+H2O 6.E19 -1.25 0.0 H+H+CO2=H2+CO2 5.5e20 -2.0 0.0 H+OH+M=H2O+M 2.2E22 -2.0 0.0 H+HO2=O+H2O 3.97E12 0.0 671.0 H+HO2=O2+H2 4.48E13 0.0 1068. H+HO2=OH+OH 0.84E14 0.0 635. H+H2O2=HO2+H2 1.21E7 2.0 5200. H+H2O2=OH+H2O 1.E13 0.0 3600. H+CH=C+H2 1.65E14 0.0 0.0 H+CH2+M=CH3+M 6.E14 0.0 0.0 H+CH2(+M)<=>CH3(+M) 6.000E+14 .000 .00 H+CH3+M=CH4+M 13.9E15 -0.534 536. H+CH4=CH3+H2 6.6E8 1.62 10840. H+HCO+M=CH2O+M 1.09E12 0.48 -260 H+HCO=H2+CO 7.34e13 0.0 0.0 H+CH2O+M=CH2OH+M 5.4E11 0.454 3600. H+CH2O+M=CH3O+M 5.4e11 0.454 2600. H+CH2O=HCO+H2 5.74E7 1.9 2742. H+CH2OH+M=CH3OH+M 1.055E12 0.5 86. H+CH2OH=H2+CH2O 2.E13 0.0 0.0 H+CH2OH=OH+CH3 1.65E11 0.65 -284 H+CH3O+M=CH3OH+M 2.43e12 0.515 50. H+CH3O=H+CH2OH 4.15e7 1.63 1924. H+CH3O=H2+CH2O 2.E13 0.0 0.0 H+CH3O=OH+CH3 1.5e12 0.5 -110 H+CH3OH=CH2OH+H2 1.70e7 2.1 4870. H+CH3OH=CH3O+H2 4.20e6 2.1 4870. H2+CO+M=CH2O+M 4.3e7 1.5 79600. OH+H2=H+H2O 2.16e8 1.51 3430. OH+OH+M=H2O2+M 7.4e13 -0.37 0.0 OH+OH=O+H2O 3.57e4 2.4 -2110 OH+HO2=O2+H2O 1.45e13 0.0 -500 OH+H2O2=HO2+H2O 2.00e12 0.0 427. OH+C=H+CO 5.00e13 0.0 0.0 OH+CH=H+HCO 3.00e13 0.0 0.0 OH+CH2=H+CH2O 2.00e13 0.0 0.0 OH+CH2=CH+H2O 1.13e7 2.0 3000.00 OH+CH3+M=CH3OH+M 2.79e18 -1.43 1330.00 OH+CH3=CH2+H2O 5.60e7 1.6 5420.000 OH+CH4=CH3+H2O 1.0e8 1.6 3120.000 OH+CO=H+CO2 4.76e7 1.228 70.0000 OH+HCO=H2O+CO 5.00e13 0.0 0.0 OH+CH2O=HCO+H2O 3.43E9 1.18 -447 OH+CH2OH=H2O+CH2O 5.00e12 0.0 0.0 OH+CH3O=H2O+CH2O 5.0e12 0.0 0.0 OH+CH3OH=CH2OH+H2O 1.44e6 2.0 -840 OH+CH3OH=CH3O+H2O 6.3E6 2.0 1500. HO2+HO2=O2+H2O2 1.3E11 0.0 -1630 HO2+CH2=OH+CH2O 2.E13 0.0 0.0 HO2+CH3=O2+CH4 1.E12 0.0 0.0 HO2+CH3=OH+CH3O 3.78E13 0.0 0.0 HO2+CO=OH+CO2 1.5E14 0.0 23600. HO2+CH2O=HCO+H2O2 5.6E6 2.0 12000. C+O2=O+CO 5.8E13 0.0 576. CH+O2=O+HCO 6.71E13 0.0 0.0 CH+H2=H+CH2 1.08E14 0.0 3110. CH+H2O=H+CH2O 5.71E12 0.0 -755 CH+CO2=HCO+CO 1.9E14 0.0 15792. CH2+O2=OH+H+CO 5.E12 0.0 1500. CH2+H2=H+CH3 5.e5 2.0 7230. CH2+CH4=CH3+CH3 2.46e6 2.0 8270. CH3+O2=O+CH3O 3.56E13 0.0 30480. CH3+O2=OH+CH2O 2.31E12 0.0 20315. CH3+H2O2=HO2+CH4 2.45E4 2.47 5180. CH3+HCO=CH4+CO 2.648E13 0.0 0.0 CH3+CH2O=HCO+CH4 3.32e3 2.81 5860. CH3+CH3OH=CH2OH+CH4 3.E7 1.5 9940. CH3+CH3OH=CH3O+CH4 1.E7 1.5 9940. HCO+H2O=H+CO+H2O 1.5E18 -1.0 17000. HCO+M=H+CO+M 1.87E17 -1.0 17000. HCO+O2=HO2+CO 13.45E12 0.0 400. CH2OH+O2=HO2+CH2O 1.8E13 0.0 900. CH3O+O2=HO2+CH2O 1.8E13 0.0 900. O+CH3=H+H2+CO 3.37E13 0.0 0.0 OH+CH3=H2+CH2O 8.E9 0.5 -1755 CH+H2+M=CH3+M 1.97E12 0.43 -370 CH2+O2=H+H+CO2 5.8E12 0.0 1500. CH2+O2=O+CH2O 2.4E12 0.0 1500. OH+HCO=H+OCHO 3.02e13 0.0 0.0 H+HOCHO=H2+OCHO 10.E13 0.0 0.0 OH+OOCHO=HO2+OCHO 1.82e11 0.0 0.0 HO2+HOOCHO=H2O2+OOCHO 1.51e12 0.0 0.0 H+HOOCHO=H2+HOOCO 1.e14 0.0 0.0 HO2+CH3O=OH+CH3OO 2.e13 0.0 0.0 CH3OOH+HO2=H2O2+CH3OO 2.e13 0.0 0.0 CH3OOH+H=H2+CH2OOH 2.e13 0.0 0.0 HCO+O2+M=OOCHO+M 10E13 0.0 8000. !A 13.3->13 to run the code CH2O+OOCHO=HOOCHO+HCO 10E13 0.0 5000. OH+OCHO+M=HOOCHO+M 9.120108E14 0.0 -5.07e3 OH+OCHO=H2O+CO2 5.E12 0.0 0.0 H+HOCHO=H2+HOCO 10E13 0.0 0.0 CH3OH+H=CH3+H2O 5.20E12 0.0 5.340e3 HO2+CH3OH=CH2OH+H2O2 6.30E12 0.0 1.936e4 CH3OH+CH3O=CH2OH+CH3OH 1.51E12 0.0 7.000e3 CH3OH+CH2O=CH3O+CH3O 1.533E12 0.0 7.957e4 CH2+O2=CO2+H2 6.90e11 0.0 500.000 CH2+O=CO+H+H 5.00e13 0.0 0.0 CH2+O=CO+H2 3.00e13 0.0 0.0 CH2+CO2=CH2O+CO 1.10e11 0.0 1000.00 HCO+HO2=H2O2+CO 10.E13 0.0 12.0E3 CH3OH+O2=HO2+CH2OH 10.E13 0.0 45200. CH3OH+O2=HO2+CH3O 10.E13 0.0 45200. CH3+O2+M=CH3OO+M 1.10E+12 0.0 0.0 CH3O+OH+M=CH3OOH+M 2.40E+11 0.5 50. CH3OO+CH4=CH3OOH+CH3 4.30E+07 1.5 15000. CH3OO+HO2=CH3OOH+O2 2.00E+06 2.1 4870. OOCHO+CH4=HOOCHO+CH3 4.30E+07 1.5 15000. OOCHO+HO2=HOOCHO+O2 2.00E+06 2.1 4870. CH3OO+CH3=CH3O+CH3O 9.000E+12 0.0 -1.200E+03 ! !CH3+HO2=CH2+H2O2 10.E13 0.0 0.0 !CH2+HO2=CH+H2O2 10.E13 0.0 0.0 !CH+HO2=C+H2O2 10.E13 0.0 0.0 ! !CH +OH=C +H2O 10.E13 0.0 0.0 O+CH2(S)<=>H2+CO 1.500E+13 .000 .00 O+CH2(S)<=>H+HCO 1.500E+13 .000 .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 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/ 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/ 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/ 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+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<=>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<=>CH2(S)+H2O 2.620E+14 -.230 1070.00 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/ 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/ 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/ 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/ 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/ 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/ 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/ 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(S)+H2O 6.440E+17 -1.340 1417.00 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 C+CH2<=>H+C2H 5.000E+13 .000 .00 C+CH3<=>H+C2H2 5.000E+13 .000 .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/ CH+CH2O<=>H+CH2CO 9.460E+13 .000 -515.00 CH+HCCO<=>CO+C2H2 5.000E+13 .000 .00 2CH2<=>H2+C2H2 1.600E+15 .000 11944.00 CH2+CH3<=>H+C2H4 4.000E+13 .000 .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/ 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 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/ 2CH3<=>H+C2H5 6.840E+12 .100 10600.00 CH3+C2H4<=>C2H3+CH4 2.270E+05 2.000 9200.00 CH3+C2H6<=>C2H5+CH4 6.140E+06 1.740 10450.00 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/ 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/ 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/ 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/ 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/ 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/ 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/ 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/ 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/ 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/ 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+C2H4<=>H+CH2CHO 6.700E+06 1.830 220.00 O+C2H5<=>H+CH3CHO 1.096E+14 .000 .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/ 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/ 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/ 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/ 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/ H+C3H7<=>CH3+C2H5 4.060E+06 2.190 890.00 OH+C3H7<=>C2H5+CH2OH 2.410E+13 .000 .00 !! The following 13 reactions were taken from Petersen Hanson Davidson !! these added to GRI 1.2 from the RAMEC Model !H+O2+N2<=>HO2+N2 2.600E+19 -1.240 .00 !CH3+OH<=>CH2O+H2 8.000E+12 -0.000 .00 !CH3+O2<=>CH3OO 1.700E+60 -15.10 18785.00 !C2H5O<=>CH2O+CH3 1.000E+15 -0.000 21606.00 !CH3O+HO2<=>CH2O+H2O2 1.200E+13 -0.000 .00 !CH3O+CH3<=>CH2O+CH4 2.410E+13 -0.000 .00 !CH3OOH<=>CH3O+OH 6.460E+14 -0.000 42996.00 !CH3OO+CH3<=>CH3O+CH3O 3.000E+13 -0.000 -1200.00 !CH3OO+H2O2<=>CH3OOH+HO2 2.400E+12 -0.000 9942.00 !CH3OO+CH2O<=>CH3OOH+HCO 2.000E+12 -0.000 11663.00 !CH3OO+CH4<=>CH3OOH+CH3 1.800E+11 -0.000 18475.00 !C2H5+O2<=>C2H5O2 1.000E+12 -0.000 .00 !C2H5O2+CH2O<=>C2H5O2H+HCO 2.000E+12 -0.000 11663.00 !C2H5O2H<=>C2H5O+OH 1.000E+16 -0.000 42977.00 END