! ! Mechanism for CHxCl4-x laminar flame speeds ! J.C. Leylegian, H.Wang, and C.K. Law ! Units for A are cm-mol-s-cal-K ! Units for E are cal/mol ! ELEMENTS O H C N CL AR END ! SPECIES H2 H O O2 OH H2O HO2 H2O2 C CH CH2 CH2* CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH N2 ! CL CL2 HCL CLO HOCL CH3CL CH2CL2 CH2CL CHCL2 CH2CLO CHCLO CHCL COCL2 CCLO CH2CH2CL C2H3CL CH2CCL2 C2HCL C2H5CL CH2CLCH2CL CH2CLCHCL CH3CHCL AR CHCL3 CCL3 CCL2 CH3CHCL2 CH3CCL3 CH2CLCHCL2 CH2CLCCL3 CHCL2CHCL2 CH3CCL2 CH2CHCL2 CH2CLCCL2 CHCLCHCL2 CH2CCL3 CHCLCCL3 CHCL2CCL2 CHCLCHCL C2HCL3 C2CL4 C2CL3 C2CL2 CCL4 C2HCL5 C2CL6 C2CL5 CH2CCL CHCHCL CHCCL2 CHCLCCL END ! REACTIONS ! ! (References for rate constants follow coefficients) ! 2O + M = O2 + M 1.200E+17 -1.000 0. ! a H2/2.4/ H2O/15.4/ CH4/2./ CO/1.75/ CO2/3.6/ C2H6/3./ AR/0.83/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ O + H + M = OH + M 5.000E+17 -1.000 0. ! a H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ AR/0.7/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ O + H2 = H + OH 5.000E+04 2.670 6290. ! a O + HO2 = OH + O2 2.000E+13 0.000 0. ! a O + H2O2 = OH + HO2 9.630E+06 2.000 4000. ! a O + CH = H + CO 5.700E+13 0.000 0. ! a O + CH2 = H + HCO 8.000E+13 0.000 0. ! a O + CH2* = H2 + CO 1.500E+13 0.000 0. ! a O + CH2* = H + HCO 1.500E+13 0.000 0. ! a O + CH3 = H + CH2O 8.430E+13 0.000 0. ! a O + CH4 = OH + CH3 1.020E+09 1.500 8600. ! a O + CO + M = CO2 + M 6.020E+14 0.000 3000. ! a H2/2./ O2/6./ H2O/6./ CH4/2./ CO/1.5/ CO2/3.5/ C2H6/3./ AR/0.5/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ O + HCO = OH + CO 3.000E+13 0.000 0. ! a O + HCO = H + CO2 3.000E+13 0.000 0. ! a O + CH2O = OH + HCO 3.900E+13 0.000 3540. ! a O + CH2OH = OH + CH2O 1.000E+13 0.000 0. ! a O + CH3O = OH + CH2O 1.000E+13 0.000 0. ! a O + CH3OH = OH + CH2OH 3.880E+05 2.500 3100. ! a O + CH3OH = OH + CH3O 1.300E+05 2.500 5000. ! a O + C2H = CH + CO 5.000E+13 0.000 0. ! a O + C2H2 = H + HCCO 1.020E+07 2.000 1900. ! a O + C2H2 = OH + C2H 4.600E+19 -1.410 28950. ! a O + C2H2 = CO + CH2 1.020E+07 2.000 1900. ! a O + C2H3 = H + CH2CO 3.000E+13 0.000 0. ! a O + C2H4 = CH3 + HCO 1.920E+07 1.830 220. ! a O + C2H5 = CH3 + CH2O 1.320E+14 0.000 0. ! a O + C2H6 = OH + C2H5 8.980E+07 1.920 5690. ! a O + HCCO = H + 2CO 1.000E+14 0.000 0. ! a O + CH2CO = OH + HCCO 1.000E+13 0.000 8000. ! a O + CH2CO = CH2 + CO2 1.750E+12 0.000 1350. ! a O2 + CO = O + CO2 2.500E+12 0.000 47800. ! a O2 + CH2O = HO2 + HCO 1.000E+14 0.000 40000. ! a H + O2 + M = HO2 + M 2.800E+18 -0.860 0. ! a O2/0./ H2O/0./ CO/0.75/ CO2/1.5/ C2H6/1.5/ N2/0./ AR/0./ CH3CL/1.5/ CH2CL2/3./ CHCL3/3./ H + 2O2 = HO2 + O2 1.808E+19 -1.233 23. ! =H+O2+N2*0.8 H + O2 + H2O = HO2 + H2O 1.652E+19 -0.760 0. ! a,b H + O2 + N2 = HO2 + N2 2.250E+19 -1.233 23. ! c H + O2 + AR = HO2 + AR 7.000E+17 -0.800 0. ! a H + O2 = O + OH 8.300E+13 0.000 14413. ! a 2H + M = H2 + M 1.000E+18 -1.000 0. ! a H2/0./ H2O/0./ CH4/2./ CO2/0./ C2H6/3./ AR/0.63/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ 2H + H2 = 2H2 9.000E+16 -0.600 0. ! a 2H + H2O = H2 + H2O 6.000E+19 -1.250 0. ! a 2H + CO2 = H2 + CO2 5.500E+20 -2.000 0. ! a H + OH + M = H2O + M 2.200E+22 -2.000 0. ! a H2/0.73/ H2O/3.65/ CH4/2./ C2H6/3./ AR/0.38/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ H + HO2 = O + H2O 3.970E+12 0.000 671. ! a H + HO2 = O2 + H2 2.800E+13 0.000 1068. ! a H + HO2 = 2OH 1.340E+14 0.000 635. ! a H + H2O2 = HO2 + H2 1.210E+07 2.000 5200. ! a H + H2O2 = OH + H2O 1.000E+13 0.000 3600. ! a H + CH = C + H2 1.100E+14 0.000 0. ! a H + CH2 (+M) = CH3 (+M) 2.500E+16 -0.800 0. ! a LOW / 3.200E+27 -3.140 1230./ TROE / 0.6800 78.00 1995.00 5590.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ AR/0.7/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ H + CH2* = CH + H2 3.000E+13 0.000 0. ! a H + CH3 (+M) = CH4 (+M) 1.782E+16 -0.630 383. ! a LOW / 2.484E+33 -4.760 2440./ TROE / 0.7830 74.00 2941.00 6964.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ AR/0.7/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ H + CH4 = CH3 + H2 6.600E+08 1.620 10840. ! a H + HCO (+M) = CH2O (+M) 1.090E+12 0.480 -260. ! a LOW / 1.350E+24 -2.570 1425./ TROE / 0.7824 271.00 2755.00 6570.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ AR/0.7/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ H + HCO = H2 + CO 7.340E+13 0.000 0. ! a H + CH2O (+M) = CH2OH (+M) 5.400E+11 0.454 3600. ! a LOW / 1.270E+32 -4.820 6530./ TROE / 0.7187 103.00 1291.00 4160.00 / H2/2./ H2O/6./ CH4/2./ CO/1.50/ CO2/2./ C2H6/3./ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ H + CH2O (+M) = CH3O (+M) 5.400E+11 0.454 2600. ! a LOW / 2.200E+30 -4.800 5560. / TROE / 0.7580 94.00 1555.00 4200.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ H + CH2O = HCO + H2 2.300E+10 1.050 3275. ! a H + CH2OH (+M) = CH3OH (+M) 1.800E+13 0.000 0. ! a LOW / 3.000E+31 -4.800 3300. / TROE / 0.7679 338.00 1812.00 5081.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ H + CH2OH = H2 + CH2O 2.000E+13 0.000 0. ! a H + CH2OH = OH + CH3 1.200E+13 0.000 0. ! a H + CH2OH = CH2* + H2O 6.000E+12 0.000 0. ! a H + CH3O (+M) = CH3OH (+M) 5.000E+13 0.000 0. ! a LOW / 8.600E+28 -4.000 3025. / TROE / 0.8902 144.00 2838.00 45569.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ H + CH3O = H + CH2OH 3.400E+06 1.600 0. ! a H + CH3O = H2 + CH2O 2.000E+13 0.000 0. ! a H + CH3O = OH + CH3 3.200E+13 0.000 0. ! a H + CH3O = CH2* + H2O 1.600E+13 0.000 0. ! a H + CH3OH = CH2OH + H2 1.700E+07 2.100 4870. ! a H + CH3OH = CH3O + H2 4.200E+06 2.100 4870. ! a H + C2H (+M) = C2H2 (+M) 1.000E+17 -1.000 0. ! a LOW / 3.750E+33 -4.800 1900./ TROE / 0.6464 132.00 1315.00 5566.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ AR/0.7/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ H + C2H2 (+M) = C2H3 (+M) 5.600E+12 0.000 2400. ! a LOW / 3.800E+40 -7.270 7220./ TROE / 0.7507 98.50 1302.00 4167.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ AR/0.7/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ H + C2H3 (+M) = C2H4 (+M) 6.080E+12 0.270 280. ! a LOW / 1.400E+30 -3.860 3320./ TROE / 0.7820 207.50 2663.00 6095.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ AR/0.7/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ H + C2H3 = H2 + C2H2 3.000E+13 0.000 0. ! a H + C2H4 (+M) = C2H5 (+M) 1.080E+12 0.454 1820. ! a LOW / 1.200E+42 -7.620 6970./ TROE / 0.9753 210.00 984.00 4374.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ AR/0.7/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ H + C2H4 = C2H3 + H2 1.325E+06 2.530 12240. ! a H + C2H5 (+M) = C2H6 (+M) 5.210E+17 -0.990 1580. ! a LOW / 1.990E+41 -7.080 6685./ TROE / 0.8422 125.00 2219.00 6882.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ AR/0.7/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ H + C2H5 = H2 + C2H4 2.000E+12 0.000 0. ! a H + C2H6 = C2H5 + H2 1.150E+08 1.900 7530. ! a H + HCCO = CH2* + CO 1.000E+14 0.000 0. ! a H + CH2CO = HCCO + H2 5.000E+13 0.000 8000. ! a H + CH2CO = CH3 + CO 1.130E+13 0.000 3428. ! a H + HCCOH = H + CH2CO 1.000E+13 0.000 0. ! a H2 + CO (+M) = CH2O (+M) 4.300E+07 1.500 79600. ! a LOW / 5.070E+27 -3.420 84350./ TROE / 0.9320 197.00 1540.00 10300.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ AR/0.7/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ OH + H2 = H + H2O 2.160E+08 1.510 3430. ! a 2OH (+M) = H2O2 (+M) 7.400E+13 -0.370 0. ! a LOW / 2.300E+18 -0.900 -1700./ TROE / 0.7346 94.00 1756.00 5182.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ AR/0.7/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ 2OH = O + H2O 3.570E+04 2.400 -2110. ! a OH + HO2 = O2 + H2O 4.616E+13 0.000 -500. ! a,b OH + H2O2 = HO2 + H2O 1.750E+12 0.000 320. ! a DUPLICATE OH + H2O2 = HO2 + H2O 5.800E+14 0.000 9560. ! a DUPLICATE OH + C = H + CO 5.000E+13 0.000 0. ! a OH + CH = H + HCO 3.000E+13 0.000 0. ! a OH + CH2 = H + CH2O 2.000E+13 0.000 0. ! a OH + CH2 = CH + H2O 1.130E+07 2.000 3000. ! a OH + CH2* = H + CH2O 3.000E+13 0.000 0. ! a OH + CH3 (+M) = CH3OH (+M) 6.300E+13 0.000 0. ! a LOW / 2.700E+38 -6.300 3100./ TROE / 0.2105 83.50 5398.00 8370.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ OH + CH3 = CH2 + H2O 5.600E+07 1.600 5420. ! a OH + CH3 = CH2* + H2O 2.500E+13 0.000 0. ! a OH + CH4 = CH3 + H2O 1.000E+08 1.600 3120. ! a OH + CO = H + CO2 4.760E+07 1.228 70. ! a OH + HCO = H2O + CO 5.000E+13 0.000 0. ! a OH + CH2O = HCO + H2O 3.430E+09 1.180 -447. ! a OH + CH2OH = H2O + CH2O 5.000E+12 0.000 0. ! a OH + CH3O = H2O + CH2O 5.000E+12 0.000 0. ! a OH + CH3OH = CH2OH + H2O 1.440E+06 2.000 -840. ! a OH + CH3OH = CH3O + H2O 6.300E+06 2.000 1500. ! a OH + C2H = H + HCCO 2.000E+13 0.000 0. ! a OH + C2H2 = H + CH2CO 2.180E-04 4.500 -1000. ! a OH + C2H2 = H + HCCOH 5.040E+05 2.300 13500. ! a OH + C2H2 = C2H + H2O 3.370E+07 2.000 14000. ! a OH + C2H2 = CH3 + CO 4.830E-04 4.000 -2000. ! a OH + C2H3 = H2O + C2H2 5.000E+12 0.000 0. ! a OH + C2H4 = C2H3 + H2O 3.600E+06 2.000 2500. ! a OH + C2H6 = C2H5 + H2O 3.540E+06 2.120 870. ! a OH + CH2CO = HCCO + H2O 7.500E+12 0.000 2000. ! a 2HO2 = O2 + H2O2 1.300E+11 0.000 -1630. ! a DUPLICATE 2HO2 = O2 + H2O2 4.200E+14 0.000 12000. ! a DUPLICATE HO2 + CH2 = OH + CH2O 2.000E+13 0.000 0. ! a HO2 + CH3 = O2 + CH4 1.000E+12 0.000 0. ! a HO2 + CH3 = OH + CH3O 1.333E+13 0.000 0. ! a,b HO2 + CO = OH + CO2 1.500E+14 0.000 23600. ! a HO2 + CH2O = HCO + H2O2 1.000E+12 0.000 8000. ! a C + O2 = O + CO 5.800E+13 0.000 576. ! a C + CH2 = H + C2H 5.000E+13 0.000 0. ! a C + CH3 = H + C2H2 5.000E+13 0.000 0. ! a CH + O2 = O + HCO 3.300E+13 0.000 0. ! a CH + H2 = H + CH2 1.096E+08 1.790 1670. ! a CH + H2O = H + CH2O 5.710E+12 0.000 -755. ! a CH + CH2 = H + C2H2 4.000E+13 0.000 0. ! a CH + CH3 = H + C2H3 3.000E+13 0.000 0. ! a CH + CH4 = H + C2H4 6.000E+13 0.000 0. ! a CH + CO (+M) = HCCO (+M) 5.000E+13 0.000 0. ! a LOW / 2.690E+28 -3.740 1936./ TROE / 0.5757 237.00 1652.00 5069.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ AR/0.7/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ CH + CO2 = HCO + CO 3.400E+12 0.000 690. ! a CH + CH2O = H + CH2CO 9.460E+13 0.000 -515. ! a CH + HCCO = CO + C2H2 5.000E+13 0.000 0. ! a CH2 + O2 = OH + HCO 1.320E+13 0.000 1500. ! a CH2 + H2 = H + CH3 5.000E+05 2.000 7230. ! a 2CH2 = H2 + C2H2 3.200E+13 0.000 0. ! a CH2 + CH3 = H + C2H4 4.000E+13 0.000 0. ! a CH2 + CH4 = 2CH3 2.460E+06 2.000 8270. ! a CH2 + CO (+M) = CH2CO (+M) 8.100E+11 0.500 4510. ! a LOW / 2.690E+33 -5.110 7095./ TROE / 0.5907 275.00 1226.00 5185.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ AR/0.7/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ CH2 + HCCO = C2H3 + CO 3.000E+13 0.000 0. ! a CH2* + N2 = CH2 + N2 1.500E+13 0.000 600. ! a CH2* + AR = CH2 + AR 9.000E+12 0.000 600. ! a CH2* + O2 = H + OH + CO 2.800E+13 0.000 0. ! a CH2* + O2 = CO + H2O 1.200E+13 0.000 0. ! a CH2* + H2 = CH3 + H 7.000E+13 0.000 0. ! a CH2* + H2O (+M) = CH3OH (+M) 2.000E+13 0.000 0. ! a LOW / 2.700E+38 -6.300 3100./ TROE / 0.1507 134.00 2383.00 7265.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ CH2* + H2O = CH2 + H2O 3.000E+13 0.000 0. ! a CH2* + CH3 = H + C2H4 1.200E+13 0.000 -570. ! a CH2* + CH4 = 2CH3 1.600E+13 0.000 -570. ! a CH2* + CO = CH2 + CO 9.000E+12 0.000 0. ! a CH2* + CO2 = CH2 + CO2 7.000E+12 0.000 0. ! a CH2* + CO2 = CO + CH2O 1.400E+13 0.000 0. ! a CH2* + C2H6 = CH3 + C2H5 4.000E+13 0.000 -550. ! a CH3 + O2 = O + CH3O 3.083E+13 0.000 28800. ! a,b CH3 + O2 = OH + CH2O 3.600E+10 0.000 8940. ! a CH3 + H2O2 = HO2 + CH4 2.450E+04 2.470 5180. ! a 2CH3 (+M) = C2H6 (+M) 2.120E+16 -0.970 620. ! a LOW / 1.770E+50 -9.670 6220./ TROE / 0.5325 151.00 1038.00 4970.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ AR/0.7/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ 2CH3 = H + C2H5 4.990E+12 0.100 10600. ! a CH3 + HCO = CH4 + CO 2.648E+13 0.000 0. ! a CH3 + CH2O = HCO + CH4 3.320E+03 2.810 5860. ! a CH3 + CH3OH = CH2OH + CH4 3.000E+07 1.500 9940. ! a CH3 + CH3OH = CH3O + CH4 1.000E+07 1.500 9940. ! a CH3 + C2H4 = C2H3 + CH4 2.270E+05 2.000 9200. ! a CH3 + C2H6 = C2H5 + CH4 6.140E+06 1.740 10450. ! a HCO + H2O = H + CO + H2O 3.366E+18 -1.000 17000. ! a,b HCO + M = H + CO + M 1.870E+17 -1.000 17000. ! a H2/2./ H2O/0./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ HCO + O2 = HO2 + CO 7.600E+12 0.000 400. ! a CH2OH + O2 = HO2 + CH2O 1.800E+13 0.000 900. ! a CH3O + O2 = HO2 + CH2O 4.280E-13 7.600 -3530. ! a C2H + O2 = HCO + CO 5.000E+13 0.000 1500. ! a C2H + H2 = H + C2H2 4.070E+05 2.400 200. ! a C2H3 + O2 = HCO + CH2O 3.980E+12 0.000 -240. ! a C2H4 (+M) = H2 + C2H2 (+M) 8.000E+12 0.440 88770. ! a LOW / 7.000E+50 -9.310 99860./ TROE / 0.7345 180.00 1035.00 5417.00 / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ AR/0.7/ CH3CL/3./ CH2CL2/3./ CHCL3/3./ CCL4/3./ C2H5 + O2 = HO2 + C2H4 8.400E+11 0.000 3875. ! a HCCO + O2 = OH + 2CO 1.600E+12 0.000 854. ! a 2HCCO = 2CO + C2H2 1.000E+13 0.000 0. ! a H + CL + M = HCL + M 5.300E+21 -2.000 -2000. ! b H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ CH3CL/3./ AR/0.7/ CH2CL2/3./ CHCL3/3./ CCL4/3./ CL + CL + M = CL2 + M 3.340E+14 0.000 -1800. ! d H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ CH3CL/3./ AR/0.7/ CH2CL2/3./ CHCL3/3./ CCL4/3./ CL + HO2= HCL + O2 1.080E+13 0.000 -338. ! e,f CL + HO2 = CLO + OH 2.470E+13 0.000 894. ! e,f CL + H2O2 = HCL + HO2 6.620E+12 0.000 1950. ! e,f CL + HOCL = CL2 + OH 1.810E+12 0.000 260. ! e,f CL + CH4 = CH3 + HCL 3.090E+13 0.000 3600. ! d,e CL + CH3O = HCL + CH2O 4.000E+14 0.000 0. ! g CL + CH2OH = HCL + CH2O 4.000E+14 0.000 0. ! g CL + CH2O = HCO + HCL 5.000E+13 0.000 500. ! f CL + C2H6 = C2H5 + HCL 4.370E+13 0.000 100. ! g CL + C2H4 = C2H3 + HCL 2.390E+13 0.000 8200. ! h,i CL + C2H2 = C2H + HCL 1.580E+14 0.000 30200. ! h,i CL + HCO = CO + HCL 1.000E+13 0.000 0. ! Est'd CLO + O = CL + O2 9.700E+12 0.000 507. ! j CLO + H2 = HOCL + H 6.030E+11 0.000 14100. ! e CLO + CH4 = CH3 + HOCL 6.030E+11 0.000 15000. ! e CLO + CH3 = CH3O + CL 3.330E+11 0.460 30. ! e CLO + CH3 = CH2O + HCL 3.470E+18 -1.800 2070. ! e CLO + CH3O = HOCL + CH2O 2.410E+13 0.000 0. ! e CLO + CH2O = HCO + HOCL 5.500E+03 2.810 5860. ! e CLO + CO = CL + CO2 6.030E+11 0.000 17400. ! g HOCL = CL + OH 1.760E+20 -3.010 56720. ! e HOCL = H + CLO 8.120E+14 -2.090 93690. ! e HOCL + H = HCL + OH 9.550E+13 0.000 7620. ! e HOCL + O = OH + CLO 6.030E+12 0.000 4370. ! e,f HOCL + OH = H2O + CLO 1.810E+12 0.000 990. ! e,f HOCL + CL = HCL + CLO 7.280E+12 0.000 100. ! e HCL + H = H2 + CL 1.690E+13 0.000 4135. ! k HCL + O = OH + CL 5.240E+12 0.000 6400. ! d HCL + OH = CL + H2O 2.450E+12 0.000 1100. ! d CL2 + H = HCL + CL 8.590E+13 0.000 1170. ! g CL2 + O = CL + CLO 2.510E+12 0.000 2720. ! g CH3CL = CH3 + CL 1.310E+37 -6.920 90650. ! g CH3CL = CH2* + HCL 1.100E+28 -5.150 109670. ! g CH3CL + H = CH3 + HCL 6.640E+13 0.000 7620. ! d CH3CL + CL = CH2CL + HCL 3.160E+13 0.000 3300. ! d CH3CL + O = CH2CL + OH 1.700E+13 0.000 7300. ! d CH3CL + OH = CH2CL + H2O 5.050E+08 1.380 2387. ! l CH3CL + HO2 = CH2CL + H2O2 1.000E+13 0.000 21660. ! e CH3CL + O2 = CH2CL + HO2 2.020E+13 0.000 54000. ! g CH3CL + CLO = CH2CL + HOCL 3.030E+11 0.000 10700. ! e CH3CL + CH3 = CH4 + CH2CL 3.300E+11 0.000 9400. ! d CH3CL + CH2* = C2H4 + HCL 1.600E+18 -1.470 2710. ! e CH3CL + CH2* = C2H5 + CL 3.090E+07 1.700 520. ! e CH2CL2 = CHCL + HCL 1.820E+37 -7.430 85730. ! g CH2CL2 = CH2CL + CL 1.600E+40 -7.840 83600. ! g CH2CL2 + H = CH2CL + HCL 7.000E+13 0.000 7100. ! g CH2CL2 + CL = CHCL2 + HCL 2.790E+13 0.000 2940. ! g CH2CL2 + CL = CH2CL + CL2 1.000E+14 0.000 21400. ! d CH2CL2 + O = CHCL2 + OH 6.600E+06 1.990 5670. ! m CH2CL2 + OH = CHCL2 + H2O 9.150E+07 1.580 1236. ! l CH2CL2 + O2 = CHCL2 + HO2 1.350E+13 0.000 51800. ! g CH2CL2 + HO2 = CHCL2 + H2O2 6.670E+12 0.000 18270. ! n CH2CL2 + CH3 = CH4 + CHCL2 6.760E+10 0.000 7200. ! d CH2CL2 + CH3 = CH3CL + CH2CL 1.400E+11 0.000 4900. ! g CHCL3 = CHCL2 + CL 2.650E+19 -1.880 72040. ! g,i CHCL3 = CCL2 + HCL 5.200E+12 0.000 51500. ! o CHCL3 + H = HCL + CHCL2 3.600E+12 0.000 6200. ! o CHCL3 + CL = HCL + CCL3 1.600E+13 0.000 3300. ! h CHCL3 + CL = CHCL2 + CL2 1.000E+14 0.000 21000. ! d CHCL3 + O = OH + CCL3 1.100E+13 0.220 9450. ! p CHCL3 + OH = H2O + CCL3 1.160E+04 2.780 188. ! l CHCL3 + O2 = HO2 + CCL3 1.000E+13 0.000 47200. ! g CHCL3 + HO2 = H2O2 + CCL3 4.500E+10 0.000 14200. ! g CHCL3 + CH3 = CH3CL + CHCL2 2.400E+13 0.000 12000. ! g CCL2 + CHCL3 = CHCL2 + CCL3 2.000E+12 0.000 29700. ! o CCL4 = CCL3 + CL 4.890E+32 -5.410 73395. ! o,i CCL4 + H = CCL3 + HCL 1.200E+12 0.000 5000. ! d,o CCL3 + CL2 = CCL4 + CL 4.800E+11 0.000 2500. ! d,o CCL2 + CL2 = CCL4 3.000E+13 0.000 6000. ! o CCL4 + O = CCL3 + CLO 3.000E+11 0.000 4370. ! m CCL4 + OH = CCL3 + HOCL 9.980E+27 -4.550 15590. ! f,i CH2CL + H = CH3CL 3.040E+25 -4.470 3490. ! g CH2CL + H = CH2* + HCL 9.480E+04 1.910 2600. ! g CH2CL + H = CH3 + CL 5.120E+14 -0.220 310. ! g CH2CL + O = CH2CLO 1.290E+15 -1.980 1100. ! e CH2CL + O = CH2O + CL 5.590E+13 -0.130 710. ! e CH2CL + OH = CH2O + HCL 1.240E+22 -2.720 3860. ! e CH2CL + OH = CH2OH + CL 2.000E+12 0.290 3270. ! e CH2CL + HO2 = CH2CLO + OH 1.000E+13 0.000 0. ! e CH2CL + CLO = CH2CLO + CL 4.150E+12 0.070 1110. ! e CH2CL + CLO = CHCLO + HCL 4.130E+19 -2.220 2360. ! e CH2CL + H2 = CH3CL + H 3.900E+12 0.000 14059. ! g CH2CL + O2 = CH2O + CLO 1.910E+14 -1.270 3810. ! g CH2CL + O2 = CHCLO +OH 4.000E+13 0.000 34000. ! g CH2CL + CH2O = CH3CL + HCO 2.000E+11 0.000 6000. ! g CHCL2 + H = CH2CL2 4.810E+26 -4.820 3810. ! n CHCL2 + H = CH2CL + CL 1.250E+14 -0.030 570. ! n CHCL2 + H2 = CH2CL2 + H 4.630E+12 0.000 15295. ! g CHCL2 + O = CHCLO + CL 1.000E+14 0.000 2000. ! q CHCL2 + OH = CHCLO + HCL 5.000E+12 0.000 0. ! Est'd CHCL2 + O2 = CHCLO + CLO 1.000E+13 0.000 28000. ! r CHCL2 + HO2 = CHCLO + CL + OH 1.000E+13 0.000 0. ! Est'd CCL3 + H2 = CHCL3 + H 5.010E+12 0.000 14300. ! g CCL3 + CH4 = CHCL3 + CH3 5.000E+12 0.000 14900. ! g CCL3 + H = CHCL2 + CL 8.000E+13 0.000 0. ! Est'd CCL3 + OH = COCL2 + HCL 5.000E+12 0.000 0. ! Est'd CCL3 + O = COCL2 + CL 1.400E+13 0.000 396. ! s CCL3 + O2 = COCL2 + CLO 1.900E+13 0.000 28000. ! q CCL3 + HO2 = COCL2 + CL + OH 1.000E+13 0.000 0. ! Est'd CCL2 + CL = CCL3 1.580E+13 0.000 0. ! o CCL2 + O2 = COCL2 + O 5.780E+10 0.000 4100. ! g CCL2 + H = CHCL + CL 1.000E+14 0.000 0. ! Est'd CCL2 + H = CHCL2 1.000E+14 0.000 0. ! o CCL2 + OH = CCLO + HCL 1.000E+13 0.000 0. ! Est'd CCL2 + O = CO + CL2 3.000E+13 0.000 0. ! Est'd CHCL + H = CH2 + CL 1.000E+14 0.000 0. ! =CCL2+H CHCL + O = CO + HCL 3.000E+13 0.000 0. ! p CHCL + O2 = CHCLO + O 1.500E+13 0.000 2860. ! g CHCL + O2 = CO + HOCL 1.200E+11 0.000 0. ! g CH2CLO = CHCLO + H 1.830E+27 -5.130 21170. ! g CH2CLO = CH2O + CL 4.530E+31 -6.410 22560. ! g CHCLO = HCO + CL 8.860E+29 -5.150 92920. ! g CHCLO = CO + HCL 1.100E+30 -5.190 92960. ! g CHCLO + H = HCO + HCL 8.330E+13 0.000 7400. ! g CHCLO + H = CH2O + CL 6.990E+14 -0.580 6360. ! e CHCLO + CL = CCLO + HCL 1.250E+13 0.000 500. ! g CHCLO + O = CCLO + OH 8.800E+12 0.000 3500. ! e CHCLO + OH = CCLO + H2O 7.500E+12 0.000 1200. ! e CHCLO + O2 = CCLO + HO2 4.500E+12 0.000 41800. ! g CHCLO + CLO = CCLO + HOCL 1.100E+13 0.000 500. ! g CHCLO + CH3 = CCLO + CH4 2.500E+13 0.000 6000. ! g CHCLO + CH3 = HCO + CH3CL 1.500E+13 0.000 8800. ! g COCL2 + M = CCLO + CL + M 1.200E+16 0.000 75500. ! g H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ CH3CL/3./ AR/0.7/ CH2CL2/3./ CHCL3/3./ CCL4/3./ COCL2 + H = CCLO + HCL 5.000E+13 0.000 6300. ! g COCL2 + CL = CCLO + CL2 3.200E+14 0.000 23500. ! g COCL2 + O = CCLO + CLO 2.000E+13 0.000 17000. ! g COCL2 + OH = CCLO + HOCL 1.000E+13 0.000 23300. ! g COCL2 + CH3 = CCLO + CH3CL 1.900E+13 0.000 12900. ! g CCLO = CO + CL 1.300E+14 0.000 8000. ! e CCLO + OH = CO + HOCL 3.300E+12 0.000 0. ! g CCLO + O2 = CO2 + CLO 1.000E+13 0.000 0. ! g CCLO + CL = CO + CL2 4.000E+14 0.000 800. ! g CH3 + CH2CL = C2H5CL 3.270E+40 -8.490 10590. ! e CH3 + CHCL2 = CH3CHCL2 2.280E+41 -8.680 11620. ! e CH3 + CCL3 = CH3CCL3 9.540E+46 -10.660 11740. ! g CH2CL + CH2CL = CH2CLCH2CL 7.840E+45 -10.210 13150. ! e CH2CL + CHCL2 = CH2CLCHCL2 6.410E+43 -10.220 12910. ! g CH2CL + CCL3 = CH2CLCCL3 4.010E+45 -10.150 10670. ! o CHCL2 + CHCL2 = CHCL2CHCL2 9.080E+45 -10.560 13170. ! n CHCL2 + CCL3 = C2HCL5 5.590E+09 0.000 -8000. ! o CH2CL + CCL2 = CH2CLCCL2 3.140E+08 0.000 -5600. ! o CHCL2 + CCL2 = CHCL2CCL2 1.840E+07 0.000 -6100. ! o CCL3 + CCL2 = C2CL5 4.230E+08 0.000 -5300. ! o CCL2 + CCL2 = C2CL4 6.380E+11 0.000 -2500. ! o CCL2 + CHCL3 = C2HCL5 7.390E+11 0.000 11900. ! o CH3 + CH2CL = C2H5 + CL 9.270E+19 -2.070 10130. ! e CH3 + CHCL2 = CH3CHCL + CL 2.740E+25 -3.450 12810. ! e CH3 + CCL3 = CH3CCL2 + CL 3.980E+22 -2.630 7090. ! g CH2CL + CH2CL = CH2CH2CL + CL 9.340E+29 -4.940 14070. ! g CH2CL + CCL3 = CH2CLCCL2 + CL 5.900E+23 -2.840 8960. ! g CHCL2 + CHCL2 = CHCLCHCL2 + CL 1.360E+30 -5.230 14180. ! n CH2CL + CH2 = C2H4 + CL 5.000E+12 0.000 0. ! Est'd CH2CL + CHCL = C2H3CL + CL 5.000E+12 0.000 0. ! Est'd CH2CL + CCL2 = CH2CCL2 + CL 8.010E+12 0.000 0. ! o CHCL2 + CH2 = C2H3CL + CL 5.000E+12 0.000 0. ! Est'd CHCL2 + CHCL = CHCLCHCL + CL 5.000E+12 0.000 0. ! Est'd CHCL2 + CCL2 = C2HCL3 + CL 3.160E+12 0.000 0. ! o CCL3 + CH2 = CH2CCL2 + CL 5.000E+12 0.000 0. ! Est'd CCL3 + CHCL = C2HCL3 + CL 5.000E+12 0.000 0. ! Est'd CCL3 + CCL2 = C2CL4 + CL 6.310E+12 0.000 0. ! o CH2 + CHCL = C2H3 + CL 5.000E+12 0.000 0. ! Est'd CH2 + CCL2 = CH2CCL + CL 5.000E+12 0.000 0. ! Est'd CHCL + CHCL = CHCHCL + CL 5.000E+12 0.000 0. ! Est'd CHCL + CCL2 = CHCLCCL + CL 5.000E+12 0.000 0. ! Est'd CCL2 + CCL2 = C2CL3 + CL 1.090E+14 0.000 10400. ! o CCL2 + CHCL3 = CHCL2CCL2 + CL 2.910E+14 0.000 26700. ! o CHCL2 + CCL3 = CHCL2CCL2 + CL 1.640E+12 0.000 2800. ! o CH2CL + CH3 = C2H4 + HCL 3.500E+28 -4.490 9180. ! g CH3 + CHCL2 = C2H3CL + HCL 1.350E+30 -4.960 11550. ! e CH3 + CCL3 = CH2CCL2 + HCL 1.620E+30 -5.330 8640. ! g CH2CL + CH2CL = C2H3CL + HCL 3.750E+35 -6.730 13160. ! g CH2CL + CHCL2 = CH2CCL2 + HCL 3.750E+36 -7.220 13620. ! n CH2CL + CHCL2 = CHCLCHCL + HCL 1.220E+37 -7.200 13640. ! n CH2CL + CCL3 = C2HCL3 + HCL 4.740E+30 -5.080 8810. ! g CHCL2 + CHCL2 = C2HCL3 + HCL 6.720E+35 -7.110 13210. ! e CHCL2 + CCL3 = C2CL4 + HCL 6.030E+10 0.000 700. ! o CCL2 + CHCL3 = C2CL4 + HCL 1.080E+13 0.000 24000. ! o C2H5CL = C2H4 + HCL 7.810E+19 -2.000 60660. ! g C2H5CL = C2H5 + CL 2.350E+43 -8.500 96980. ! g C2H5CL + H = C2H5 + HCL 1.000E+14 0.000 7900. ! g C2H5CL + CL = HCL + CH3CHCL 3.550E+13 0.000 1500. ! g C2H5CL + CL = HCL + CH2CH2CL 1.120E+13 0.000 1500. ! g C2H5CL + OH = H2O + CH3CHCL 5.100E+06 2.000 994. ! g C2H5CL + OH = H2O + CH2CH2CL 3.600E+06 2.000 2240. ! g CH3CHCL2 = C2H3CL + HCL 2.940E+21 -2.370 59460. ! e CH3CHCL2 = CH3CHCL + CL 3.170E+42 -8.100 92670. ! e CH3CHCL2 + H = CH3CHCL + HCL 1.000E+14 0.000 7900. ! Est'd CH3CHCL2 + CL = CH2CHCL2 + HCL 5.000E+13 0.000 1500. ! Est'd CH3CHCL2 + OH = CH2CHCL2 + H2O 3.600E+06 2.000 2240. ! =CH3CCL3+OH CH3CHCL2 + OH = CH3CCL2 + H2O 1.160E+04 2.780 188. ! =CHCL3+OH CH3CCL3 = CH2CCL2 + HCL 2.940E+21 -2.370 59460. ! =CH3CHCL2 CH3CCL3 = CH3CCL2 + CL 3.170E+42 -8.100 92670. ! =CH3CHCL2 CH3CCL3 + H = CH3CCL2 + HCL 1.000E+14 0.000 7900. ! Est'd CH3CCL3 + CL = CH2CCL3 + HCL 5.000E+13 0.000 1500. ! Est'd CH3CCL3 + OH = CH2CCL3 + H2O 3.600E+06 2.000 2240. ! t CH2CLCH2CL = C2H3CL + HCL 6.760E+19 -1.930 58710. ! e CH2CLCH2CL + H = CH2CH2CL + HCL 1.000E+14 0.000 7900. ! Est'd CH2CLCH2CL + CL = CH2CLCHCL + HCL 5.000E+13 0.000 1500. ! Est'd CH2CLCH2CL + OH = H2O + CH2CLCHCL 9.150E+07 1.580 1236. ! =CH2CL2+OH CH2CLCHCL2 = CHCLCHCL + HCL 1.390E+20 -2.030 60450. ! g CH2CLCHCL2 = CH2CCL2 + HCL 3.130E+19 -2.020 60330. ! g CH2CLCHCL2 + H = CH2CLCHCL + HCL 1.000E+14 0.000 7900. ! Est'd CH2CLCHCL2 + H = CH2CHCL2 + HCL 1.000E+14 0.000 7900. ! Est'd CH2CLCHCL2 + CL = CHCLCHCL2 + HCL 2.500E+13 0.000 1500. ! Est'd CH2CLCHCL2 + CL = CH2CLCCL2 + HCL 2.500E+13 0.000 1500. ! Est'd CH2CLCHCL2 + OH = H2O + CHCLCHCL2 9.150E+07 1.580 1236. ! =CH2CL2+OH CH2CLCHCL2 + OH = H2O + CH2CLCCL2 1.160E+04 2.780 188. ! =CHCL3+OH CH2CLCCL3 + H = CH2CCL3 + HCL 1.000E+14 0.000 7900. ! Est'd CH2CLCCL3 + H = CH2CLCCL2 + HCL 1.000E+14 0.000 7900. ! Est'd CH2CLCCL3 + CL = CHCLCCL3 + HCL 5.000E+13 0.000 1500. ! Est'd CH2CLCCL3 + OH = H2O + CHCLCCL3 9.150E+07 1.580 1236. ! =CH2CL2+OH CHCL2CHCL2 = CHCLCHCL2 + CL 2.200E+15 0.000 67600. ! o CHCL2CHCL2 = C2HCL3 + HCL 8.620E+21 -2.570 51870. ! g CHCL2CHCL2 + H = CHCLCHCL2 + HCL 3.600E+12 0.000 4200. ! o CHCL2CHCL2 + CL = CHCL2CCL2 + HCL 5.000E+13 0.000 1500. ! Est'd CHCL2CHCL2 + OH = CHCL2CCL2 + H2O 1.160E+04 2.780 188. ! =CHCL3+OH C2HCL5 = C2CL4 + HCL 2.600E+13 0.000 57100. ! o C2HCL5 = CHCL2CCL2 + CL 1.260E+25 -2.860 69610. ! o,i C2HCL5 + CL = C2CL5 + HCL 6.300E+12 0.000 3300. ! d C2HCL5 + H = CHCL2CCL2 + HCL 3.600E+12 0.000 4300. ! d C2CL6 + H = C2CL5 + HCL 7.200E+13 0.000 4300. ! =C2HCL5+H CH3CHCL (+M) = C2H3CL + H (+M) 1.940E+09 1.220 38800. ! u LOW / 1.580E+40 -6.820 43700./ TROE / 0.6702 1222. 299. / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ CH3CL/3./ AR/0.7/ CH2CL2/3./ CHCL3/3./ CCL4/3./ CH3CHCL + H = C2H4 + HCL 1.000E+14 0.000 0. ! Est'd CH3CHCL + CL = C2H3CL + HCL 2.000E+13 0.000 0. ! Est'd C2H4 + CL = CH2CH2CL 2.000E+13 0.000 3500. ! t C2H3CL + H = CH2CH2CL 5.010E+23 -4.210 8470. ! g CH2CH2CL + H = C2H4 + HCL 1.000E+14 0.000 0. ! Est'd CH2CH2CL + CL = C2H3CL + HCL 2.000E+13 0.000 0. ! Est'd CH2CLCHCL = C2H3CL + CL 1.720E+14 0.000 27300. ! t CH2CLCHCL (+M) = CHCLCHCL + H (+M) 1.940E+09 1.220 38800. ! =CH3CHCL(+M) LOW / 1.580E+40 -6.820 43700./ TROE / 0.6702 1222. 299. / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ CH3CL/3./ AR/0.7/ CH2CL2/3./ CHCL3/3./ CCL4/3./ CH2CLCHCL + H = C2H3CL + HCL 1.000E+14 0.000 0. ! Est'd CH2CLCHCL + CL = CHCLCHCL + HCL 2.000E+13 0.000 0. ! Est'd C2H3CL + CL = CH2CHCL2 2.000E+13 0.000 3500. ! =C2H4+CL CH2CHCL2 + H = C2H3CL + HCL 1.000E+14 0.000 0. ! Est'd CH2CHCL2 + CL = CH2CCL2 + HCL 1.000E+13 0.000 0. ! Est'd CH2CHCL2 + CL = CHCLCHCL + HCL 1.000E+13 0.000 0. ! Est'd CH3CCL2 (+M) = CH2CCL2 + H (+M) 1.940E+09 1.220 38800. ! =CH3CHCL(+M) LOW / 1.580E+40 -6.820 43700./ TROE / 0.6702 1222. 299. / H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ CH3CL/3./ AR/0.7/ CH2CL2/3./ CHCL3/3./ CCL4/3./ CH3CCL2 + H = C2H3CL + HCL 1.000E+14 0.000 0. ! Est'd CH3CCL2 + CL = CH2CCL2 + HCL 2.000E+13 0.000 0. ! Est'd CH2CCL3 = CH2CCL2 + CL 1.350E+14 0.000 19400. ! v CH2CCL3 + H = CH2CCL2 + HCL 1.000E+14 0.000 0. ! Est'd CH2CCL3 + CL = C2HCL3 + HCL 2.000E+13 0.000 0. ! Est'd C2HCL3 + H = CH2CLCCL2 1.510E+23 -4.180 7520. ! n CH2CCL2 + CL = CH2CLCCL2 2.000E+13 0.000 3500. ! =C2H4+CL CH2CLCCL2 + H = CH2CCL2 + HCL 5.000E+13 0.000 0. ! Est'd CH2CLCCL2 + H = CHCLCHCL + HCL 5.000E+13 0.000 0. ! Est'd CH2CLCCL2 + CL = C2HCL3 + HCL 2.000E+13 0.000 0. ! Est'd C2HCL3 + H = CHCLCHCL2 2.870E+22 -4.090 10890. ! g CHCLCHCL + CL = CHCLCHCL2 2.000E+13 0.000 3500. ! =C2H4+CL CHCLCHCL2 + H = CHCLCHCL + HCL 5.000E+13 0.000 0. ! Est'd CHCLCHCL2 + H = CH2CCL2 + HCL 5.000E+13 0.000 0. ! Est'd CHCLCHCL2 + CL = C2HCL3 + HCL 2.000E+13 0.000 0. ! Est'd C2HCL3 + CL = CHCLCCL3 2.000E+13 0.000 3500. ! =C2H4+CL CHCLCCL3 + H = C2HCL3 + HCL 1.000E+14 0.000 0. ! Est'd CHCLCCL3 + CL = C2CL4 + HCL 2.000E+13 0.000 0. ! Est'd C2CL4 + H = CHCL2CCL2 9.070E+07 0.000 2700. ! o CHCL2CCL2 = C2HCL3 + CL 2.510E+13 0.000 15500. ! v CHCL2CCL2 + H = C2HCL3 + HCL 1.000E+14 0.000 0. ! Est'd CHCL2CCL2 + CL = C2CL4 + HCL 2.000E+13 0.000 0. ! Est'd C2CL5 = C2CL4 + CL 2.510E+13 0.000 15500. ! v C2CL5 + H = C2CL4 + HCL 1.000E+14 0.000 0. ! Est'd C2H3CL = C2H2 + HCL 1.620E+28 -4.290 75780. ! e C2H3CL = C2H3 + CL 1.710E+38 -7.130 100870. ! g,i C2H3CL + H = C2H4 + CL 1.550E+13 -0.020 5840. ! g C2H3CL + H = C2H3 + HCL 1.200E+12 0.000 15000. ! e C2H3CL + O = CHCHCL + OH 4.340E+08 1.550 9400. ! w C2H3CL + O = HCO + CH2CL 2.100E+11 0.440 1300. ! i,w C2H3CL + CL = CH2CCL + HCL 1.700E+13 0.000 7000. ! x C2H3CL + CL = CHCHCL + HCL 1.700E+13 0.000 7000. ! x CL2 + C2H3 = C2H3CL + CL 5.250E+12 0.000 -480. ! g CH2CCL2 = C2HCL + HCL 1.450E+14 0.000 69220. ! e CH2CCL2 = CH2CCL + CL 7.100E+14 0.000 80600. ! o CH2CCL2 + H = CH2CCL + HCL 1.200E+13 0.000 5500. ! y CH2CCL2 + H = C2H3CL + CL 7.210E+12 0.000 7510. ! e CH2CCL2 + CL = CHCCL2 + HCL 3.330E+13 0.000 7000. ! o CH2CCL2 + H = CHCCL2 + H2 1.580E+13 0.000 6000. ! d CH2CCL2 + O = CHCCL2 + OH 2.900E+08 1.550 7400. ! w CH2CCL2 + O = HCO + CHCL2 2.700E+10 0.730 1000. ! i,w CHCLCHCL + H = C2H3CL + CL 3.440E+13 -0.030 5890. ! n CHCLCHCL = C2HCL + HCL 7.260E+13 0.000 69090. ! g CHCLCHCL + O = HCO + CHCL2 2.710E+06 1.890 475. ! w CHCLCHCL + CL = CHCLCCL + HCL 1.700E+13 0.000 7000. ! x C2HCL3 = C2CL2 + HCL 7.260E+13 0.000 74440. ! g C2HCL3 = CHCLCCL + CL 3.890E+24 -2.770 91140. ! i,o C2HCL3 = CHCCL2 + CL 7.400E+23 -2.700 90020. ! i,o C2HCL3 + H = CHCCL2 + HCL 1.200E+12 0.000 15000. ! =C2H3CL+H C2HCL3 + H = CHCLCCL + HCL 3.600E+12 0.000 9200. ! o C2HCL3 + H = CH2CCL2 + CL 1.450E+13 -0.010 5830. ! n C2HCL3 + H = CHCLCHCL + CL 7.370E+12 -0.010 9220. ! n C2HCL3 + CL = C2CL3 + HCL 1.700E+13 0.000 7000. ! o C2HCL3 + O = CCLO + CHCL2 1.320E+07 1.450 -200. ! z C2HCL3 + O = C2CL3 + OH 2.000E+09 1.550 10300. ! i,z C2CL4 = C2CL3 + CL 4.340E+26 -3.240 90180. ! i,o C2CL4 + H = C2CL3 + HCL 1.200E+12 0.000 15000. ! o C2CL4 + H = C2HCL3 + CL 1.400E+13 0.000 9200. ! o C2CL4 + O = CCLO + CCL3 1.920E+07 1.830 220. ! =C2H4+O C2CL4 + CL = C2CL3 + CL2 6.300E+14 0.000 23500. ! o CH2CCL + H = C2H2 + HCL 1.000E+14 0.000 0. ! Est'd CH2CCL + CL = C2HCL + HCL 2.000E+13 0.000 0. ! Est'd CH2CCL = C2HCL + H 6.000E+13 0.000 40600. ! o CH2CCL + O = CH2CL + CO 1.000E+13 0.000 0. ! Est'd CH2CCL + OH = C2HCL + H2O 5.000E+12 0.000 0. ! =C2H3+OH CH2CCL + O2 = CH2O + CCLO 5.000E+11 0.000 0. ! Est'd CHCLCHCL + H = CHCHCL + HCL 5.000E+12 0.000 9000. ! x C2H2 + CL = CHCHCL 1.500E+13 0.000 3000. ! Est'd CHCHCL + H = C2H2 + HCL 1.000E+14 0.000 0. ! Est'd CHCHCL + CL = C2HCL + HCL 1.000E+14 0.000 0. ! Est'd CHCHCL + O = CH2CL + CO 1.000E+13 0.000 0. ! Est'd CHCHCL + OH = C2HCL + H2O 5.000E+12 0.000 0. ! Est'd CHCHCL + OH = C2H2 + HOCL 5.000E+12 0.000 0. ! Est'd CHCHCL + O2 = HCO + CHCLO 5.000E+11 0.000 0. ! Est'd CHCCL2 = C2HCL + CL 5.720E+14 0.000 19600. ! o CHCCL2 + H = C2HCL + HCL 1.000E+14 0.000 0. ! Est'd CHCCL2 + CL = C2CL2 + HCL 2.000E+13 0.000 0. ! Est'd CHCCL2 + O = CHCL2 + CO 1.000E+13 0.000 0. ! Est'd CHCCL2 + OH = C2HCL + HOCL 5.000E+12 0.000 0. ! Est'd CHCCL2 + O2 = HCO + COCL2 5.000E+11 0.000 0. ! Est'd CHCLCCL = C2HCL + CL 2.350E+14 0.000 19200. ! o CHCLCCL + H = C2HCL + HCL 1.000E+14 0.000 0. ! Est'd CHCLCCL + CL = C2CL2 + HCL 2.000E+12 0.000 0. ! Est'd CHCLCCL + OH = C2HCL + HOCL 5.000E+12 0.000 0. ! Est'd CHCLCCL + OH = C2CL2 + H2O 5.000E+12 0.000 0. ! Est'd CHCLCCL + O2 = CCLO + CHCLO 5.000E+11 0.000 0. ! Est'd CHCLCCL + O = CO + CHCL2 1.000E+13 0.000 0. ! Est'd C2CL3 + O2 = CCLO + COCL2 3.200E+11 0.000 5000. ! q C2CL3 + O = CO + CCL3 1.000E+13 0.000 0. ! r C2CL3 + M = C2CL2 + CL + M 8.000E+14 0.000 28000. ! q H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ CH3CL/3./ AR/0.7/ CH2CL2/3./ CHCL3/3./ CCL4/3./ C2CL3 + H = C2CL2 + HCL 1.000E+14 0.000 0. ! Est'd C2HCL + H = HCL + C2H 1.000E+13 0.000 17030. ! g C2HCL + H = C2H2 + CL 2.000E+13 0.000 2100. ! g C2HCL + O = CHCL + CO 2.040E+07 2.000 1900. ! =C2H2+O C2CL2 + O2 = CCLO + CCLO 1.000E+10 0.000 5000. ! q C2CL2 + O = CO + CCL2 7.000E+13 0.000 0. ! r C2CL2 + H = C2HCL + CL 2.000E+13 0.000 2100. ! =C2HCL+H END References: a. GRI-Mech v. 1.2 - Frenklach et al. Report GRI-95/0058 (1995). b. Wang et al., Combust. Flame 105:291 (1996). c. Davidson et al., 26th Symposium, p. 481 (1996). d. Kerr and Moss, Handbook of Bimolecular and Termolecular... (1981). e. Ho et al., Combust. Sci. Technol. 85:23 (1992). f. DeMore et al., Report JPL Publication 90-1 (1990). g. Bozzelli, J.W., Personal Communication (1994). h. Weissman and Benson, Int. J. Chem. Kinet. 16:307 (1984). i. Leylegian et al., Combust. Flame in press (1998). Leylegian et al., MAE Report 3003, Princeton Univ. (1997). j. Karra and Senkan, Combust. Sci. Technol. 54:333 (1987). k. Adusei and Fontijn, J. Phys. Chem. 98:3732 (1994). l. Taylor et al., Int. J. Chem. Kin. 21:829 (1989). m. Herron, J. Phys. Chem. Ref. Data 17:967 (1988). n. Ho et al., Combust. Flame 88:265 (1992). o. Won and Bozzelli, Combust. Sci. Technol. 85:345 (1992). p. Su et al., J. Phys. Chem. 98:8411 (1994). q. Qun and Senkan, Combust. Sci. Technol. 101:103 (1994). r. Chang and Senkan, Env. Sci. Technol. 23:442 (1989). s. Seetula et al., Chem. Phys. Lett. 252:299 (1996). t. Tsang, Combust. Sci. Technol. 74:99 (1990). u. Knyazev et al., 25th Symposium, p. 817 (1994). v. Benson and Weissman, Int. J. Chem. Kinet. 14:1287 (1982). w. Hransiavljevic et al., Combust. Sci. Technol. 101:231 (1994). x. Wang et al. Combust. Flame 110:222 (1997). y. Won, Ph.D. Dissertation, NJIT (1992). z. Hranisavljevic and Fontijn, J. Phys. Chem. 99:12809 (1995).