!VERSION: AramcoMech 1.3 C4 HT Version !AUTHORS: W. K. Metcalfe, S. Burke, H. J. Curran !WEBSITE: http://c3.nuigalway.ie/ ! 1.2: HBR+H=H2+BR2 (in rev) from Yu et al. instead of Babushock or nist // reaction now reversible in MAthieu ADDITIONS !-----------------------------------------------------------------------------! ELEMENTS C H N O AR HE F BR CL END !-----------------------------------------------------------------------------! SPECIES H H2 O O2 OH OH* H2O N2 HO2 H2O2 AR CO CO2 CH2O HCO HO2CHO HCOH O2CHO HOCHO OCHO HOCH2O CH3OH CH2OH CH3O CH3O2H CH3O2 CH4 CH3 CH2 CH2(S) C CH CH* C2H6 C2H5 C2H4 C2H3 C2H2 C2H CH3CHO C2H3OH C2H2OH CH3CO CH2CHO O2CH2CHO HO2CH2CO CH2CO HCCO HCCOH CH3CO3H CH3CO3 CH3CO2 C2H5OH C2H5O PC2H4OH SC2H4OH O2C2H4OH C2H5O2H C2H5O2 C2H4O2H C2H4O1-2 C2H3O1-2 CH3COCH3 CH3COCH2 C2H3CHO C2H3CO C2H5CHO C2H5CO CH3OCH3 CH3OCH2 CH3OCH2O OCH2OCHO HOCH2OCO CH3OCHO CH3OCO CH2OCHO HE C3H8 IC3H7 NC3H7 C3H6 C3H5-A C3H5-S C3H5-T C3H4-P C3H4-A C3H3 C3H5O NC3H7O2 IC3H7O2 NC3H7O IC3H7O C3H6OH CH3CHCO AC3H5OOH C2H3OOH CC3H4 H2CC C4H10 C4H8-1 C4H8-2 PC4H9 SC4H9 C4H71-1 C4H71-2 C4H71-3 C4H71-4 C4H72-2 C4H6 PC4H9O SC4H9O C4H7O C4H8O1-2 C4H8O1-3 C4H8O1-4 C4H8O2-3 PC4H8OH SC4H8OH NC3H7CHO NC3H7CO C3H6CHO-1 C3H6CHO-2 C3H6CHO-3 C2H5CHCO SC3H5CHO SC3H5CO CH2CH2CHO IC4H10 IC4H9 TC4H9 IC4H8 IC4H7 IC4H8O CC4H8O IC4H9O TC4H9O IC4H7O IC4H8OH IC3H7CHO TC3H6CHO IC3H7CO IC3H6CHO IC4H7OH IC4H6OH IC3H5CHO IC3H5CO TC3H6OCHO IC3H6CO IC4H7OOH TC3H6OH IC3H5OH CH2CCH2OH TC4H8CHO C3H5OH C4H4 C4H3-I C4H3-N C4H612 C4H2 C4H5-I C4H5-N CH3CHCHCO CH2CHCHCHO C4H6O25 C2H3CHOCH2 C4H5-2 C4H6-2 C4H6O23 CH3CHCHCHO C4H4O H2C4O !******************************** !*** Hydrogen/Oxygen/Fluorine *** !******************************** HF F F2 !************************ !*** C1 Fluorocarbons *** !************************ CH3F CH2F2 CHF3 CF4 CH2F CHF2 CF3 CHF CF2 CF !********************************* !*** Oxidized C1 Fluorocarbons *** !********************************* CF3O CF2:O CHF:O CF:O !********************* !*** Fluoroethanes *** !********************* CH3-CH2F CH3-CHF2 CH3-CF3 CH2F-CH2F CH2F-CHF2 CH2F-CF3 CHF2-CHF2 CHF2-CF3 CF3-CF3 !********************* !*** Fluoroethyls *** !********************* CH3-CHF CH3-CF2 CH2F-CH2 CH2F-CHF CH2F-CF2 CHF2-CH2 CHF2-CHF CHF2-CF2 CF3-CH2 CF3-CHF CF3-CF2 !********************** !*** Fluoroethenes *** !********************** CH2:CHF CH2:CF2 CHF:CHF[Z] CHF:CF2 CF2:CF2 !********************* !*** Fluorovinyls *** !********************* CH2:CF CHF:CH[Z] CHF:CF[Z] CF2:CH CF2:CF !********************** !*** Fluoroethynes *** !********************** C2HF C2F2 !********************* !*** Fluoroketenes *** !********************* CHFCO CF2CO CFCO !******************** !** FM-200 species ** !******************** CF3COF CF3CO CF3CHO !***************** !*** Hydrogen/Oxygen/Bromine *** BR2 HBR BR BRO BROH !*** C1 Bromocarbons *** CH3BR CH2BR !*** C2 Bromocarbons *** C2H5BR C2H3BR !*** Mixed Bromo-fluorocarbons *** CF3BR !**** CF2BRCL species**** ! CF2BRCL CF2CL CF2BR CL CF2CL2 CF2BR2 C2F4CL2 CL2 C2F4BRCL C2F4BR2 BRCL C2F4 HCL CLO HOCL CH2CL CHCL2 CH2CLO CHCLO CHCL COCL2 CCLO CH2CH2CL C2H3CL CH2CCL2 C2HCL C2H5CL CH2CLCH2CL CH2CLCHCL CH3CHCL 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 CHF2CL CHF2BR C2F4CL C2F4BR C3H6CL IC3H7CL C2HF4CL C2HF4BR !************************************* !*** F-Cl-containing species, R123 *** !************************************* CF3CCL2H CF3CCL2 CF3CCL3 C2F3CL CFCL2 CF3CL CFCL3 CHFCL2 FCL CFCL CFCLO !************************************************************************************** !*** Cl-containing species, mechanism for CHxCl4-x laminar flame speeds, princeton *** !************************************************************************************** CH3CL CH2CL2 ! END !-------------------------------------------------------------------------------! REACTIONS !************************************************************************************* !************************************************************************************* H+O2<=>O+OH 1.040E+014 0.000 15286.0 O+H2<=>H+OH 5.080E+004 2.670 6292.0 OH+H2<=>H+H2O 4.380E+013 0.000 6990.0 O+H2O<=>OH+OH 2.970E+006 2.020 13400.0 H2+M<=>H+H+M 4.577E+019 -1.400 104400.0 H2/ 2.50/ H2O/ 12.00/ CO/ 1.90/ CO2/ 3.80/ HE/ 0.83/ CH4/ 2.00/ C2H6/ 3.00/ O+O+M<=>O2+M 6.165E+015 -0.500 0.0 H2/ 2.50/ H2O/ 12.00/ AR/ 0.83/ CO/ 1.90/ CO2/ 3.80/ HE/ 0.83/ CH4/ 2.00/ C2H6/ 3.00/ O+H+M<=>OH+M 4.714E+018 -1.000 0.0 H2/ 2.50/ H2O/ 12.00/ AR/ 0.75/ CO/ 1.50/ CO2/ 2.00/ HE/ 0.75/ CH4/ 2.00/ C2H6/ 3.00/ H+OH+M<=>H2O+M 3.500E+022 -2.000 0.0 H2/ 0.73/ H2O/ 3.65/ CH4/ 2.00/ C2H6/ 3.00/ AR/ 0.38/ H+O2(+M)<=>HO2(+M) 4.650E+012 0.440 0.0 LOW/ 1.737E+019 -1.230 0.0/ TROE/ 6.700E-001 1.000E-030 1.000E+030 1.000E+030/ H2/ 1.30/ CO/ 1.90/ CO2/ 3.80/ HE/ 0.00/ H2O/ 10.00/ AR/ 0.00/ CH4/ 2.00/ C2H6/ 3.00/ H+O2(+AR)<=>HO2(+AR) 4.650E+012 0.440 0.0 LOW/ 6.810E+018 -1.200 0.0/ TROE/ 7.000E-001 1.000E-030 1.000E+030 1.000E+030/ H+O2(+HE)<=>HO2(+HE) 4.650E+012 0.440 0.0 LOW/ 9.192E+018 -1.200 0.0/ TROE/ 5.900E-001 1.000E-030 1.000E+030 1.000E+030/ HO2+H<=>OH+OH 7.079E+013 0.000 295.0 H2+O2<=>H+HO2 5.176E+005 2.433 53502.0 HO2+O<=>OH+O2 3.250E+013 0.000 0.0 HO2+OH<=>H2O+O2 2.456E+013 0.000 -497.0 HO2+HO2<=>H2O2+O2 1.300E+011 0.000 -1630.0 DUP HO2+HO2<=>H2O2+O2 3.658E+014 0.000 12000.0 DUP H2O2(+H2O)<=>OH+OH(+H2O) 2.000E+012 0.900 48749.0 LOW/ 1.865E+025 -2.300 48749.0/ TROE/ 5.100E-001 1.000E-030 1.000E+030/ H2O2(+M)<=>OH+OH(+M) 2.000E+012 0.900 48749.0 LOW/ 2.490E+024 -2.300 48749.0/ TROE/ 4.300E-001 1.000E-030 1.000E+030/ H2O/ 0.00/ CO2/ 1.60/ N2/ 1.50/ O2/ 1.20/ HE/ 0.65/ H2O2/ 7.70/ H2/ 3.70/ CO/ 2.80/ H2O2+H<=>H2O+OH 2.410E+013 0.000 3970.0 H2O2+H<=>H2+HO2 2.150E+010 1.000 6000.0 H2O2+O<=>OH+HO2 9.550E+006 2.000 3970.0 H2O2+OH<=>H2O+HO2 1.740E+012 0.000 318.0 DUP H2O2+OH<=>H2O+HO2 7.590E+013 0.000 7269.0 DUP CO+O(+M)<=>CO2(+M) 1.362E+010 0.000 2384.0 LOW/ 1.173E+024 -2.790 4191.0/ H2/ 2.00/ H2O/ 12.00/ CO/ 1.75/ CO2/ 3.60/ AR/ 0.70/ HE/ 0.70/ CO+O2<=>CO2+O 1.119E+012 0.000 47700.0 CO+OH<=>CO2+H 7.015E+004 2.053 -355.7 DUP CO+OH<=>CO2+H 5.757E+012 -0.664 331.8 DUP CO+HO2<=>CO2+OH 1.570E+005 2.180 17940.0 HCO+M<=>H+CO+M 5.700E+011 0.660 14870.0 H2/ 2.00/ H2O/ 12.00/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HCO+O2<=>CO+HO2 7.580E+012 0.000 410.0 HCO+H<=>CO+H2 7.340E+013 0.000 0.0 HCO+O<=>CO+OH 3.020E+013 0.000 0.0 HCO+O<=>CO2+H 3.000E+013 0.000 0.0 HCO+OH<=>CO+H2O 1.020E+014 0.000 0.0 HCO+HO2=>CO2+H+OH 3.000E+013 0.000 0.0 HCO+HCO=>H2+CO+CO 3.000E+012 0.000 0.0 HCO+CH3<=>CH4+CO 2.650E+013 0.000 0.0 CH2O+O2<=>HCO+HO2 8.070E+015 0.000 53420.0 HCO+O2<=>O2CHO 1.200E+011 0.000 -1100.0 CH2O+O2CHO<=>HCO+HO2CHO 1.990E+012 0.000 11660.0 OCHO+OH<=>HO2CHO 2.000E+013 0.000 0.0 H+CO2<=>OCHO 7.500E+013 0.000 29000.0 HCO+HCO<=>CH2O+CO 1.800E+013 0.000 0.0 H+O+M<=>M+OH* 1.500E+013 0.000 5975.0 H2/ 1.00/ H2O/ 6.50/ O2/ 0.40/ N2/ 0.40/ AR/ 0.35/ OH*+H2O<=>OH+H2O 5.930E+012 0.500 -860.0 OH*+H2<=>OH+H2 2.950E+012 0.500 -444.0 OH*+N2<=>OH+N2 1.080E+011 0.500 -1242.0 OH*+OH<=>OH+OH 6.010E+012 0.500 -764.0 OH*+H<=>OH+H 1.310E+012 0.500 -167.0 OH*+AR<=>OH+AR 1.690E+012 0.000 4135.0 OH*<=>OH 1.450E+006 0.000 0.0 OH*+O2<=>OH+O2 2.100E+012 0.500 -478.0 OH*+CO2<=>OH+CO2 2.750E+012 0.500 -968.0 OH*+CO<=>OH+CO 3.230E+012 0.500 -787.0 OH*+CH4<=>OH+CH4 3.360E+012 0.500 -635.0 CH+O2<=>CO+OH* 4.040E+013 0.000 0.0 C2H+O<=>CO+CH* 6.200E+012 0.000 0.0 C+H+M<=>CH*+M 6.000E+014 0.000 6940.0 C2H+O2<=>CO2+CH* 2.170E+010 0.000 0.0 CH*+AR<=>CH+AR 4.000E+011 0.500 0.0 CH*+H2O<=>CH+H2O 5.300E+013 0.000 0.0 CH*+CO<=>CH+CO 2.440E+012 0.500 0.0 CH*+CO2<=>CH+CO2 2.410E-001 4.300 -1694.0 CH*+O2<=>CH+O2 2.480E+006 2.140 -1720.0 CH*+H2<=>CH+H2 1.470E+014 0.000 1361.0 CH*+CH4<=>CH+CH4 1.730E+013 0.000 167.0 CH*<=>CH 1.860E+006 0.000 0.0 CH*+N2<=>CH+N2 3.030E+002 3.400 -381.0 HCO+H(+M)<=>CH2O(+M) 1.090E+012 0.480 -260.0 LOW/ 1.350E+024 -2.570 1425.0/ TROE/ 7.824E-001 2.710E+002 2.755E+003 6.570E+003/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ CO+H2(+M)<=>CH2O(+M) 4.300E+007 1.500 79600.0 LOW/ 5.070E+027 -3.420 84348.0/ TROE/ 9.320E-001 1.970E+002 1.540E+003 1.030E+004/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ CH2O+OH<=>HCO+H2O 7.820E+007 1.630 -1055.0 CH2O+H<=>HCO+H2 5.740E+007 1.900 2740.0 CH2O+O<=>HCO+OH 6.260E+009 1.150 2260.0 CH2O+CH3<=>HCO+CH4 3.830E+001 3.360 4312.0 CH2O+HO2<=>HCO+H2O2 1.880E+004 2.700 11520.0 CH2O+OH<=>HOCH2O 4.500E+015 -1.100 0.0 HOCH2O<=>HOCHO+H 1.000E+014 0.000 14900.0 HOCHO<=>CO+H2O 2.450E+012 0.000 60470.0 HOCHO<=>CO2+H2 2.950E+009 0.000 48520.0 OCHO+HO2<=>HOCHO+O2 3.500E+010 0.000 -3275.0 HOCHO+OH=>H2O+CO2+H 2.620E+006 2.060 916.0 HOCHO+OH=>H2O+CO+OH 1.850E+007 1.510 -962.0 HOCHO+H=>H2+CO2+H 4.240E+006 2.100 4868.0 HOCHO+H=>H2+CO+OH 6.030E+013 -0.350 2988.0 HOCHO+CH3=>CH4+CO+OH 3.900E-007 5.800 2200.0 OCHO+H2O2<=>HOCHO+HO2 2.400E+012 0.000 10000.0 HOCHO+HO2=>H2O2+CO+OH 1.000E+012 0.000 11920.0 HOCHO+O=>CO+OH+OH 1.770E+018 -1.900 2975.0 CH2O+OCHO<=>HOCHO+HCO 5.600E+012 0.000 13600.0 CH3O(+M)<=>CH2O+H(+M) 6.800E+013 0.000 26170.0 LOW/ 1.867E+025 -3.000 24307.0/ TROE/ 9.000E-001 2.500E+003 1.300E+003 1.000E+099/ H2/ 2.00/ H2O/ 6.00/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ CH3O+O2<=>CH2O+HO2 4.380E-019 9.500 -5501.0 CH2O+CH3O<=>CH3OH+HCO 6.620E+011 0.000 2294.0 CH3+CH3OH<=>CH4+CH3O 1.440E+001 3.100 6935.0 CH3O+CH3<=>CH2O+CH4 1.200E+013 0.000 0.0 CH3O+H<=>CH2O+H2 2.000E+013 0.000 0.0 CH3O+HO2<=>CH2O+H2O2 3.010E+011 0.000 0.0 CH2O+H(+M)<=>CH2OH(+M) 5.400E+011 0.454 3600.0 LOW/ 1.270E+032 -4.820 6530.0/ TROE/ 7.187E-001 1.030E+002 1.291E+003 4.160E+003/ H2/ 2.00/ H2O/ 6.00/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ CH2OH+O2<=>CH2O+HO2 1.510E+015 -1.000 0.0 DUP CH2OH+O2<=>CH2O+HO2 2.410E+014 0.000 5017.0 DUP CH2OH+H<=>CH2O+H2 6.000E+012 0.000 0.0 CH2OH+HO2<=>CH2O+H2O2 1.200E+013 0.000 0.0 CH2OH+HCO<=>CH2O+CH2O 1.800E+014 0.000 0.0 CH2OH+CH3O<=>CH2O+CH3OH 2.400E+013 0.000 0.0 CH3OH+HCO<=>CH2OH+CH2O 9.630E+003 2.900 13110.0 OH+CH2OH<=>H2O+CH2O 2.400E+013 0.000 0.0 O+CH2OH<=>OH+CH2O 4.200E+013 0.000 0.0 CH2OH+CH2OH<=>CH2O+CH3OH 3.000E+012 0.000 0.0 CH2OH+HO2<=>HOCH2O+OH 1.000E+013 0.000 0.0 CH3OH(+M)<=>CH3+OH(+M) 2.084E+018 -0.615 92540.6 LOW/ 1.500E+043 -6.995 97992.2/ TROE/ -4.748E-001 3.558E+004 1.116E+003 9.023E+003/ CH3OH(+M)<=>CH2(S)+H2O(+M) 3.121E+018 -1.017 91712.0 LOW/ 1.430E+047 -8.227 99417.1/ TROE/ 2.545E+000 3.290E+003 4.732E+004 4.711E+004/ CH3OH(+M)<=>CH2OH+H(+M) 7.896E-003 5.038 84467.4 LOW/ 3.390E+042 -7.244 105230.3/ TROE/ -7.391E+001 3.705E+004 4.150E+004 5.220E+003/ CH3OH+H<=>CH2OH+H2 3.070E+005 2.550 5440.0 CH3OH+H<=>CH3O+H2 1.990E+005 2.560 10300.0 CH3OH+O<=>CH2OH+OH 3.880E+005 2.500 3080.0 CH3OH+OH<=>CH2OH+H2O 3.080E+004 2.650 -806.7 CH3OH+OH<=>CH3O+H2O 1.500E+002 3.030 -763.0 CH3OH+O2<=>CH2OH+HO2 2.050E+013 0.000 44900.0 CH3OH+HO2<=>CH2OH+H2O2 1.080E+004 2.550 10530.0 CH3OH+CH3<=>CH2OH+CH4 3.190E+001 3.170 7172.0 CH3O+CH3OH<=>CH2OH+CH3OH 3.000E+011 0.000 4074.0 CH3O+CH3O<=>CH3OH+CH2O 6.030E+013 0.000 0.0 CH3+H(+M)<=>CH4(+M) 1.270E+016 -0.630 383.0 LOW/ 2.477E+033 -4.760 2440.0/ TROE/ 7.830E-001 7.400E+001 2.941E+003 6.964E+003/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ CH4+H<=>CH3+H2 6.140E+005 2.500 9587.0 CH4+OH<=>CH3+H2O 5.830E+004 2.600 2190.0 CH4+O<=>CH3+OH 1.020E+009 1.500 8600.0 CH4+HO2<=>CH3+H2O2 1.695E+001 3.740 21010.0 CH4+CH2<=>CH3+CH3 2.460E+006 2.000 8270.0 CH3+OH<=>CH2(S)+H2O 4.936E+014 -0.669 -445.8 PLOG/ 0.0100 4.936E+014 -0.669 -445.8/ PLOG/ 0.1000 1.207E+015 -0.778 -175.6/ PLOG/ 1.0000 5.282E+017 -1.518 1772.0/ PLOG/ 10.0000 4.788E+023 -3.155 7003.0/ PLOG/ 100.0000 8.433E+019 -1.962 8244.0/ CH3+OH<=>CH2O+H2 3.502E+005 1.441 -3244.0 PLOG/ 0.0100 3.502E+005 1.441 -3244.0/ PLOG/ 0.1000 8.854E+005 1.327 -2975.0/ PLOG/ 1.0000 1.650E+007 0.973 -2010.0/ PLOG/ 10.0000 5.374E+009 0.287 280.0/ PLOG/ 100.0000 9.494E+018 -2.199 9769.0/ CH3+OH<=>CH2OH+H 1.621E+010 0.965 3210.0 PLOG/ 0.0100 1.621E+010 0.965 3214.0/ PLOG/ 0.1000 1.807E+010 0.950 3247.0/ PLOG/ 1.0000 4.686E+010 0.833 3566.0/ PLOG/ 10.0000 1.525E+013 0.134 5641.0/ PLOG/ 100.0000 3.590E+014 -0.186 8601.0/ CH3+OH<=>H+CH3O 1.186E+009 1.016 11940.0 PLOG/ 0.0100 1.186E+009 1.016 11940.0/ PLOG/ 0.1000 1.188E+009 1.016 11940.0/ PLOG/ 1.0000 1.230E+009 1.011 11950.0/ PLOG/ 10.0000 1.798E+009 0.965 12060.0/ PLOG/ 100.0000 5.242E+010 0.551 13070.0/ CH3+OH<=>HCOH+H2 8.674E+008 0.787 -3046.0 PLOG/ 0.0100 8.674E+008 0.787 -3046.0/ PLOG/ 0.1000 3.115E+009 0.630 -2669.0/ PLOG/ 1.0000 1.557E+011 0.156 -1368.0/ PLOG/ 10.0000 1.704E+021 -2.641 6412.0/ PLOG/ 100.0000 7.250E+020 -2.402 9639.0/ HCOH+OH<=>HCO+H2O 2.000E+013 0.000 0.0 HCOH+H<=>CH2O+H 2.000E+014 0.000 0.0 HCOH+O=>CO2+H+H 5.000E+013 0.000 0.0 HCOH+O=>CO+OH+H 3.000E+013 0.000 0.0 HCOH+O2=>CO2+H+OH 5.000E+012 0.000 0.0 HCOH+O2<=>CO2+H2O 3.000E+013 0.000 0.0 CH3+HO2<=>CH3O+OH 1.000E+012 0.269 -687.5 CH3+HO2<=>CH4+O2 1.160E+005 2.230 -3022.0 CH3+O<=>CH2O+H 5.540E+013 0.050 -136.0 CH3+O2<=>CH3O+O 7.546E+012 0.000 28320.0 CH3+O2<=>CH2O+OH 2.641E+000 3.283 8105.0 CH3+O2(+M)<=>CH3O2(+M) 7.812E+009 0.900 0.0 LOW/ 6.850E+024 -3.000 0.0/ TROE/ 6.000E-001 1.000E+003 7.000E+001 1.700E+003/ CH3O2+CH2O<=>CH3O2H+HCO 1.990E+012 0.000 11660.0 CH4+CH3O2<=>CH3+CH3O2H 9.600E-001 3.770 17810.0 CH3OH+CH3O2<=>CH2OH+CH3O2H 1.810E+012 0.000 13710.0 CH3O2+CH3<=>CH3O+CH3O 5.080E+012 0.000 -1411.0 CH3O2+HO2<=>CH3O2H+O2 2.470E+011 0.000 -1570.0 CH3O2+CH3O2=>CH2O+CH3OH+O2 3.110E+014 -1.610 -1051.0 CH3O2+CH3O2=>O2+CH3O+CH3O 1.400E+016 -1.610 1860.0 CH3O2+H<=>CH3O+OH 9.600E+013 0.000 0.0 CH3O2+O<=>CH3O+O2 3.600E+013 0.000 0.0 CH3O2+OH<=>CH3OH+O2 6.000E+013 0.000 0.0 CH3O2H<=>CH3O+OH 6.310E+014 0.000 42300.0 CH2(S)+N2<=>CH2+N2 1.500E+013 0.000 600.0 CH2(S)+AR<=>CH2+AR 9.000E+012 0.000 600.0 CH2(S)+H<=>CH+H2 3.000E+013 0.000 0.0 CH2(S)+O<=>CO+H2 1.500E+013 0.000 0.0 CH2(S)+O<=>HCO+H 1.500E+013 0.000 0.0 CH2(S)+OH<=>CH2O+H 3.000E+013 0.000 0.0 CH2(S)+H2<=>CH3+H 7.000E+013 0.000 0.0 CH2(S)+O2=>H+OH+CO 2.800E+013 0.000 0.0 CH2(S)+O2<=>CO+H2O 1.200E+013 0.000 0.0 CH2(S)+H2O<=>CH2+H2O 3.000E+013 0.000 0.0 CH2(S)+CO<=>CH2+CO 9.000E+012 0.000 0.0 CH2(S)+CO2<=>CH2+CO2 7.000E+012 0.000 0.0 CH2(S)+CO2<=>CH2O+CO 1.400E+013 0.000 0.0 CH2+H(+M)<=>CH3(+M) 2.500E+016 -0.800 0.0 LOW/ 3.200E+027 -3.140 1230.0/ TROE/ 6.800E-001 7.800E+001 1.995E+003 5.590E+003/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ CH2+O2<=>HCO+OH 1.060E+013 0.000 1500.0 CH2+O2=>CO2+H+H 2.640E+012 0.000 1500.0 CH2+O=>CO+H+H 5.000E+013 0.000 0.0 CH2+H<=>CH+H2 1.000E+018 -1.560 0.0 DUP CH2+OH<=>CH+H2O 1.130E+007 2.000 3000.0 CH+O2<=>HCO+O 3.300E+013 0.000 0.0 C+OH<=>CO+H 5.000E+013 0.000 0.0 C+O2<=>CO+O 5.000E+013 0.000 0.0 CH+H<=>C+H2 1.100E+014 0.000 0.0 CH+O<=>CO+H 5.700E+013 0.000 0.0 CH+OH<=>HCO+H 3.000E+013 0.000 0.0 CH2+H<=>CH+H2 2.700E+011 0.670 25700.0 DUP CH+H2O<=>H+CH2O 1.713E+013 0.000 -755.0 CH+CO2<=>HCO+CO 1.700E+012 0.000 685.0 CH3+CH3(+M)<=>C2H6(+M) 2.277E+015 -0.690 174.9 LOW/ 8.054E+031 -3.750 981.6/ TROE/ 0.000E+000 5.700E+002 1.000E+030 1.000E+030/ H2O/ 5.00/ CO/ 2.00/ CO2/ 3.00/ C2H5+H(+M)<=>C2H6(+M) 5.210E+017 -0.990 1580.0 LOW/ 1.990E+041 -7.080 6685.0/ TROE/ 8.420E-001 1.250E+002 2.219E+003 6.882E+003/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ C2H6+H<=>C2H5+H2 1.150E+008 1.900 7530.0 C2H6+O<=>C2H5+OH 3.550E+006 2.400 5830.0 C2H6+OH<=>C2H5+H2O 1.480E+007 1.900 950.0 C2H6+O2<=>C2H5+HO2 6.030E+013 0.000 51870.0 C2H6+CH3<=>C2H5+CH4 5.480E-001 4.000 8280.0 C2H6+HO2<=>C2H5+H2O2 3.460E+001 3.610 16920.0 C2H6+CH3O2<=>C2H5+CH3O2H 1.940E+001 3.640 17100.0 C2H6+CH3O<=>C2H5+CH3OH 2.410E+011 0.000 7090.0 C2H6+CH<=>C2H5+CH2 1.100E+014 0.000 -260.0 CH2(S)+C2H6<=>CH3+C2H5 1.200E+014 0.000 0.0 C2H4+H(+M)<=>C2H5(+M) 9.569E+008 1.463 1355.0 LOW/ 1.419E+039 -6.642 5769.0/ TROE/ -5.690E-001 2.990E+002 -9.147E+003 1.524E+002/ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/ H2+CH3O2<=>H+CH3O2H 1.500E+014 0.000 26030.0 H2+C2H5O2<=>H+C2H5O2H 1.500E+014 0.000 26030.0 C2H4+C2H4<=>C2H5+C2H3 4.820E+014 0.000 71530.0 CH3+C2H5<=>CH4+C2H4 1.180E+004 2.450 -2921.0 CH3+CH3<=>H+C2H5 4.740E+012 0.105 10664.3 PLOG/ 0.0100 4.740E+012 0.105 10664.3/ PLOG/ 0.1000 2.570E+013 -0.096 11406.1/ PLOG/ 1.0000 3.100E+014 -0.362 13372.5/ PLOG/ 10.0000 2.150E+010 0.885 13532.5/ PLOG/ 100.0000 1.032E+002 3.230 11236.1/ C2H5+H<=>C2H4+H2 2.000E+012 0.000 0.0 C2H5+O<=>CH3CHO+H 1.100E+014 0.000 0.0 C2H5+HO2<=>C2H5O+OH 1.100E+013 0.000 0.0 CH3O2+C2H5<=>CH3O+C2H5O 8.000E+012 0.000 -1000.0 C2H5O+O2<=>CH3CHO+HO2 4.280E+010 0.000 1097.0 CH3+CH2O<=>C2H5O 3.000E+011 0.000 6336.0 CH3CHO+H<=>C2H5O 4.610E+007 1.710 7090.0 C2H5O2+CH2O<=>C2H5O2H+HCO 1.990E+012 0.000 11660.0 CH4+C2H5O2<=>CH3+C2H5O2H 1.810E+011 0.000 18480.0 CH3OH+C2H5O2<=>CH2OH+C2H5O2H 1.810E+012 0.000 13710.0 C2H5O2+HO2<=>C2H5O2H+O2 1.750E+010 0.000 -3275.0 C2H6+C2H5O2<=>C2H5+C2H5O2H 8.600E+000 3.760 17200.0 C2H5O2H<=>C2H5O+OH 6.310E+014 0.000 42300.0 C2H5+O2<=>C2H5O2 3.398E+053 -13.900 9279.0 PLOG/ 0.0400 3.398E+053 -13.900 9279.0/ PLOG/ 1.0000 9.362E+059 -15.280 14240.0/ PLOG/ 10.0000 1.262E+060 -14.910 16240.0/ C2H5+O2<=>C2H4O2H 2.103E+034 -9.010 5444.0 PLOG/ 0.0400 2.103E+034 -9.010 5444.0/ PLOG/ 1.0000 4.884E+033 -8.310 7710.0/ PLOG/ 10.0000 1.705E+045 -11.490 14590.0/ C2H5+O2<=>C2H4+HO2 2.094E+009 0.490 -391.4 DUP PLOG/ 0.0400 2.094E+009 0.490 -391.4/ PLOG/ 1.0000 1.843E+007 1.130 -720.6/ PLOG/ 10.0000 7.561E+014 -1.010 4749.0/ C2H5+O2<=>C2H4+HO2 6.609E+000 3.510 14160.0 DUP C2H5+O2<=>C2H4O1-2+OH 1.303E+003 1.930 -502.7 PLOG/ 0.0400 1.303E+003 1.930 -502.7/ PLOG/ 1.0000 2.438E+002 2.180 -62.5/ PLOG/ 10.0000 4.621E+009 0.150 5409.0/ C2H5+O2<=>CH3CHO+OH 4.908E-006 4.760 254.3 PLOG/ 0.0400 4.908E-006 4.760 254.3/ PLOG/ 1.0000 6.803E-002 3.570 2643.0/ PLOG/ 10.0000 8.265E+002 2.410 5285.0/ C2H4O2H<=>C2H5O2 2.653E-016 6.960 2396.0 PLOG/ 0.0400 2.653E-016 6.960 2396.0/ PLOG/ 1.0000 1.064E+041 -10.100 26030.0/ PLOG/ 10.0000 1.203E+036 -8.130 27020.0/ C2H5O2<=>CH3CHO+OH 1.237E+035 -9.420 36360.0 PLOG/ 0.0400 1.237E+035 -9.420 36360.0/ PLOG/ 1.0000 1.687E+036 -9.220 38700.0/ PLOG/ 10.0000 2.520E+041 -10.200 43710.0/ C2H5O2<=>C2H4+HO2 1.782E+032 -7.100 32840.0 PLOG/ 0.0400 1.782E+032 -7.100 32840.0/ PLOG/ 1.0000 2.701E+037 -8.470 35840.0/ PLOG/ 10.0000 1.980E+038 -8.460 37900.0/ C2H5O2<=>C2H4O1-2+OH 5.778E+045 -11.900 4112.0 PLOG/ 0.0400 5.778E+045 -11.900 4112.0/ PLOG/ 1.0000 1.916E+043 -10.750 42400.0/ PLOG/ 10.0000 3.965E+043 -10.460 45580.0/ C2H4O2H<=>C2H4O1-2+OH 8.959E+038 -9.400 20660.0 PLOG/ 0.0400 8.959E+038 -9.400 20660.0/ PLOG/ 1.0000 1.224E+037 -8.320 21460.0/ PLOG/ 10.0000 8.848E+030 -6.080 20660.0/ C2H4O2H<=>C2H4+HO2 3.918E+040 -10.200 22250.0 PLOG/ 0.0400 3.918E+040 -10.200 22250.0/ PLOG/ 1.0000 6.825E+040 -9.610 23840.0/ PLOG/ 10.0000 3.980E+034 -7.250 23250.0/ C2H4O2H<=>CH3CHO+OH 5.819E+026 -7.970 20860.0 PLOG/ 0.0400 5.819E+026 -7.970 20860.0/ PLOG/ 1.0000 5.520E+034 -9.880 26230.0/ PLOG/ 10.0000 1.188E+034 -9.020 29210.0/ C2H4O1-2<=>CH3+HCO 3.630E+013 0.000 57200.0 C2H4O1-2<=>CH3CHO 7.407E+012 0.000 53800.0 C2H4O1-2+OH<=>C2H3O1-2+H2O 1.780E+013 0.000 3610.0 C2H4O1-2+H<=>C2H3O1-2+H2 8.000E+013 0.000 9680.0 C2H4O1-2+HO2<=>C2H3O1-2+H2O2 1.130E+013 0.000 30430.0 C2H4O1-2+CH3O2<=>C2H3O1-2+CH3O2H 1.130E+013 0.000 30430.0 C2H4O1-2+C2H5O2<=>C2H3O1-2+C2H5O2H 1.130E+013 0.000 30430.0 C2H4O1-2+CH3<=>C2H3O1-2+CH4 1.070E+012 0.000 11830.0 C2H4O1-2+CH3O<=>C2H3O1-2+CH3OH 1.200E+011 0.000 6750.0 C2H3O1-2<=>CH3CO 8.500E+014 0.000 14000.0 C2H3O1-2<=>CH2CHO 1.000E+014 0.000 14000.0 CH3CHO(+M)<=>CH3+HCO(+M) 2.450E+022 -1.740 86355.0 LOW/ 1.030E+059 -11.300 95912.5/ TROE/ 2.490E-003 7.181E+002 6.089E+000 3.780E+003/ CH3CHO(+M)<=>CH4+CO(+M) 2.720E+021 -1.740 86355.0 LOW/ 1.144E+058 -11.300 95912.5/ TROE/ 2.490E-003 7.181E+002 6.089E+000 3.780E+003/ CH3CHO+H<=>CH3CO+H2 1.310E+005 2.580 1220.0 CH3CHO+H<=>CH2CHO+H2 2.720E+003 3.100 5210.0 CH3CHO+O<=>CH3CO+OH 5.940E+012 0.000 1868.0 CH3CHO+OH<=>CH3CO+H2O 3.370E+012 0.000 -619.0 CH3CHO+O2<=>CH3CO+HO2 3.010E+013 0.000 39150.0 CH3CHO+CH3<=>CH3CO+CH4 7.080E-004 4.580 1966.0 CH3CHO+HO2<=>CH3CO+H2O2 3.010E+012 0.000 11920.0 CH3O2+CH3CHO<=>CH3O2H+CH3CO 3.010E+012 0.000 11920.0 CH3CHO+CH3CO3<=>CH3CO+CH3CO3H 3.010E+012 0.000 11920.0 CH3CHO+OH<=>CH3+HOCHO 3.000E+015 -1.076 0.0 CH3CHO+OH<=>CH2CHO+H2O 1.720E+005 2.400 815.0 CH3CO(+M)<=>CH3+CO(+M) 1.070E+012 0.630 16900.0 LOW/ 5.650E+018 -0.970 14600.0/ TROE/ 6.290E-001 8.730E+009 5.520E+000 7.600E+007/ CH3CO+H<=>CH2CO+H2 2.000E+013 0.000 0.0 CH3CO+O<=>CH2CO+OH 2.000E+013 0.000 0.0 CH3CO+CH3<=>CH2CO+CH4 5.000E+013 0.000 0.0 CH3CO+O2<=>CH3CO3 1.200E+011 0.000 -1100.0 CH3CO3+HO2<=>CH3CO3H+O2 1.750E+010 0.000 -3275.0 H2O2+CH3CO3<=>HO2+CH3CO3H 2.410E+012 0.000 9936.0 CH4+CH3CO3<=>CH3+CH3CO3H 1.810E+011 0.000 18480.0 CH2O+CH3CO3<=>HCO+CH3CO3H 1.990E+012 0.000 11660.0 C2H6+CH3CO3<=>C2H5+CH3CO3H 1.700E+013 0.000 20460.0 CH3CO3H<=>CH3CO2+OH 5.010E+014 0.000 40150.0 CH3CO2+M<=>CH3+CO2+M 4.400E+015 0.000 10500.0 CH2CHO(+M)<=>CH2CO+H(+M) 1.430E+015 -0.150 45600.0 LOW/ 6.000E+029 -3.800 43423.9/ TROE/ 9.850E-001 3.930E+002 9.800E+009 5.000E+009/ CH2CHO(+M)<=>CH3+CO(+M) 2.930E+012 0.290 40300.0 LOW/ 9.520E+033 -5.070 41300.0/ TROE/ 7.130E-017 1.150E+003 4.990E+009 1.790E+009/ CH2CHO+O2<=>O2CH2CHO 1.580E+077 -21.900 19350.0 PLOG/ 0.0100 1.580E+077 -21.900 19350.0/ PLOG/ 0.1000 3.880E+069 -18.840 19240.0/ PLOG/ 1.0000 7.800E+059 -15.400 17650.0/ PLOG/ 10.0000 3.050E+050 -12.200 15630.0/ CH2CHO+O2<=>CH2CO+HO2 1.880E+005 2.370 23730.0 PLOG/ 0.0100 1.880E+005 2.370 23730.0/ PLOG/ 0.1000 1.880E+005 2.370 27370.0/ PLOG/ 1.0000 2.510E+005 2.330 23800.0/ PLOG/ 10.0000 7.050E+007 1.630 25290.0/ CH2CHO+O2=>CH2O+CO+OH 2.680E+017 -1.840 6530.0 PLOG/ 0.0100 2.680E+017 -1.840 6530.0/ PLOG/ 0.1000 1.520E+020 -2.580 8980.0/ PLOG/ 1.0000 1.650E+019 -2.220 10340.0/ PLOG/ 10.0000 8.953E+013 -0.600 10120.0/ CH2CHO+O2<=>HO2CH2CO 3.640E+065 -21.870 19020.0 PLOG/ 0.0100 3.640E+065 -21.870 19020.0/ PLOG/ 0.1000 3.640E+058 -19.000 19090.0/ PLOG/ 1.0000 6.650E+048 -15.550 17460.0/ PLOG/ 10.0000 4.800E+038 -12.140 14960.0/ O2CH2CHO<=>HO2CH2CO 8.270E+030 -6.650 24500.0 PLOG/ 0.0100 8.270E+030 -6.650 24500.0/ PLOG/ 0.1000 1.730E+026 -4.990 23760.0/ PLOG/ 1.0000 9.030E+019 -2.920 22170.0/ PLOG/ 10.0000 1.430E+016 -1.670 21210.0/ O2CH2CHO<=>CH2CO+HO2 2.050E+040 -13.310 52150.0 PLOG/ 0.0100 2.050E+040 -13.310 52150.0/ PLOG/ 0.1000 5.720E+045 -14.000 52200.0/ PLOG/ 1.0000 4.160E+055 -15.760 55080.0/ PLOG/ 10.0000 1.120E+061 -16.040 60010.0/ HO2CH2CO=>CO+CH2O+OH 2.360E+017 -2.950 8100.0 PLOG/ 0.0100 2.360E+017 -2.950 8100.0/ PLOG/ 0.1000 2.380E+018 -2.950 8100.0/ PLOG/ 1.0000 2.510E+019 -2.950 8110.0/ PLOG/ 10.0000 4.160E+020 -3.020 8240.0/ HO2CH2CO<=>CH2CO+HO2 1.120E+007 -3.760 21680.0 PLOG/ 0.0100 1.120E+007 -3.760 21680.0/ PLOG/ 0.1000 1.100E+008 -3.760 21680.0/ PLOG/ 1.0000 9.200E+008 -3.730 21630.0/ PLOG/ 10.0000 2.090E+009 -3.550 21220.0/ CH2+CO(+M)<=>CH2CO(+M) 8.100E+011 0.000 0.0 LOW/ 2.690E+033 -5.110 7095.0/ TROE/ 5.907E-001 2.750E+002 1.226E+003 5.185E+003/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ CH3CO(+M)<=>CH2CO+H(+M) 9.413E+007 1.917 44987.2 LOW/ 1.516E+051 -10.270 55390.0/ TROE/ 6.009E-001 8.103E+009 6.677E+002 5.000E+009/ CH2CO+H<=>HCCO+H2 1.401E+015 -0.171 8783.2 CH2CO+H<=>CH3+CO 7.704E+013 -0.171 4183.2 CH2CO+O<=>CH2+CO2 1.750E+012 0.000 1350.0 CH2CO+O<=>HCCO+OH 1.000E+013 0.000 8000.0 CH2CO+OH<=>HCCO+H2O 1.000E+013 0.000 2000.0 CH2CO+OH<=>CH2OH+CO 2.000E+012 0.000 -1010.0 CH2CO+CH3<=>C2H5+CO 4.769E+004 2.312 9468.0 CH2(S)+CH2CO<=>C2H4+CO 1.600E+014 0.000 0.0 HCCO+OH=>H2+CO+CO 1.000E+014 0.000 0.0 HCCO+O=>H+CO+CO 8.000E+013 0.000 0.0 HCCO+H<=>CH2(S)+CO 1.000E+014 0.000 0.0 HCCO+O2=>OH+CO+CO 1.910E+011 -0.020 1020.0 HCCO+O2=>CO2+CO+H 4.780E+012 -0.142 1150.0 CH+CO+M<=>HCCO+M 7.570E+022 -1.900 0.0 CH+CH2O<=>H+CH2CO 9.460E+013 0.000 -515.0 CH+HCCO<=>CO+C2H2 5.000E+013 0.000 0.0 C2H3+H(+M)<=>C2H4(+M) 6.080E+012 0.270 280.0 LOW/ 1.400E+030 -3.860 3320.0/ TROE/ 7.820E-001 2.075E+002 2.663E+003 6.095E+003/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ C2H4(+M)<=>H2+H2CC(+M) 8.000E+012 0.440 88770.0 LOW/ 7.000E+050 -9.310 99860.0/ TROE/ 7.345E-001 1.800E+002 1.035E+003 5.417E+003/ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/ C2H4+H<=>C2H3+H2 5.070E+007 1.930 12950.0 C2H4+O<=>CH3+HCO 7.453E+006 1.880 183.0 C2H4+O<=>CH2CHO+H 6.098E+006 1.880 183.0 C2H4+OH<=>C2H3+H2O 2.230E+004 2.745 2215.5 C2H4+OH<=>CH3+CH2O 5.350E+000 2.920 -1732.7 PLOG/ 0.0100 5.350E+000 2.920 -1732.7/ PLOG/ 0.0250 3.190E+001 2.710 -1172.3/ PLOG/ 0.1000 5.550E+002 2.360 -180.8/ PLOG/ 1.0000 1.780E+005 1.680 2060.5/ PLOG/ 10.0000 2.370E+009 0.560 6006.7/ PLOG/ 100.0000 2.760E+013 -0.500 11455.1/ C2H4+OH<=>CH3CHO+H 2.370E-007 5.300 -2050.6 PLOG/ 0.0100 2.370E-007 5.300 -2050.6/ PLOG/ 0.0250 8.730E-005 4.570 -618.0/ PLOG/ 0.1000 4.030E-001 3.540 1881.7/ PLOG/ 1.0000 2.380E-002 3.910 1722.7/ PLOG/ 10.0000 8.250E+008 1.010 10507.3/ PLOG/ 100.0000 6.800E+009 0.810 13867.3/ C2H4+OH<=>C2H3OH+H 1.040E+004 2.600 4121.0 PLOG/ 0.0100 1.040E+004 2.600 4121.0/ PLOG/ 0.0250 1.070E+004 2.600 4129.0/ PLOG/ 0.1000 1.520E+004 2.560 4238.3/ PLOG/ 1.0000 3.190E+005 2.190 5255.6/ PLOG/ 10.0000 1.940E+008 1.430 7828.8/ PLOG/ 100.0000 8.550E+010 0.750 11490.8/ C2H4+OH<=>PC2H4OH 1.740E+043 -10.461 7698.7 PLOG/ 0.0100 1.740E+043 -10.461 7698.7/ PLOG/ 0.0250 3.250E+037 -8.629 5214.7/ PLOG/ 0.1000 1.840E+035 -7.750 4908.9/ PLOG/ 1.0000 2.560E+036 -7.752 6946.1/ PLOG/ 10.0000 3.700E+033 -6.573 7605.9/ PLOG/ 100.0000 1.120E+026 -4.101 5757.0/ C2H3OH+O2<=>CH2CHO+HO2 5.310E+011 0.210 39830.0 C2H3OH+O<=>CH2CHO+OH 1.875E+006 1.900 -860.0 C2H3OH+OH<=>CH2CHO+H2O 3.330E+009 1.100 540.5 C2H3OH+CH3<=>CH2CHO+CH4 2.030E-008 5.900 1052.0 C2H3OH+CH3O2<=>CH2CHO+CH3O2H 3.400E+003 2.500 8922.0 C2H3OH+H<=>CH2CHO+H2 1.480E+003 3.077 7220.0 C2H3OH+H<=>C2H2OH+H2 2.470E+007 2.030 15200.0 C2H3OH+H<=>PC2H4OH 3.010E+008 1.577 3670.0 C2H3OH+HO2<=>CH3CHO+HO2 1.490E+005 1.670 6810.0 C2H3OH<=>CH3CHO 7.420E+046 -10.560 67420.0 PLOG/ 0.1000 7.420E+046 -10.560 67420.0/ PLOG/ 1.0000 4.420E+042 -9.090 67069.2/ PLOG/ 100.0000 2.900E+027 -4.350 61612.9/ C2H4+CH3<=>C2H3+CH4 6.620E+000 3.700 9500.0 C2H4+O2<=>C2H3+HO2 4.220E+013 0.000 57623.1 C2H4+CH3O<=>C2H3+CH3OH 1.200E+011 0.000 6750.0 C2H4+CH3O2<=>C2H3+CH3O2H 8.590E+000 3.754 27132.0 C2H4+C2H5O2<=>C2H3+C2H5O2H 8.590E+000 3.754 27132.0 C2H4+CH3CO3<=>C2H3+CH3CO3H 1.130E+013 0.000 30430.0 C2H4+CH3O2<=>C2H4O1-2+CH3O 2.820E+012 0.000 17110.0 C2H4+C2H5O2<=>C2H4O1-2+C2H5O 2.820E+012 0.000 17110.0 C2H4+HO2<=>C2H4O1-2+OH 5.575E+011 0.000 17190.0 CH+CH4<=>C2H4+H 6.000E+013 0.000 0.0 CH2(S)+CH3<=>C2H4+H 2.000E+013 0.000 0.0 C2H2+H(+M)<=>C2H3(+M) 1.710E+010 1.266 2709.0 LOW/ 6.346E+031 -4.664 3780.0/ TROE/ 7.880E-001 -1.020E+004 1.000E-030/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ C2H3+O2<=>CH2O+HCO 1.700E+029 -5.312 6503.1 C2H3+O2<=>CH2CHO+O 7.000E+014 -0.611 5262.4 C2H3+O2=>H+CO+CH2O 5.190E+015 -1.260 3312.6 CH3+C2H3<=>CH4+C2H2 3.920E+011 0.000 0.0 C2H3+H<=>C2H2+H2 9.000E+013 0.000 0.0 C2H3+H<=>H2CC+H2 6.000E+013 0.000 0.0 C2H3+OH<=>C2H2+H2O 3.011E+013 0.000 0.0 C2H3+C2H3<=>C2H2+C2H4 9.600E+011 0.000 0.0 C2H+H(+M)<=>C2H2(+M) 1.000E+017 0.000 0.0 LOW/ 3.750E+033 -4.800 1900.0/ TROE/ 6.460E-001 1.320E+002 1.315E+003 5.566E+003/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ C2H+O<=>CH+CO 5.000E+013 0.000 0.0 C2H+OH<=>H+HCCO 2.000E+013 0.000 0.0 C2H+O2<=>HCO+CO 5.000E+013 0.000 1500.0 C2H+H2<=>H+C2H2 4.900E+005 2.500 560.0 C2H2(+M)<=>H2CC(+M) 8.000E+014 -0.520 50750.0 LOW/ 2.450E+015 -0.640 49700.0/ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ C2H2/ 2.50/ C2H4/ 2.50/ C2H2+O<=>CH2+CO 7.395E+008 1.280 2472.0 C2H2+O<=>HCCO+H 2.958E+009 1.280 2472.0 C2H2+OH<=>C2H+H2O 2.632E+006 2.140 17060.0 C2H2+OH<=>HCCOH+H 2.800E+005 2.280 12420.0 PLOG/ 0.0100 2.800E+005 2.280 12420.0/ PLOG/ 0.0250 7.467E+005 2.160 12550.0/ PLOG/ 0.1000 1.776E+006 2.040 12670.0/ PLOG/ 1.0000 2.415E+006 2.000 12710.0/ PLOG/ 10.0000 3.210E+006 1.970 12810.0/ PLOG/ 100.0000 7.347E+006 1.890 13600.0/ C2H2+OH<=>CH2CO+H 1.578E+003 2.560 -844.5 PLOG/ 0.0100 1.578E+003 2.560 -844.5/ PLOG/ 0.0250 1.518E+004 2.280 -292.1/ PLOG/ 0.1000 3.017E+005 1.920 598.1/ PLOG/ 1.0000 7.528E+006 1.550 2106.0/ PLOG/ 10.0000 5.101E+006 1.650 3400.0/ PLOG/ 100.0000 1.457E+004 2.450 4477.0/ C2H2+OH<=>CH3+CO 4.757E+005 1.680 -329.8 PLOG/ 0.0100 4.757E+005 1.680 -329.8/ PLOG/ 0.0250 4.372E+006 1.400 226.5/ PLOG/ 0.1000 7.648E+007 1.050 1115.0/ PLOG/ 1.0000 1.277E+009 0.730 2579.0/ PLOG/ 10.0000 4.312E+008 0.920 3736.0/ PLOG/ 100.0000 8.250E+005 1.770 4697.0/ C2H2+OH<=>C2H2OH 3.913E+032 -7.126 5824.0 PLOG/ 0.0100 3.913E+032 -7.126 5824.0/ PLOG/ 0.0250 1.067E+032 -6.847 5508.0/ PLOG/ 0.1000 1.646E+032 -6.717 5822.0/ PLOG/ 1.0000 1.387E+031 -6.087 6348.0/ PLOG/ 10.0000 2.892E+029 -5.288 7055.0/ PLOG/ 100.0000 1.367E+025 -3.754 6543.0/ C2H2+HCO<=>C2H3+CO 1.000E+007 2.000 6000.0 C2H2+CH2<=>C3H3+H 1.200E+013 0.000 6620.0 C2H2+CH2(S)<=>C3H3+H 2.000E+013 0.000 0.0 C2H2+HCCO<=>C3H3+CO 1.000E+011 0.000 3000.0 H2CC+H<=>C2H2+H 1.000E+014 0.000 0.0 H2CC+OH<=>CH2CO+H 2.000E+013 0.000 0.0 H2CC+O2<=>HCO+HCO 1.000E+013 0.000 0.0 H+HCCOH<=>H+CH2CO 1.000E+013 0.000 0.0 C2H5OH<=>C2H4+H2O 3.410E+059 -14.200 83672.6 PLOG/ 0.0010 3.410E+059 -14.200 83672.6/ PLOG/ 0.0100 2.620E+057 -13.300 85262.2/ PLOG/ 0.1000 1.650E+052 -11.500 84745.6/ PLOG/ 1.0000 5.230E+043 -8.900 81506.7/ PLOG/ 10.0000 4.590E+032 -5.600 76062.4/ PLOG/ 100.0000 3.840E+020 -2.060 69465.5/ C2H5OH<=>CH3+CH2OH 1.200E+054 -12.900 100005.7 PLOG/ 0.0010 1.200E+054 -12.900 100005.7/ PLOG/ 0.0100 5.180E+059 -14.000 99906.4/ PLOG/ 0.1000 1.620E+066 -15.300 105390.5/ PLOG/ 1.0000 5.550E+064 -14.500 106183.0/ PLOG/ 10.0000 1.550E+058 -12.300 105768.0/ PLOG/ 100.0000 1.780E+047 -8.960 101058.8/ C2H5OH<=>C2H5+OH 8.100E+046 -11.300 111053.4 PLOG/ 0.0010 8.100E+046 -11.300 111053.4/ PLOG/ 0.0100 1.860E+056 -13.500 107238.4/ PLOG/ 0.1000 4.650E+063 -15.000 109622.8/ PLOG/ 1.0000 4.460E+065 -14.900 112345.0/ PLOG/ 10.0000 2.790E+061 -13.400 113080.2/ PLOG/ 100.0000 6.170E+051 -10.300 109940.7/ C2H5OH+O2<=>PC2H4OH+HO2 2.000E+013 0.000 52800.0 C2H5OH+O2<=>SC2H4OH+HO2 1.500E+013 0.000 50150.0 C2H5OH+H<=>SC2H4OH+H2 8.790E+004 2.680 2910.0 C2H5OH+H<=>PC2H4OH+H2 5.310E+004 2.810 7490.0 C2H5OH+H<=>C2H5O+H2 9.450E+002 3.140 8701.1 C2H5OH+OH<=>SC2H4OH+H2O 7.170E+004 2.540 -1534.0 C2H5OH+OH<=>PC2H4OH+H2O 5.700E+000 3.380 -2394.3 C2H5OH+OH<=>C2H5O+H2O 5.810E-003 4.280 -3560.0 C2H5OH+HO2<=>SC2H4OH+H2O2 3.500E-005 5.260 7475.1 C2H5OH+HO2<=>PC2H4OH+H2O2 3.986E-002 4.300 15333.0 C2H5OH+HO2<=>C2H5O+H2O2 6.470E-007 5.300 10533.1 C2H5OH+CH3O2<=>PC2H4OH+CH3O2H 1.230E+004 2.550 15750.0 C2H5OH+CH3O2<=>SC2H4OH+CH3O2H 8.200E+003 2.550 10750.0 C2H5OH+CH3O2<=>C2H5O+CH3O2H 2.500E+012 0.000 24000.0 C2H5OH+O<=>PC2H4OH+OH 9.690E+002 3.230 4658.0 C2H5OH+O<=>SC2H4OH+OH 1.450E+005 2.470 876.0 C2H5OH+O<=>C2H5O+OH 1.460E-003 4.730 1727.0 C2H5OH+CH3<=>PC2H4OH+CH4 3.300E+002 3.300 12290.0 C2H5OH+CH3<=>SC2H4OH+CH4 1.993E+001 3.370 7634.0 C2H5OH+CH3<=>C2H5O+CH4 2.035E+000 3.570 7721.0 C2H5OH+C2H5<=>PC2H4OH+C2H6 5.000E+010 0.000 13400.0 C2H5OH+C2H5<=>SC2H4OH+C2H6 5.000E+010 0.000 10400.0 SC2H4OH<=>CH3CHO+H 5.690E+052 -13.380 45049.0 PLOG/ 0.0010 5.690E+052 -13.380 45049.0/ PLOG/ 0.0100 3.290E+056 -14.120 48129.0/ PLOG/ 0.1000 8.580E+057 -14.160 50743.0/ PLOG/ 1.0000 5.360E+055 -13.150 51886.0/ PLOG/ 10.0000 1.660E+048 -10.640 50297.0/ PLOG/ 20.0000 8.260E+044 -9.590 49218.0/ PLOG/ 50.0000 1.010E+040 -8.060 47439.0/ PLOG/ 100.0000 1.100E+036 -6.840 45899.0/ SC2H4OH<=>C2H3OH+H 5.400E+046 -11.630 44323.0 PLOG/ 0.0010 5.400E+046 -11.630 44323.0/ PLOG/ 0.0100 1.210E+051 -12.550 47240.0/ PLOG/ 0.1000 2.870E+054 -13.150 50702.0/ PLOG/ 1.0000 3.790E+053 -12.510 52560.0/ PLOG/ 10.0000 6.330E+046 -10.200 51441.0/ PLOG/ 20.0000 3.870E+043 -9.170 50440.0/ PLOG/ 50.0000 5.080E+038 -7.650 48713.0/ PLOG/ 100.0000 5.120E+034 -6.410 47182.0/ SC2H4OH<=>C2H5O 5.480E+045 -11.630 44328.0 PLOG/ 0.0010 5.480E+045 -11.630 44328.0/ PLOG/ 0.0100 2.540E+049 -12.370 46445.0/ PLOG/ 0.1000 1.650E+054 -13.400 50330.0/ PLOG/ 1.0000 1.810E+055 -13.310 53132.0/ PLOG/ 10.0000 4.580E+049 -11.320 52714.0/ PLOG/ 20.0000 4.110E+046 -10.330 51834.0/ PLOG/ 50.0000 6.680E+041 -8.830 50202.0/ PLOG/ 100.0000 6.540E+037 -7.580 48697.0/ SC2H4OH<=>PC2H4OH 2.650E+036 -8.860 51019.0 PLOG/ 0.0010 2.650E+036 -8.860 51019.0/ PLOG/ 0.0100 3.560E+037 -8.890 51114.0/ PLOG/ 0.1000 4.140E+039 -9.190 51912.0/ PLOG/ 1.0000 5.820E+044 -10.340 55296.0/ PLOG/ 10.0000 4.260E+048 -11.060 59458.0/ PLOG/ 20.0000 8.840E+047 -10.740 59901.0/ PLOG/ 50.0000 2.230E+045 -9.840 59604.0/ PLOG/ 100.0000 1.700E+042 -8.830 58737.0/ O2C2H4OH<=>PC2H4OH+O2 3.900E+016 -1.000 30000.0 O2C2H4OH=>OH+CH2O+CH2O 3.125E+009 0.000 18900.0 SC2H4OH+O2<=>CH3CHO+HO2 5.260E+017 -1.638 869.0 PLOG/ 0.0100 5.260E+017 -1.637 838.0/ PLOG/ 0.1000 5.260E+017 -1.637 838.0/ PLOG/ 1.0000 5.280E+017 -1.638 839.0/ PLOG/ 10.0000 1.540E+018 -1.771 1120.0/ PLOG/ 100.0000 3.780E+020 -2.429 3090.0/ SC2H4OH+O2<=>C2H3OH+HO2 5.512E+003 2.495 -414.0 PLOG/ 0.0100 5.120E+002 2.496 -414.0/ PLOG/ 0.1000 5.330E+002 2.490 -402.0/ PLOG/ 1.0000 7.620E+002 2.446 -296.0/ PLOG/ 10.0000 8.920E+003 2.146 470.0/ PLOG/ 100.0000 4.380E+005 1.699 2330.0/ CH3COCH3<=>CH3CO+CH3 2.050E+058 -12.796 100030.1 PLOG/ 0.0100 2.050E+058 -12.796 100030.1/ PLOG/ 0.1000 3.300E+051 -10.574 98221.2/ PLOG/ 1.0000 1.310E+042 -7.657 94660.6/ PLOG/ 10.0000 2.160E+033 -4.989 90916.5/ PLOG/ 100.0000 9.400E+028 -3.669 89022.8/ CH3COCH3+OH<=>CH3COCH2+H2O 1.250E+005 2.483 445.0 CH3COCH3+H<=>CH3COCH2+H2 9.800E+005 2.430 5160.0 CH3COCH3+O<=>CH3COCH2+OH 5.130E+011 0.211 4890.0 CH3COCH3+CH3<=>CH3COCH2+CH4 3.960E+011 0.000 9784.0 CH3COCH3+CH3O<=>CH3COCH2+CH3OH 4.340E+011 0.000 6460.0 CH3COCH3+O2<=>CH3COCH2+HO2 6.030E+013 0.000 48500.0 CH3COCH3+HO2<=>CH3COCH2+H2O2 1.700E+013 0.000 20460.0 CH3COCH3+CH3O2<=>CH3COCH2+CH3O2H 1.700E+013 0.000 20460.0 CH2CO+CH3<=>CH3COCH2 1.760E+004 2.480 6130.0 C2H3+HCO<=>C2H3CHO 1.810E+013 0.000 0.0 C2H3CHO+H<=>C2H3CO+H2 1.340E+013 0.000 3300.0 C2H3CHO+O<=>C2H3CO+OH 5.940E+012 0.000 1868.0 C2H3CHO+OH<=>C2H3CO+H2O 9.240E+006 1.500 -962.0 C2H3CHO+O2<=>C2H3CO+HO2 1.005E+013 0.000 40700.0 C2H3CHO+HO2<=>C2H3CO+H2O2 3.010E+012 0.000 11920.0 C2H3CHO+CH3<=>C2H3CO+CH4 2.608E+006 1.780 5911.0 C2H3CHO+C2H3<=>C2H3CO+C2H4 1.740E+012 0.000 8440.0 C2H3CHO+CH3O<=>C2H3CO+CH3OH 1.000E+012 0.000 3300.0 C2H3CHO+CH3O2<=>C2H3CO+CH3O2H 3.010E+012 0.000 11920.0 C2H3+CO<=>C2H3CO 1.510E+011 0.000 4810.0 C2H5+HCO<=>C2H5CHO 1.810E+013 0.000 0.0 C2H5CHO+H<=>C2H5CO+H2 4.000E+013 0.000 4200.0 C2H5CHO+O<=>C2H5CO+OH 5.000E+012 0.000 1790.0 C2H5CHO+OH<=>C2H5CO+H2O 2.690E+010 0.760 -340.0 C2H5CHO+CH3<=>C2H5CO+CH4 2.608E+006 1.780 5911.0 C2H5CHO+HO2<=>C2H5CO+H2O2 2.800E+012 0.000 13600.0 C2H5CHO+CH3O<=>C2H5CO+CH3OH 1.000E+012 0.000 3300.0 C2H5CHO+CH3O2<=>C2H5CO+CH3O2H 3.010E+012 0.000 11920.0 C2H5CHO+C2H5<=>C2H5CO+C2H6 1.000E+012 0.000 8000.0 C2H5CHO+C2H5O<=>C2H5CO+C2H5OH 6.026E+011 0.000 3300.0 C2H5CHO+C2H5O2<=>C2H5CO+C2H5O2H 3.010E+012 0.000 11920.0 C2H5CHO+O2<=>C2H5CO+HO2 1.005E+013 0.000 40700.0 C2H5CHO+CH3CO3<=>C2H5CO+CH3CO3H 3.010E+012 0.000 11920.0 C2H5CHO+C2H3<=>C2H5CO+C2H4 1.700E+012 0.000 8440.0 C2H5+CO<=>C2H5CO 1.510E+011 0.000 4810.0 CH3OCH3(+M)<=>CH3+CH3O(+M) 4.380E+021 -1.570 83890.0 LOW/ 7.520E+015 0.000 42790.0/ TROE/ 4.540E-001 1.000E-030 2.510E+003/ CH3OCH3+OH<=>CH3OCH2+H2O 6.324E+006 2.000 -651.7 CH3OCH3+H<=>CH3OCH2+H2 7.721E+006 2.090 3384.0 CH3OCH3+O<=>CH3OCH2+OH 7.750E+008 1.360 2250.0 CH3OCH3+HO2<=>CH3OCH2+H2O2 8.670E+002 3.010 12090.0 CH3OCH3+CH3O2<=>CH3OCH2+CH3O2H 3.120E+002 3.120 13190.0 CH3OCH3+CH3<=>CH3OCH2+CH4 1.445E-006 5.730 5700.0 CH3OCH3+O2<=>CH3OCH2+HO2 4.100E+013 0.000 44910.0 CH3OCH3+CH3O<=>CH3OCH2+CH3OH 6.020E+011 0.000 4074.0 CH3OCH3+O2CHO<=>CH3OCH2+HO2CHO 4.425E+004 2.600 13910.0 CH3OCH3+OCHO<=>CH3OCH2+HOCHO 1.000E+013 0.000 17690.0 CH3OCH2<=>CH2O+CH3 1.600E+013 0.000 25500.0 CH3OCH2+CH3O<=>CH3OCH3+CH2O 2.410E+013 0.000 0.0 CH3OCH2+CH2O<=>CH3OCH3+HCO 5.490E+003 2.800 5862.0 CH3OCH2+CH3CHO<=>CH3OCH3+CH3CO 1.260E+012 0.000 8499.0 CH3O+CH2O<=>CH3OCH2O 1.000E+011 0.000 7960.0 CH3OCH2O+O2<=>CH3OCHO+HO2 5.000E+010 0.000 500.0 CH3OCHO+H<=>CH3OCH2O 1.000E+013 0.000 7838.0 CH2O+OCHO<=>OCH2OCHO 1.250E+011 0.000 11900.0 OCH2OCHO<=>HOCH2OCO 1.000E+011 0.000 14000.0 HOCH2O+CO<=>HOCH2OCO 1.500E+011 0.000 4800.0 CH2OH+CO2<=>HOCH2OCO 1.500E+011 0.000 35720.0 CH2OCHO+H<=>CH3OCHO 1.000E+014 0.000 0.0 CH3OCO+H<=>CH3OCHO 1.000E+014 0.000 0.0 CH3OCHO(+M)<=>CH3OH+CO(+M) 1.000E+014 0.000 62500.0 LOW/ 6.143E+060 -12.070 75400.0/ TROE/ 7.800E-001 8.280E+009 4.389E+002 6.700E+008/ CH3O+HCO<=>CH3OCHO 3.000E+013 0.000 0.0 CH3+OCHO<=>CH3OCHO 1.000E+013 0.000 0.0 CH3OCHO+O2<=>CH3OCO+HO2 1.000E+013 0.000 49700.0 CH3OCHO+O2<=>CH2OCHO+HO2 2.050E+013 0.000 52000.0 CH3OCHO+OH<=>CH3OCO+H2O 1.580E+007 1.800 934.0 CH3OCHO+OH<=>CH2OCHO+H2O 5.270E+009 0.970 1586.0 CH3OCHO+HO2<=>CH3OCO+H2O2 4.820E+003 2.600 13910.0 CH3OCHO+HO2<=>CH2OCHO+H2O2 2.380E+004 2.550 16490.0 CH3OCHO+O<=>CH3OCO+OH 2.755E+005 2.450 2830.0 CH3OCHO+O<=>CH2OCHO+OH 9.800E+005 2.430 4750.0 CH3OCHO+H<=>CH3OCO+H2 6.500E+005 2.400 4471.0 CH3OCHO+H<=>CH2OCHO+H2 6.650E+005 2.540 6756.0 CH3OCHO+CH3<=>CH3OCO+CH4 7.550E-001 3.460 5481.0 CH3OCHO+CH3<=>CH2OCHO+CH4 4.520E-001 3.650 7154.0 CH3OCHO+CH3O<=>CH3OCO+CH3OH 5.480E+011 0.000 5000.0 CH3OCHO+CH3O<=>CH2OCHO+CH3OH 2.170E+011 0.000 6458.0 CH3OCHO+CH3O2<=>CH3OCO+CH3O2H 4.820E+003 2.600 13910.0 CH3OCHO+CH3O2<=>CH2OCHO+CH3O2H 2.380E+004 2.550 16490.0 CH3OCHO+HCO<=>CH3OCO+CH2O 5.400E+006 1.900 17010.0 CH3OCHO+HCO<=>CH2OCHO+CH2O 1.025E+005 2.500 18430.0 CH3OCO<=>CH2OCHO 1.629E+012 -0.180 40670.0 CH3+CO2<=>CH3OCO 4.760E+007 1.540 34700.0 CH3O+CO<=>CH3OCO 1.550E+006 2.020 5730.0 CH2O+HCO<=>CH2OCHO 1.500E+011 0.000 11900.0 C3H8(+M)<=>CH3+C2H5(+M) 1.290E+037 -5.840 97380.0 LOW/ 5.640E+074 -15.740 98714.0/ TROE/ 3.100E-001 5.000E+001 3.000E+003 9.000E+003/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ NC3H7+H<=>C3H8 1.000E+014 0.000 0.0 IC3H7+H<=>C3H8 1.000E+014 0.000 0.0 C3H8+O2<=>IC3H7+HO2 2.000E+013 0.000 49640.0 C3H8+O2<=>NC3H7+HO2 6.000E+013 0.000 52290.0 H+C3H8<=>H2+IC3H7 1.300E+006 2.400 4471.0 H+C3H8<=>H2+NC3H7 3.490E+005 2.690 6450.0 C3H8+O<=>IC3H7+OH 5.490E+005 2.500 3140.0 C3H8+O<=>NC3H7+OH 3.710E+006 2.400 5505.0 C3H8+OH<=>NC3H7+H2O 1.054E+010 0.970 1586.0 C3H8+OH<=>IC3H7+H2O 4.670E+007 1.610 -35.0 C3H8+HO2<=>IC3H7+H2O2 6.320E+001 3.370 13720.0 C3H8+HO2<=>NC3H7+H2O2 4.080E+001 3.590 17160.0 CH3+C3H8<=>CH4+IC3H7 6.400E+004 2.170 7520.0 CH3+C3H8<=>CH4+NC3H7 9.040E-001 3.650 7154.0 IC3H7+C3H8<=>NC3H7+C3H8 3.000E+010 0.000 12900.0 C2H3+C3H8<=>C2H4+IC3H7 1.000E+011 0.000 10400.0 C2H3+C3H8<=>C2H4+NC3H7 1.000E+011 0.000 10400.0 C2H5+C3H8<=>C2H6+IC3H7 1.000E+011 0.000 10400.0 C2H5+C3H8<=>C2H6+NC3H7 1.000E+011 0.000 10400.0 C3H8+C3H5-A<=>NC3H7+C3H6 7.940E+011 0.000 20500.0 C3H8+C3H5-A<=>IC3H7+C3H6 7.940E+011 0.000 16200.0 C3H8+CH3O<=>NC3H7+CH3OH 3.000E+011 0.000 7000.0 C3H8+CH3O<=>IC3H7+CH3OH 3.000E+011 0.000 7000.0 CH3O2+C3H8<=>CH3O2H+NC3H7 1.386E+000 3.970 18280.0 CH3O2+C3H8<=>CH3O2H+IC3H7 1.019E+001 3.580 14810.0 C2H5O2+C3H8<=>C2H5O2H+NC3H7 1.386E+000 3.970 18280.0 C2H5O2+C3H8<=>C2H5O2H+IC3H7 1.019E+001 3.580 14810.0 C3H8+CH3CO3<=>IC3H7+CH3CO3H 2.000E+012 0.000 17000.0 C3H8+CH3CO3<=>NC3H7+CH3CO3H 1.700E+013 0.000 20460.0 C3H8+O2CHO<=>NC3H7+HO2CHO 5.520E+004 2.550 16480.0 C3H8+O2CHO<=>IC3H7+HO2CHO 1.475E+004 2.600 13910.0 H+C3H6<=>IC3H7 4.240E+011 0.510 1230.0 IC3H7+H<=>C2H5+CH3 2.000E+013 0.000 0.0 IC3H7+O2<=>C3H6+HO2 4.500E-019 0.000 5020.0 IC3H7+OH<=>C3H6+H2O 2.410E+013 0.000 0.0 IC3H7+O<=>CH3COCH3+H 4.818E+013 0.000 0.0 IC3H7+O<=>CH3CHO+CH3 4.818E+013 0.000 0.0 CH3+C2H4<=>NC3H7 1.760E+004 2.480 6130.0 H+C3H6<=>NC3H7 2.500E+011 0.510 2620.0 NC3H7+O2<=>C3H6+HO2 3.000E-019 0.000 3000.0 C2H5CHO+NC3H7<=>C2H5CO+C3H8 1.700E+012 0.000 8440.0 C2H5CHO+IC3H7<=>C2H5CO+C3H8 1.700E+012 0.000 8440.0 C2H5CHO+C3H5-A<=>C2H5CO+C3H6 1.700E+012 0.000 8440.0 C2H3+CH3(+M)<=>C3H6(+M) 2.500E+013 0.000 0.0 LOW/ 4.270E+058 -11.940 9769.8/ TROE/ 1.750E-001 1.341E+003 6.000E+004 1.014E+004/ C3H5-A+H(+M)<=>C3H6(+M) 2.000E+014 0.000 0.0 LOW/ 1.330E+060 -12.000 5967.8/ TROE/ 2.000E-002 1.097E+003 1.097E+003 6.860E+003/ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/ C3H6<=>C3H5-S+H 7.710E+069 -16.090 140000.0 C3H6<=>C3H5-T+H 5.620E+071 -16.580 139300.0 C3H6+O<=>C2H5+HCO 1.580E+007 1.760 -1216.0 C3H6+O=>CH2CO+CH3+H 2.500E+007 1.760 76.0 C3H6+O=>CH3CHCO+H+H 2.500E+007 1.760 76.0 C3H6+O<=>C3H5-A+OH 5.240E+011 0.700 5884.0 C3H6+O<=>C3H5-S+OH 1.200E+011 0.700 8959.0 C3H6+O<=>C3H5-T+OH 6.030E+010 0.700 7632.0 C3H6+OH<=>C3H5-A+H2O 1.970E+006 2.200 540.0 C3H6+OH<=>C3H5-S+H2O 2.110E+006 2.000 2778.0 C3H6+OH<=>C3H5-T+H2O 1.110E+006 2.000 1451.0 C3H6+HO2<=>C3H5-A+H2O2 2.700E+004 2.500 12340.0 C3H6+HO2<=>C3H5-S+H2O2 1.800E+004 2.500 27620.0 C3H6+HO2<=>C3H5-T+H2O2 9.000E+003 2.500 23590.0 C3H6+H<=>C3H5-A+H2 1.730E+005 2.500 2492.0 C3H6+H<=>C3H5-S+H2 8.040E+005 2.500 12280.0 C3H6+H<=>C3H5-T+H2 4.050E+005 2.500 9794.0 C3H6+H<=>C2H4+CH3 8.800E+016 -1.050 6461.0 PLOG/ 0.1000 8.800E+016 -1.050 6461.0/ PLOG/ 1.0000 8.000E+021 -2.390 11180.0/ PLOG/ 10.0000 3.300E+024 -3.040 15610.0/ C3H6+O2<=>C3H5-A+HO2 4.000E+012 0.000 39900.0 C3H6+O2<=>C3H5-S+HO2 2.000E+012 0.000 62900.0 C3H6+O2<=>C3H5-T+HO2 1.400E+012 0.000 60700.0 C3H6+CH3<=>C3H5-A+CH4 2.210E+000 3.500 5675.0 C3H6+CH3<=>C3H5-S+CH4 1.348E+000 3.500 12850.0 C3H6+CH3<=>C3H5-T+CH4 8.400E-001 3.500 11660.0 C3H6+C2H5<=>C3H5-A+C2H6 1.000E+011 0.000 9800.0 C3H6+CH3CO3<=>C3H5-A+CH3CO3H 3.240E+011 0.000 14900.0 C3H6+CH3O2<=>C3H5-A+CH3O2H 3.240E+011 0.000 14900.0 C3H6+C2H5O2<=>C3H5-A+C2H5O2H 3.240E+011 0.000 14900.0 C3H6+OH<=>C3H6OH 9.930E+011 0.000 -960.0 C2H2+CH3<=>C3H5-A 8.200E+053 -13.320 33200.0 PLOG/ 0.1000 8.200E+053 -13.320 33200.0/ PLOG/ 1.0000 2.680E+053 -12.820 35730.0/ PLOG/ 2.0000 3.640E+052 -12.460 36127.0/ PLOG/ 5.0000 1.040E+051 -11.890 36476.0/ PLOG/ 10.0000 4.400E+049 -11.400 36700.0/ PLOG/ 100.0000 3.800E+044 -9.630 37600.0/ C3H4-A+H<=>C3H5-A 9.600E+061 -14.670 26000.0 PLOG/ 0.1000 9.600E+061 -14.670 26000.0/ PLOG/ 1.0000 1.520E+059 -13.540 26949.0/ PLOG/ 2.0000 3.780E+057 -12.980 26785.0/ PLOG/ 5.0000 7.340E+054 -12.090 26187.0/ PLOG/ 10.0000 2.400E+052 -11.300 25400.0/ PLOG/ 100.0000 6.900E+041 -8.060 21300.0/ C3H5-A+HO2<=>C3H5O+OH 7.000E+012 0.000 -1000.0 C3H5-A+CH3O2<=>C3H5O+CH3O 7.000E+012 0.000 -1000.0 C3H5-A+H<=>C3H4-A+H2 1.232E+003 3.035 2582.0 C3H5-A+O<=>C2H3CHO+H 6.000E+013 0.000 0.0 C3H5-A+OH=>C2H3CHO+H+H 5.300E+037 -6.710 29306.0 PLOG/ 0.1000 5.300E+037 -6.710 29306.0/ PLOG/ 1.0000 4.200E+032 -5.160 30126.0/ PLOG/ 10.0000 1.600E+020 -1.560 26330.0/ C3H5-A+OH<=>C3H4-A+H2O 6.000E+012 0.000 0.0 C3H5-A+CH3<=>C3H4-A+CH4 3.000E+012 -0.320 -131.0 C3H5-A+C2H5<=>C2H6+C3H4-A 4.000E+011 0.000 0.0 C3H5-A+C2H5<=>C2H4+C3H6 4.000E+011 0.000 0.0 C3H5-A+C2H3<=>C2H4+C3H4-A 1.000E+012 0.000 0.0 C3H5-A+C3H5-A<=>C3H4-A+C3H6 8.430E+010 0.000 -262.0 C3H5-A+O2<=>C3H4-A+HO2 4.990E+015 -1.400 22428.0 PLOG/ 1.0000 4.990E+015 -1.400 22428.0/ PLOG/ 10.0000 2.180E+021 -2.850 30755.0/ C3H5-A+O2<=>CH3CO+CH2O 1.190E+015 -1.010 20128.0 PLOG/ 1.0000 1.190E+015 -1.010 20128.0/ PLOG/ 10.0000 7.140E+015 -1.210 21046.0/ C3H5-A+O2<=>C2H3CHO+OH 1.820E+013 -0.410 22859.0 PLOG/ 1.0000 1.820E+013 -0.410 22859.0/ PLOG/ 10.0000 2.470E+013 -0.450 23017.0/ C3H5-A+HCO<=>C3H6+CO 6.000E+013 0.000 0.0 C2H3+CH3<=>C3H5-A+H 1.500E+024 -2.830 18618.0 C3H5-A<=>C3H5-T 3.900E+059 -15.420 75400.0 PLOG/ 0.1000 3.900E+059 -15.420 75400.0/ PLOG/ 1.0000 7.060E+056 -14.080 75868.0/ PLOG/ 2.0000 4.800E+055 -13.590 75949.0/ PLOG/ 5.0000 4.860E+053 -12.810 75883.0/ PLOG/ 10.0000 6.400E+051 -12.120 75700.0/ PLOG/ 100.0000 2.800E+043 -9.270 74000.0/ C3H5-A<=>C3H5-S 1.300E+055 -14.530 73800.0 PLOG/ 0.1000 1.300E+055 -14.530 73800.0/ PLOG/ 1.0000 5.000E+051 -13.020 73300.0/ PLOG/ 10.0000 9.700E+048 -11.730 73700.0/ PLOG/ 100.0000 4.860E+044 -9.840 73400.0/ C2H2+CH3<=>C3H5-S 1.400E+032 -7.140 10000.0 PLOG/ 0.1000 1.400E+032 -7.140 10000.0/ PLOG/ 1.0000 3.200E+035 -7.760 13300.0/ PLOG/ 10.0000 2.400E+038 -8.210 17100.0/ PLOG/ 100.0000 1.400E+039 -8.060 20200.0/ C3H5-S+O2<=>CH3CHO+HCO 1.000E+011 0.000 0.0 C3H5-S+H<=>C3H4-A+H2 3.333E+012 0.000 0.0 C3H5-S+CH3<=>C3H4-A+CH4 1.000E+011 0.000 0.0 C2H2+CH3<=>C3H5-T 6.800E+020 -4.160 18000.0 PLOG/ 0.1000 6.800E+020 -4.160 18000.0/ PLOG/ 1.0000 4.990E+022 -4.390 18850.0/ PLOG/ 2.0000 6.000E+023 -4.600 19571.0/ PLOG/ 5.0000 7.310E+025 -5.060 21150.0/ PLOG/ 10.0000 9.300E+027 -5.550 22900.0/ PLOG/ 100.0000 3.800E+036 -7.580 31300.0/ C3H4-A+H<=>C3H5-T 9.200E+038 -8.650 7000.0 PLOG/ 0.1000 9.200E+038 -8.650 7000.0/ PLOG/ 1.0000 9.460E+042 -9.430 11190.0/ PLOG/ 2.0000 8.470E+043 -9.590 12462.0/ PLOG/ 5.0000 6.980E+044 -9.700 14032.0/ PLOG/ 10.0000 1.500E+045 -9.690 15100.0/ PLOG/ 100.0000 1.800E+043 -8.780 16800.0/ C3H4-P+H<=>C3H5-T 4.600E+044 -10.210 10200.0 PLOG/ 0.1000 4.600E+044 -10.210 10200.0/ PLOG/ 1.0000 1.660E+047 -10.580 13690.0/ PLOG/ 2.0000 5.040E+047 -10.610 14707.0/ PLOG/ 5.0000 9.620E+047 -10.550 15910.0/ PLOG/ 10.0000 7.000E+047 -10.400 16600.0/ PLOG/ 100.0000 3.200E+044 -9.110 17400.0/ C3H5-S+H<=>C3H4-P+H2 3.340E+012 0.000 0.0 C3H5-S+O<=>C2H4+HCO 6.000E+013 0.000 0.0 C3H5-S+OH=>C2H4+HCO+H 5.000E+012 0.000 0.0 C3H5-S+HO2=>C2H4+HCO+OH 2.000E+013 0.000 0.0 C3H5-S+HCO<=>C3H6+CO 9.000E+013 0.000 0.0 C3H5-S+CH3<=>C3H4-P+CH4 1.000E+011 0.000 0.0 C3H5-T<=>C3H5-S 1.600E+044 -12.160 52200.0 PLOG/ 0.1000 1.600E+044 -12.160 52200.0/ PLOG/ 1.0000 1.500E+048 -12.710 53900.0/ PLOG/ 10.0000 5.100E+052 -13.370 57200.0/ PLOG/ 100.0000 5.800E+051 -12.430 59200.0/ C3H4-A+H<=>C3H5-S 1.100E+030 -6.520 15200.0 PLOG/ 0.1000 1.100E+030 -6.520 15200.0/ PLOG/ 1.0000 5.400E+029 -6.090 16300.0/ PLOG/ 10.0000 2.600E+031 -6.230 18700.0/ PLOG/ 100.0000 3.200E+031 -5.880 21500.0/ C3H4-A+C3H4-A<=>C3H5-A+C3H3 5.000E+014 0.000 64746.7 C3H5-T+O2<=>C3H4-A+HO2 1.890E+030 -5.590 15540.0 C3H5-T+O2<=>CH3COCH2+O 3.810E+017 -1.360 5580.0 C3H5-T+O2<=>CH3CO+CH2O 1.000E+011 0.000 0.0 C3H5-T+H<=>C3H4-P+H2 3.340E+012 0.000 0.0 C3H5-T+CH3<=>C3H4-P+CH4 1.000E+011 0.000 0.0 C3H5-T+O<=>CH3+CH2CO 6.000E+013 0.000 0.0 C3H5-T+OH=>CH3+CH2CO+H 5.000E+012 0.000 0.0 C3H5-T+HO2=>CH3+CH2CO+OH 2.000E+013 0.000 0.0 C3H5-T+HCO<=>C3H6+CO 9.000E+013 0.000 0.0 C3H4-P<=>C3H4-A 6.400E+061 -14.590 88200.0 PLOG/ 0.1000 6.400E+061 -14.590 88200.0/ PLOG/ 0.4000 5.810E+062 -14.630 91211.0/ PLOG/ 1.0000 5.150E+060 -13.930 91117.0/ PLOG/ 2.0000 7.640E+059 -13.590 91817.0/ PLOG/ 5.0000 3.120E+058 -13.070 92680.0/ PLOG/ 10.0000 1.900E+057 -12.620 93300.0/ PLOG/ 100.0000 1.400E+052 -10.860 95400.0/ C3H3+HO2<=>C3H4-A+O2 3.000E+011 0.000 0.0 C3H4-A+HO2=>CH2CO+CH2+OH 4.000E+012 0.000 19000.0 C3H4-A+OH<=>CH2CO+CH3 3.120E+012 0.000 -397.0 C3H4-A+OH<=>C3H3+H2O 5.300E+006 2.000 2000.0 C3H4-A+O<=>C2H4+CO 2.000E+007 1.800 1000.0 C3H4-A+O<=>C2H2+CH2O 3.000E-003 4.610 -4243.0 C3H4-A+H<=>C3H3+H2 1.300E+006 2.000 5500.0 C3H4-A+CH3<=>C3H3+CH4 1.300E+012 0.000 7700.0 C3H4-A+C3H5-A<=>C3H3+C3H6 2.000E+011 0.000 7700.0 C3H4-A+C2H<=>C2H2+C3H3 1.000E+013 0.000 0.0 C3H4-P<=>CC3H4 3.400E+046 -10.970 68900.0 PLOG/ 0.1000 3.400E+046 -10.970 68900.0/ PLOG/ 0.4000 2.840E+045 -10.450 69284.0/ PLOG/ 1.0000 1.200E+044 -9.920 69250.0/ PLOG/ 2.0000 5.470E+042 -9.430 69089.0/ PLOG/ 5.0000 3.920E+040 -8.690 68706.0/ PLOG/ 10.0000 5.300E+038 -8.060 68300.0/ PLOG/ 100.0000 2.800E+031 -5.690 66400.0/ C3H4-P+H<=>C3H4-A+H 2.300E+015 -0.260 7600.0 PLOG/ 0.1000 2.300E+015 -0.260 7600.0/ PLOG/ 1.0000 6.270E+017 -0.910 10079.0/ PLOG/ 2.0000 1.500E+018 -1.000 10756.0/ PLOG/ 5.0000 1.930E+018 -1.010 11523.0/ PLOG/ 10.0000 3.100E+022 -2.180 14800.0/ PLOG/ 100.0000 6.400E+027 -3.580 21200.0/ C3H4-P+H<=>C3H5-S 1.000E+025 -5.000 1800.0 PLOG/ 0.1000 1.000E+025 -5.000 1800.0/ PLOG/ 1.0000 5.500E+028 -5.740 4300.0/ PLOG/ 10.0000 1.000E+034 -6.880 8900.0/ PLOG/ 100.0000 9.700E+037 -7.630 13800.0/ C3H4-P+H<=>C3H5-A 1.100E+060 -14.560 28100.0 PLOG/ 0.1000 1.100E+060 -14.560 28100.0/ PLOG/ 1.0000 4.910E+060 -14.370 31644.0/ PLOG/ 2.0000 3.040E+060 -14.190 32642.0/ PLOG/ 5.0000 9.020E+059 -13.890 33953.0/ PLOG/ 10.0000 2.200E+059 -13.610 34900.0/ PLOG/ 100.0000 1.600E+055 -12.070 37500.0/ C3H4-P+H<=>C3H3+H2 1.300E+006 2.000 5500.0 C3H4-P+C3H3<=>C3H4-A+C3H3 6.140E+006 1.740 10450.0 C3H4-P+O<=>HCCO+CH3 7.300E+012 0.000 2250.0 C3H4-P+O<=>C2H4+CO 1.000E+013 0.000 2250.0 C3H4-P+OH<=>C3H3+H2O 1.000E+006 2.000 100.0 C3H4-P+C2H<=>C2H2+C3H3 1.000E+013 0.000 0.0 C3H4-P+CH3<=>C3H3+CH4 1.800E+012 0.000 7700.0 C2H2+CH3<=>C3H4-P+H 4.500E+006 1.860 11600.0 PLOG/ 0.1000 4.500E+006 1.860 11600.0/ PLOG/ 1.0000 2.560E+009 1.100 13644.0/ PLOG/ 2.0000 2.070E+010 0.850 14415.0/ PLOG/ 5.0000 2.510E+011 0.560 15453.0/ PLOG/ 10.0000 1.100E+012 0.390 16200.0/ PLOG/ 100.0000 2.100E+012 0.370 18100.0/ CC3H4<=>C3H4-A 2.300E+039 -8.810 47800.0 PLOG/ 0.1000 2.300E+039 -8.810 47800.0/ PLOG/ 0.4000 7.590E+040 -9.070 48831.0/ PLOG/ 1.0000 4.890E+041 -9.170 49594.0/ PLOG/ 2.0000 8.810E+041 -9.150 50073.0/ PLOG/ 5.0000 4.330E+041 -8.930 50475.0/ PLOG/ 10.0000 7.200E+040 -8.600 50600.0/ PLOG/ 100.0000 1.600E+035 -6.640 49500.0/ C3H3+H<=>C3H4-P 1.500E+013 0.000 0.0 C3H3+H<=>C3H4-A 2.500E+012 0.000 0.0 C2H+CH3<=>C3H4-P 8.000E+013 0.000 0.0 C3H3+HO2<=>C3H4-P+O2 2.500E+012 0.000 0.0 C3H4-P+HO2=>C2H4+CO+OH 3.000E+012 0.000 19000.0 C3H4-P+OH<=>CH2CO+CH3 5.000E-004 4.500 -1000.0 C3H4-P+O<=>C2H3+HCO 3.200E+012 0.000 2010.0 C3H4-P+O<=>C3H3+OH 7.650E+008 1.500 8600.0 C3H4-P+C2H3<=>C3H3+C2H4 1.000E+012 0.000 7700.0 C3H4-P+C3H5-A<=>C3H3+C3H6 1.000E+012 0.000 7700.0 C3H3+O<=>CH2O+C2H 2.000E+013 0.000 0.0 C3H3+O2<=>CH2CO+HCO 3.000E+010 0.000 2868.0 C3H3+HO2=>OH+CO+C2H3 8.000E+011 0.000 0.0 C3H3+HCO<=>C3H4-A+CO 2.500E+013 0.000 0.0 C3H3+HCO<=>C3H4-P+CO 2.500E+013 0.000 0.0 C2H5+C2H<=>C3H3+CH3 1.810E+013 0.000 0.0 C3H4-A+HO2=>C2H4+CO+OH 1.000E+012 0.000 14000.0 C3H4-A+HO2<=>C3H3+H2O2 3.000E+013 0.000 14000.0 C2H2+CH3<=>C3H4-A+H 2.400E+009 0.910 20700.0 PLOG/ 0.1000 2.400E+009 0.910 20700.0/ PLOG/ 1.0000 5.140E+009 0.860 22153.0/ PLOG/ 2.0000 1.330E+010 0.750 22811.0/ PLOG/ 5.0000 9.200E+010 0.540 23950.0/ PLOG/ 10.0000 5.100E+011 0.350 25000.0/ PLOG/ 100.0000 7.300E+012 0.110 28500.0/ CH3CHCO+OH<=>C2H5+CO2 1.730E+012 0.000 -1010.0 CH3CHCO+OH<=>SC2H4OH+CO 2.000E+012 0.000 -1010.0 CH3CHCO+H<=>C2H5+CO 4.400E+012 0.000 1459.0 CH3CHCO+O<=>CH3CHO+CO 3.200E+012 0.000 -437.0 NC3H7+HO2<=>NC3H7O+OH 7.000E+012 0.000 -1000.0 IC3H7+HO2<=>IC3H7O+OH 7.000E+012 0.000 -1000.0 CH3O2+NC3H7<=>CH3O+NC3H7O 7.000E+012 0.000 -1000.0 CH3O2+IC3H7<=>CH3O+IC3H7O 7.000E+012 0.000 -1000.0 NC3H7+O2<=>NC3H7O2 4.520E+012 0.000 0.0 IC3H7+O2<=>IC3H7O2 7.540E+012 0.000 0.0 NC3H7O2+CH3O2=>NC3H7O+CH3O+O2 1.400E+016 -1.610 1860.0 IC3H7O2+CH3O2=>IC3H7O+CH3O+O2 1.400E+016 -1.610 1860.0 IC3H7O2+CH3CO3=>IC3H7O+CH3CO2+O2 1.400E+016 -1.610 1860.0 NC3H7O2+CH3CO3=>NC3H7O+CH3CO2+O2 1.400E+016 -1.610 1860.0 IC3H7O2+C2H5O2=>IC3H7O+C2H5O+O2 1.400E+016 -1.610 1860.0 NC3H7O2+C2H5O2=>NC3H7O+C2H5O+O2 1.400E+016 -1.610 1860.0 IC3H7O2+IC3H7O2=>O2+IC3H7O+IC3H7O 1.400E+016 -1.610 1860.0 NC3H7O2+NC3H7O2=>O2+NC3H7O+NC3H7O 1.400E+016 -1.610 1860.0 IC3H7O2+NC3H7O2=>IC3H7O+NC3H7O+O2 1.400E+016 -1.610 1860.0 IC3H7O2+CH3<=>IC3H7O+CH3O 7.000E+012 0.000 -1000.0 IC3H7O2+C2H5<=>IC3H7O+C2H5O 7.000E+012 0.000 -1000.0 IC3H7O2+IC3H7<=>IC3H7O+IC3H7O 7.000E+012 0.000 -1000.0 IC3H7O2+NC3H7<=>IC3H7O+NC3H7O 7.000E+012 0.000 -1000.0 IC3H7O2+C3H5-A<=>IC3H7O+C3H5O 7.000E+012 0.000 -1000.0 NC3H7O2+CH3<=>NC3H7O+CH3O 7.000E+012 0.000 -1000.0 NC3H7O2+C2H5<=>NC3H7O+C2H5O 7.000E+012 0.000 -1000.0 NC3H7O2+IC3H7<=>NC3H7O+IC3H7O 7.000E+012 0.000 -1000.0 NC3H7O2+NC3H7<=>NC3H7O+NC3H7O 7.000E+012 0.000 -1000.0 NC3H7O2+C3H5-A<=>NC3H7O+C3H5O 7.000E+012 0.000 -1000.0 C2H5+CH2O<=>NC3H7O 1.000E+011 0.000 3496.0 C2H5CHO+H<=>NC3H7O 4.000E+012 0.000 6260.0 CH3+CH3CHO<=>IC3H7O 1.000E+011 0.000 9256.0 CH3COCH3+H<=>IC3H7O 2.000E+012 0.000 7270.0 IC3H7O+O2<=>CH3COCH3+HO2 9.090E+009 0.000 390.0 C3H5O+OH<=>AC3H5OOH 2.000E+013 0.000 0.0 C3H5O<=>C2H3CHO+H 1.000E+014 0.000 29100.0 C2H3+CH2O<=>C3H5O 1.500E+011 0.000 10600.0 C3H5O+O2<=>C2H3CHO+HO2 1.000E+012 0.000 6000.0 C2H3OOH<=>CH2CHO+OH 8.400E+014 0.000 43000.0 IC3H7O2<=>C3H6+HO2 1.196E+043 -9.430 41530.0 NC3H7O2<=>C3H6+HO2 4.308E+036 -7.500 39510.0 C4H10(+M)<=>C2H5+C2H5(+M) 1.355E+037 -6.036 92929.0 LOW/ 4.720E+018 0.000 49578.0/ TROE/ 7.998E-002 1.000E-020 3.243E+004 4.858E+003/ C4H10(+M)<=>NC3H7+CH3(+M) 6.600E+052 -10.626 100330.0 LOW/ 5.340E+017 0.000 42959.0/ TROE/ 9.502E-002 1.000E-020 5.348E+003 4.326E+003/ PC4H9+H<=>C4H10 3.610E+013 0.000 0.0 SC4H9+H<=>C4H10 3.610E+013 0.000 0.0 C4H10+O2<=>PC4H9+HO2 6.000E+013 0.000 52340.0 C4H10+O2<=>SC4H9+HO2 4.000E+013 0.000 49800.0 C4H10+C3H5-A<=>PC4H9+C3H6 7.940E+011 0.000 20500.0 C4H10+C3H5-A<=>SC4H9+C3H6 3.160E+011 0.000 16400.0 C4H10+C2H5<=>PC4H9+C2H6 1.580E+011 0.000 12300.0 C4H10+C2H5<=>SC4H9+C2H6 1.000E+011 0.000 10400.0 C4H10+C2H3<=>PC4H9+C2H4 1.000E+012 0.000 18000.0 C4H10+C2H3<=>SC4H9+C2H4 8.000E+011 0.000 16800.0 C4H10+CH3<=>PC4H9+CH4 9.040E-001 3.650 7154.0 C4H10+CH3<=>SC4H9+CH4 3.020E+000 3.460 5481.0 C4H10+H<=>PC4H9+H2 3.490E+005 2.690 6450.0 C4H10+H<=>SC4H9+H2 2.600E+006 2.400 4471.0 C4H10+OH<=>PC4H9+H2O 1.054E+010 0.970 1586.0 C4H10+OH<=>SC4H9+H2O 9.340E+007 1.610 -35.0 C4H10+O<=>PC4H9+OH 1.130E+014 0.000 7850.0 C4H10+O<=>SC4H9+OH 5.620E+013 0.000 5200.0 C4H10+HO2<=>PC4H9+H2O2 4.080E+001 3.590 17160.0 C4H10+HO2<=>SC4H9+H2O2 1.264E+002 3.370 13720.0 C4H10+CH3O<=>PC4H9+CH3OH 3.000E+011 0.000 7000.0 C4H10+CH3O<=>SC4H9+CH3OH 6.000E+011 0.000 7000.0 C4H10+C2H5O<=>PC4H9+C2H5OH 3.000E+011 0.000 7000.0 C4H10+C2H5O<=>SC4H9+C2H5OH 6.000E+011 0.000 7000.0 C4H10+PC4H9<=>SC4H9+C4H10 1.000E+011 0.000 10400.0 C4H10+CH3CO3<=>PC4H9+CH3CO3H 1.700E+013 0.000 20460.0 C4H10+CH3CO3<=>SC4H9+CH3CO3H 1.120E+013 0.000 17700.0 C4H10+O2CHO<=>PC4H9+HO2CHO 1.680E+013 0.000 20440.0 C4H10+O2CHO<=>SC4H9+HO2CHO 1.120E+013 0.000 17690.0 CH3O2+C4H10<=>CH3O2H+PC4H9 1.386E+000 3.970 18280.0 CH3O2+C4H10<=>CH3O2H+SC4H9 2.037E+001 3.580 14810.0 C2H5O2+C4H10<=>C2H5O2H+PC4H9 4.080E+001 3.590 17160.0 C2H5O2+C4H10<=>C2H5O2H+SC4H9 1.264E+002 3.370 13720.0 PC4H9<=>SC4H9 3.560E+010 0.880 37300.0 DUP PC4H9<=>SC4H9 3.800E+010 0.670 36600.0 DUP C2H5+C2H4<=>PC4H9 1.320E+004 2.480 6130.0 C3H6+CH3<=>SC4H9 1.760E+004 2.480 6130.0 C4H8-1+H<=>PC4H9 2.500E+011 0.510 2620.0 C4H8-2+H<=>SC4H9 2.500E+011 0.510 2620.0 C4H8-1+H<=>SC4H9 4.240E+011 0.510 1230.0 PC4H9+O2<=>C4H8-1+HO2 8.370E-001 3.590 11960.0 SC4H9+O2<=>C4H8-1+HO2 5.350E-001 3.710 9322.0 SC4H9+O2<=>C4H8-2+HO2 1.070E+000 3.710 9322.0 C2H3+C2H5<=>C4H8-1 9.000E+012 0.000 0.0 C3H5-A+CH3(+M)<=>C4H8-1(+M) 1.000E+014 -0.320 -262.3 LOW/ 3.910E+060 -12.810 6250.0/ TROE/ 1.040E-001 1.606E+003 6.000E+004 6.118E+003/ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/ H+C4H71-3<=>C4H8-1 5.000E+013 0.000 0.0 C4H8-1+O2<=>C4H71-3+HO2 2.000E+013 0.000 37190.0 C4H8-1+O<=>C4H71-3+OH 1.750E+011 0.700 5884.0 C4H8-2+O<=>C4H71-3+OH 2.190E+011 0.810 7550.0 C4H8-1+H<=>C4H71-3+H2 1.730E+005 2.500 2492.0 C4H8-1+H<=>C4H71-4+H2 6.651E+005 2.540 6756.0 C4H8-1+OH<=>C4H71-1+H2O 9.000E+005 2.000 2500.0 C4H8-1+OH<=>C4H71-2+H2O 2.220E+006 2.000 1451.0 C4H8-1+OH<=>C4H71-3+H2O 3.120E+006 2.000 -298.0 C4H8-1+OH<=>C4H71-4+H2O 5.270E+009 0.970 1586.0 C4H8-1+CH3<=>C4H71-3+CH4 2.210E+000 3.500 5675.0 C4H8-1+CH3<=>C4H71-4+CH4 4.520E-001 3.650 7154.0 C4H8-1+HO2<=>C4H71-3+H2O2 2.700E+004 0.700 5884.0 C4H8-1+HO2<=>C4H71-4+H2O2 2.380E+003 2.550 16490.0 C4H8-1+CH3O2<=>C4H71-3+CH3O2H 2.700E+004 0.700 5884.0 C4H8-1+CH3O2<=>C4H71-4+CH3O2H 2.380E+003 2.550 16490.0 C4H8-1+CH3O<=>C4H71-3+CH3OH 4.000E+001 2.900 8609.0 C4H8-1+CH3O<=>C4H71-4+CH3OH 2.170E+011 0.000 6458.0 C4H8-1+CH3CO3<=>C4H71-3+CH3CO3H 1.000E+011 0.000 8000.0 C4H8-1+C3H5-A<=>C4H71-3+C3H6 7.900E+010 0.000 12400.0 C4H71-3+C4H71-3<=>C4H8-1+C4H6 1.600E+012 0.000 0.0 C4H8-1+C2H5O2<=>C4H71-3+C2H5O2H 1.400E+012 0.000 14900.0 C4H8-1+CH3O2<=>C4H8O1-2+CH3O 1.000E+012 0.000 14340.0 H+C4H71-3<=>C4H8-2 5.000E+013 0.000 0.0 C4H8-2+O2<=>C4H71-3+HO2 4.000E+013 0.000 39390.0 C4H8-2+H<=>C4H71-3+H2 4.440E+004 2.810 4414.0 C4H8-2+OH<=>C4H71-3+H2O 5.100E+008 1.400 1250.0 C4H8-2+CH3<=>C4H71-3+CH4 7.140E+000 3.570 7642.0 C4H8-2+HO2<=>C4H71-3+H2O2 5.940E+004 2.570 16140.0 C4H8-2+CH3O2<=>C4H71-3+CH3O2H 5.940E+004 2.570 16140.0 C4H8-2+CH3O<=>C4H71-3+CH3OH 1.800E+001 2.950 11990.0 C4H8-2+C2H5O2<=>C4H71-3+C2H5O2H 3.200E+012 0.000 14900.0 C4H8-1+HO2<=>C4H8O1-2+OH 1.000E+012 0.000 14340.0 C4H8-2+HO2<=>C4H8O2-3+OH 5.620E+011 0.000 12310.0 C4H8-2+CH3O2<=>C4H8O2-3+CH3O 5.620E+011 0.000 12310.0 C4H8-1+OH<=>PC4H8OH 4.750E+012 0.000 -782.0 C4H8-2+OH<=>SC4H8OH 4.750E+012 0.000 -782.0 C2H2+C2H5<=>C4H71-1 2.000E+011 0.000 7800.0 C3H4-A+CH3<=>C4H71-2 2.000E+011 0.000 7800.0 C2H4+C2H3<=>C4H71-4 2.000E+011 0.000 7800.0 C3H4-P+CH3<=>C4H72-2 1.000E+011 0.000 7800.0 C4H6+H<=>C4H71-3 4.000E+013 0.000 1300.0 C4H71-3+C2H5<=>C4H8-1+C2H4 2.590E+012 0.000 -131.0 C4H71-3+CH3O<=>C4H8-1+CH2O 2.410E+013 0.000 0.0 C4H71-3+O<=>C2H3CHO+CH3 6.030E+013 0.000 0.0 C4H71-3+HO2<=>C4H7O+OH 9.640E+012 0.000 0.0 C4H71-3+CH3O2<=>C4H7O+CH3O 9.640E+012 0.000 0.0 C3H5-A+C4H71-3<=>C3H6+C4H6 6.310E+012 0.000 0.0 C4H71-3+O2<=>C4H6+HO2 1.000E+009 0.000 0.0 H+C4H71-3<=>C4H6+H2 3.160E+013 0.000 0.0 C2H5+C4H71-3<=>C4H6+C2H6 3.980E+012 0.000 0.0 C2H3+C4H71-3<=>C2H4+C4H6 3.980E+012 0.000 0.0 C4H71-3+C2H5O2<=>C4H7O+C2H5O 3.800E+012 0.000 -1200.0 IC3H7O2+C4H71-3<=>IC3H7O+C4H7O 3.800E+012 0.000 -1200.0 NC3H7O2+C4H71-3<=>NC3H7O+C4H7O 3.800E+012 0.000 -1200.0 C4H7O<=>CH3CHO+C2H3 7.940E+014 0.000 19000.0 C4H7O<=>C2H3CHO+CH3 7.940E+014 0.000 19000.0 C4H6<=>C4H5-I+H 5.700E+036 -6.270 112353.0 C4H6<=>C4H5-N+H 5.300E+044 -8.620 123608.0 C4H6<=>C4H4+H2 2.500E+015 0.000 94700.0 C4H6+H<=>C4H5-N+H2 1.330E+006 2.530 12240.0 C4H6+H<=>C4H5-I+H2 6.650E+005 2.530 9240.0 C4H6+H<=>C2H4+C2H3 1.460E+030 -4.340 21647.0 PLOG/ 1.0000 1.460E+030 -4.340 21647.0/ PLOG/ 10.0000 5.450E+030 -4.510 21877.0/ C4H6+H<=>C3H4-P+CH3 2.000E+012 0.000 7000.0 C4H6+H<=>C3H4-A+CH3 2.000E+012 0.000 7000.0 C4H6+O<=>C4H5-N+OH 7.500E+006 1.900 3740.0 C4H6+O<=>C4H5-I+OH 7.500E+006 1.900 3740.0 C4H6+O<=>C2H2+C2H4O1-2 1.000E+008 1.450 -860.0 C4H6+O<=>CH3CHCHCO+H 5.000E+007 1.450 -860.0 C4H6+O<=>CH2CHCHCHO+H 4.500E+008 1.450 -860.0 C4H6+OH<=>C4H5-N+H2O 6.200E+006 2.000 3430.0 C4H6+OH<=>C4H5-I+H2O 3.100E+006 2.000 430.0 C4H6+HO2<=>C4H6O25+OH 1.200E+012 0.000 14000.0 C4H6+HO2<=>C2H3CHOCH2+OH 4.800E+012 0.000 14000.0 C4H6+CH3<=>C4H5-N+CH4 2.000E+014 0.000 22800.0 C4H6+CH3<=>C4H5-I+CH4 1.000E+014 0.000 19800.0 C4H6+C2H3<=>C4H5-N+C2H4 5.000E+013 0.000 22800.0 C4H6+C2H3<=>C4H5-I+C2H4 2.500E+013 0.000 19800.0 C4H6+C3H3<=>C4H5-N+C3H4-A 1.000E+013 0.000 22500.0 C4H6+C3H3<=>C4H5-I+C3H4-A 5.000E+012 0.000 19500.0 C4H6+C3H5-A<=>C4H5-N+C3H6 1.000E+013 0.000 22500.0 C4H6+C3H5-A<=>C4H5-I+C3H6 5.000E+012 0.000 19500.0 C4H71-4<=>C4H6+H 2.480E+053 -12.300 52000.0 PLOG/ 1.0000 2.480E+053 -12.300 52000.0/ PLOG/ 10.0000 1.850E+048 -10.500 51770.0/ C2H3+C2H2<=>C4H4+H 7.200E+013 -0.480 6100.0 PLOG/ 0.0132 7.200E+013 -0.480 6100.0/ PLOG/ 0.0263 5.000E+014 -0.710 6700.0/ PLOG/ 0.1200 4.600E+016 -1.250 8400.0/ PLOG/ 1.0000 2.000E+018 -1.680 10600.0/ PLOG/ 10.0000 4.900E+016 -1.130 11800.0/ C2H3+C2H2<=>C4H5-N 1.100E+031 -7.140 5600.0 PLOG/ 0.0132 1.100E+031 -7.140 5600.0/ PLOG/ 0.0263 1.100E+032 -7.330 6200.0/ PLOG/ 0.1200 2.400E+031 -6.950 5600.0/ PLOG/ 1.0000 9.300E+038 -8.760 12000.0/ PLOG/ 10.0000 8.100E+037 -8.090 13400.0/ C2H3+C2H2<=>C4H5-I 5.000E+034 -8.420 7900.0 PLOG/ 0.0132 5.000E+034 -8.420 7900.0/ PLOG/ 0.0263 2.100E+036 -8.780 9100.0/ PLOG/ 0.1200 1.000E+037 -8.770 9800.0/ PLOG/ 1.0000 1.600E+046 -10.980 18600.0/ PLOG/ 10.0000 5.100E+053 -12.640 28800.0/ C2H3+C2H3<=>C4H6 7.000E+057 -13.820 17629.0 PLOG/ 0.0263 7.000E+057 -13.820 17629.0/ PLOG/ 0.1200 1.500E+052 -11.970 16056.0/ PLOG/ 1.0000 1.500E+042 -8.840 12483.0/ C2H3+C2H3<=>C4H5-I+H 1.500E+030 -4.950 12958.0 PLOG/ 0.0263 1.500E+030 -4.950 12958.0/ PLOG/ 0.1200 7.200E+028 -4.490 14273.0/ PLOG/ 1.0000 1.200E+022 -2.440 13654.0/ C2H3+C2H3<=>C4H5-N+H 1.100E+024 -3.280 12395.0 PLOG/ 0.0263 1.100E+024 -3.280 12395.0/ PLOG/ 0.1200 4.600E+024 -3.380 14650.0/ PLOG/ 1.0000 2.400E+020 -2.040 15361.0/ C4H5-N<=>C4H5-I 2.400E+060 -16.080 47500.0 PLOG/ 0.0132 2.400E+060 -16.080 47500.0/ PLOG/ 0.0263 1.300E+062 -16.380 49600.0/ PLOG/ 0.1200 4.900E+066 -17.260 55400.0/ PLOG/ 1.0000 1.500E+067 -16.890 59100.0/ PLOG/ 10.0000 2.000E+060 -14.460 58600.0/ C4H5-N+H<=>C4H5-I+H 3.100E+026 -3.350 17423.0 C4H5-N+H<=>C4H4+H2 1.500E+013 0.000 0.0 C4H5-N+OH<=>C4H4+H2O 2.000E+012 0.000 0.0 C4H5-N+HCO<=>C4H6+CO 5.000E+012 0.000 0.0 C4H5-N+HO2=>C2H3+CH2CO+OH 6.600E+012 0.000 0.0 C4H5-N+H2O2<=>C4H6+HO2 1.210E+010 0.000 -596.0 C4H5-N+HO2<=>C4H6+O2 6.000E+011 0.000 0.0 C4H5-N+O2<=>CH2CHCHCHO+O 3.000E+011 0.290 11.0 C4H5-N+O2<=>HCO+C2H3CHO 9.200E+016 -1.390 1010.0 C4H5-I+H<=>C4H4+H2 3.000E+013 0.000 0.0 C4H5-I+H<=>C3H3+CH3 2.000E+013 0.000 2000.0 C4H5-I+OH<=>C4H4+H2O 4.000E+012 0.000 0.0 C4H5-I+HCO<=>C4H6+CO 5.000E+012 0.000 0.0 C4H5-I+HO2<=>C4H6+O2 6.000E+011 0.000 0.0 C4H5-I+HO2=>C2H3+CH2CO+OH 6.600E+012 0.000 0.0 C4H5-I+H2O2<=>C4H6+HO2 1.210E+010 0.000 -596.0 C4H5-I+O2<=>CH2CO+CH2CHO 2.160E+010 0.000 2500.0 C4H5-2<=>C4H5-I 1.500E+067 -16.890 59100.0 C4H5-2+H<=>C4H5-I+H 3.100E+026 -3.350 17423.0 C4H5-2+HO2=>OH+C2H2+CH3CO 8.000E+011 0.000 0.0 C4H5-2+O2<=>CH3CO+CH2CO 2.160E+010 0.000 2500.0 C4H612<=>C4H5-I+H 4.200E+015 0.000 92600.0 C4H612+H<=>C4H6+H 2.000E+013 0.000 4000.0 C4H612+H<=>C4H5-I+H2 1.700E+005 2.500 2490.0 C4H612+H<=>C3H4-A+CH3 2.000E+013 0.000 2000.0 C4H612+H<=>C3H4-P+CH3 2.000E+013 0.000 2000.0 C4H612+CH3<=>C4H5-I+CH4 7.000E+013 0.000 18500.0 C4H612+O<=>CH2CO+C2H4 1.200E+008 1.650 327.0 C4H612+O<=>C4H5-I+OH 1.800E+011 0.700 5880.0 C4H612+OH<=>C4H5-I+H2O 3.100E+006 2.000 -298.0 C4H612<=>C4H6 3.000E+013 0.000 65000.0 C4H6-2<=>C4H6 3.000E+013 0.000 65000.0 C4H6-2<=>C4H612 3.000E+013 0.000 67000.0 C4H6-2+H<=>C4H612+H 2.000E+013 0.000 4000.0 C4H6-2+H<=>C4H5-2+H2 3.400E+005 2.500 2490.0 C4H6-2+H<=>CH3+C3H4-P 2.600E+005 2.500 1000.0 C4H6-2<=>H+C4H5-2 5.000E+015 0.000 87300.0 C4H6-2+CH3<=>C4H5-2+CH4 1.400E+014 0.000 18500.0 C2H3CHOCH2<=>C4H6O23 2.000E+014 0.000 50600.0 C4H6O23<=>CH3CHCHCHO 1.950E+013 0.000 49400.0 C4H6O23<=>C2H4+CH2CO 5.750E+015 0.000 69300.0 C4H6O23<=>C2H2+C2H4O1-2 1.000E+016 0.000 75800.0 C4H6O25<=>C4H4O+H2 5.300E+012 0.000 48500.0 C4H4O<=>CO+C3H4-P 1.780E+015 0.000 77500.0 C4H4O<=>C2H2+CH2CO 5.010E+014 0.000 77500.0 CH3CHCHCHO<=>C3H6+CO 3.900E+014 0.000 69000.0 CH3CHCHCHO+H<=>CH2CHCHCHO+H2 1.700E+005 2.500 2490.0 CH3CHCHCHO+H<=>CH3CHCHCO+H2 1.000E+005 2.500 2490.0 CH3CHCHCHO+H<=>CH3+C2H3CHO 4.000E+021 -2.390 11180.0 CH3CHCHCHO+H<=>C3H6+HCO 4.000E+021 -2.390 11180.0 CH3CHCHCHO+CH3<=>CH2CHCHCHO+CH4 2.100E+000 3.500 5675.0 CH3CHCHCHO+CH3<=>CH3CHCHCO+CH4 1.100E+000 3.500 5675.0 CH3CHCHCHO+C2H3<=>CH2CHCHCHO+C2H4 2.210E+000 3.500 4682.0 CH3CHCHCHO+C2H3<=>CH3CHCHCO+C2H4 1.110E+000 3.500 4682.0 CH3CHCHCO<=>C3H5-S+CO 1.000E+014 0.000 30000.0 CH3CHCHCO+H<=>CH3CHCHCHO 1.000E+014 0.000 0.0 CH2CHCHCHO<=>C3H5-A+CO 1.000E+014 0.000 25000.0 CH2CHCHCHO+H<=>CH3CHCHCHO 1.000E+014 0.000 0.0 C4H4+H<=>C4H5-N 1.200E+051 -12.570 12300.0 PLOG/ 0.0132 1.200E+051 -12.570 12300.0/ PLOG/ 0.0263 4.200E+050 -12.340 12500.0/ PLOG/ 0.1200 1.100E+050 -11.940 13400.0/ PLOG/ 1.0000 1.300E+051 -11.920 16500.0/ PLOG/ 10.0000 6.200E+045 -10.080 15800.0/ C4H4+H<=>C4H5-I 6.100E+053 -13.190 14200.0 PLOG/ 0.0132 6.100E+053 -13.190 14200.0/ PLOG/ 0.0263 9.600E+052 -12.850 14300.0/ PLOG/ 0.1200 2.100E+052 -12.440 15500.0/ PLOG/ 1.0000 4.900E+051 -11.920 17700.0/ PLOG/ 10.0000 1.500E+048 -10.580 18800.0/ C4H4+H<=>C4H3-N+H2 6.650E+005 2.530 12240.0 C4H4+H<=>C4H3-I+H2 3.330E+005 2.530 9240.0 C4H4+OH<=>C4H3-N+H2O 3.100E+007 2.000 3430.0 C4H4+OH<=>C4H3-I+H2O 1.550E+007 2.000 430.0 C4H4+O<=>C3H3+HCO 6.000E+008 1.450 -860.0 C3H3+HCCO<=>C4H4+CO 2.500E+013 0.000 0.0 C3H3+CH<=>C4H3-I+H 5.000E+013 0.000 0.0 C3H3+CH2<=>C4H4+H 5.000E+013 0.000 0.0 C3H3+CH3(+M)<=>C4H612(+M) 1.500E+012 0.000 0.0 LOW/ 2.600E+057 -11.940 9770.0/ TROE/ 1.750E-001 1.341E+003 6.000E+004 9.770E+003/ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/ C2H2+C2H(+M)<=>C4H3-N(+M) 8.300E+010 0.899 -363.0 LOW/ 1.240E+031 -4.718 1871.0/ TROE/ 1.000E+000 1.000E+002 5.613E+003 1.339E+004/ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ C2H2/ 2.50/ C2H4/ 2.50/ C4H3-N<=>C4H3-I 4.100E+043 -9.490 53000.0 C4H3-N+H<=>C4H3-I+H 2.500E+020 -1.670 10800.0 C4H3-N+H<=>C2H2+H2CC 6.300E+025 -3.340 10014.0 C4H3-N+H<=>C4H4 2.000E+047 -10.260 13070.0 C4H3-N+H<=>C4H2+H2 3.000E+013 0.000 0.0 C4H3-N+OH<=>C4H2+H2O 2.000E+012 0.000 0.0 C2H2+C2H(+M)<=>C4H3-I(+M) 8.300E+010 0.899 -363.0 LOW/ 1.240E+031 -4.718 1871.0/ TROE/ 1.000E+000 1.000E+002 5.613E+003 1.339E+004/ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ C2H2/ 2.50/ C2H4/ 2.50/ C4H3-I+H<=>C2H2+H2CC 2.800E+023 -2.550 10780.0 C4H3-I+H<=>C4H4 3.400E+043 -9.010 12120.0 C4H3-I+H<=>C4H2+H2 6.000E+013 0.000 0.0 C4H3-I+OH<=>C4H2+H2O 4.000E+012 0.000 0.0 C4H3-I+O2<=>HCCO+CH2CO 7.860E+016 -1.800 0.0 C4H3-I+CH2<=>C3H4-A+C2H 2.000E+013 0.000 0.0 C2H2+C2H<=>C4H2+H 9.600E+013 0.000 0.0 C4H2+H<=>C4H3-N 1.100E+042 -8.720 15300.0 C4H2+H<=>C4H3-I 1.100E+030 -4.920 10800.0 C4H2+OH<=>H2C4O+H 6.600E+012 0.000 -410.0 H2C4O+H<=>C2H2+HCCO 5.000E+013 0.000 3000.0 H2C4O+OH<=>CH2CO+HCCO 1.000E+007 2.000 2000.0 H2CC+C2H2(+M)<=>C4H4(+M) 3.500E+005 2.055 -2400.0 LOW/ 1.400E+060 -12.599 7417.0/ TROE/ 9.800E-001 5.600E+001 5.800E+002 4.164E+003/ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ C2H2/ 3.00/ C2H4/ 3.00/ H2CC+C2H4<=>C4H6 1.000E+012 0.000 0.0 C4H8O1-2+OH=>CH2O+C3H5-A+H2O 5.000E+012 0.000 0.0 C4H8O1-2+H=>CH2O+C3H5-A+H2 5.000E+012 0.000 0.0 C4H8O1-2+O=>CH2O+C3H5-A+OH 5.000E+012 0.000 0.0 C4H8O1-2+HO2=>CH2O+C3H5-A+H2O2 1.000E+013 0.000 15000.0 C4H8O1-2+CH3O2=>CH2O+C3H5-A+CH3O2H 1.000E+013 0.000 19000.0 C4H8O1-2+CH3=>CH2O+C3H5-A+CH4 2.000E+011 0.000 10000.0 C4H8O1-3+OH=>CH2O+C3H5-A+H2O 5.000E+012 0.000 0.0 C4H8O1-3+H=>CH2O+C3H5-A+H2 5.000E+012 0.000 0.0 C4H8O1-3+O=>CH2O+C3H5-A+OH 5.000E+012 0.000 0.0 C4H8O1-3+HO2=>CH2O+C3H5-A+H2O2 1.000E+013 0.000 15000.0 C4H8O1-3+CH3O2=>CH2O+C3H5-A+CH3O2H 1.000E+013 0.000 19000.0 C4H8O1-3+CH3=>CH2O+C3H5-A+CH4 2.000E+011 0.000 10000.0 C4H8O1-4+OH=>CH2O+C3H5-A+H2O 5.000E+012 0.000 0.0 C4H8O1-4+H=>CH2O+C3H5-A+H2 5.000E+012 0.000 0.0 C4H8O1-4+O=>CH2O+C3H5-A+OH 5.000E+012 0.000 0.0 C4H8O1-4+HO2=>CH2O+C3H5-A+H2O2 1.000E+013 0.000 15000.0 C4H8O1-4+CH3O2=>CH2O+C3H5-A+CH3O2H 1.000E+013 0.000 19000.0 C4H8O1-4+CH3=>CH2O+C3H5-A+CH4 2.000E+011 0.000 10000.0 C4H8O2-3+OH=>CH2O+C3H5-A+H2O 5.000E+012 0.000 0.0 C4H8O2-3+H=>CH2O+C3H5-A+H2 5.000E+012 0.000 0.0 C4H8O2-3+O=>CH2O+C3H5-A+OH 5.000E+012 0.000 0.0 C4H8O2-3+HO2=>CH2O+C3H5-A+H2O2 1.000E+013 0.000 15000.0 C4H8O2-3+CH3O2=>CH2O+C3H5-A+CH3O2H 1.000E+013 0.000 19000.0 C4H8O2-3+CH3=>CH2O+C3H5-A+CH4 2.000E+011 0.000 10000.0 IC3H7O2+PC4H9<=>IC3H7O+PC4H9O 7.000E+012 0.000 -1000.0 IC3H7O2+SC4H9<=>IC3H7O+SC4H9O 7.000E+012 0.000 -1000.0 NC3H7O2+PC4H9<=>NC3H7O+PC4H9O 7.000E+012 0.000 -1000.0 NC3H7O2+SC4H9<=>NC3H7O+SC4H9O 7.000E+012 0.000 -1000.0 PC4H9+HO2<=>PC4H9O+OH 7.000E+012 0.000 -1000.0 SC4H9+HO2<=>SC4H9O+OH 7.000E+012 0.000 -1000.0 CH3O2+PC4H9<=>CH3O+PC4H9O 7.000E+012 0.000 -1000.0 CH3O2+SC4H9<=>CH3O+SC4H9O 7.000E+012 0.000 -1000.0 NC3H7+CH2O<=>PC4H9O 5.000E+010 0.000 3457.0 CH3+C2H5CHO<=>SC4H9O 5.000E+010 0.000 9043.0 C2H5+CH3CHO<=>SC4H9O 3.330E+010 0.000 6397.0 CH2CH2CHO<=>C2H4+HCO 3.127E+013 -0.520 24590.0 NC3H7CHO+O2<=>NC3H7CO+HO2 1.200E+005 2.500 37560.0 NC3H7CHO+OH<=>NC3H7CO+H2O 2.000E+006 1.800 -1300.0 NC3H7CHO+H<=>NC3H7CO+H2 4.140E+009 1.120 2320.0 NC3H7CHO+O<=>NC3H7CO+OH 5.940E+012 0.000 1868.0 NC3H7CHO+HO2<=>NC3H7CO+H2O2 4.090E+004 2.500 10200.0 NC3H7CHO+CH3<=>NC3H7CO+CH4 2.890E-003 4.620 3210.0 NC3H7CHO+CH3O<=>NC3H7CO+CH3OH 1.000E+012 0.000 3300.0 NC3H7CHO+CH3O2<=>NC3H7CO+CH3O2H 4.090E+004 2.500 10200.0 NC3H7CHO+OH<=>C3H6CHO-1+H2O 5.280E+009 0.970 1586.0 NC3H7CHO+OH<=>C3H6CHO-2+H2O 4.680E+007 1.610 -35.0 NC3H7CHO+OH<=>C3H6CHO-3+H2O 5.520E+002 3.120 -1176.0 NC3H7CHO+HO2<=>C3H6CHO-1+H2O2 2.379E+004 2.550 16490.0 NC3H7CHO+HO2<=>C3H6CHO-2+H2O2 9.640E+003 2.600 13910.0 NC3H7CHO+HO2<=>C3H6CHO-3+H2O2 3.440E+012 0.050 17880.0 NC3H7CHO+CH3O2<=>C3H6CHO-1+CH3O2H 2.379E+004 2.550 16490.0 NC3H7CHO+CH3O2<=>C3H6CHO-2+CH3O2H 9.640E+003 2.600 13910.0 NC3H7CHO+CH3O2<=>C3H6CHO-3+CH3O2H 3.440E+012 0.050 17880.0 NC3H7CO<=>NC3H7+CO 1.000E+011 0.000 9600.0 C3H6CHO-1<=>C2H4+CH2CHO 7.400E+011 0.000 21970.0 C2H5CHCO+H<=>C3H6CHO-3 5.000E+012 0.000 1200.0 C2H3CHO+CH3<=>C3H6CHO-3 1.230E+011 0.000 7800.0 SC3H5CHO+H<=>C3H6CHO-2 5.000E+012 0.000 2900.0 C3H6+HCO<=>C3H6CHO-2 1.000E+011 0.000 6000.0 C2H5CHCO+OH<=>NC3H7+CO2 3.730E+012 0.000 -1010.0 C2H5CHCO+H<=>NC3H7+CO 4.400E+012 0.000 1459.0 C2H5CHCO+O<=>C3H6+CO2 3.200E+012 0.000 -437.0 SC3H5CHO+OH<=>SC3H5CO+H2O 2.690E+010 0.760 -340.0 C3H5-S+CO<=>SC3H5CO 5.000E+012 0.000 8000.0 SC3H5CHO+HO2<=>SC3H5CO+H2O2 1.000E+012 0.000 11920.0 SC3H5CHO+CH3<=>SC3H5CO+CH4 3.980E+012 0.000 8700.0 SC3H5CHO+O<=>SC3H5CO+OH 7.180E+012 0.000 1389.0 SC3H5CHO+O2<=>SC3H5CO+HO2 4.000E+013 0.000 37600.0 SC3H5CHO+H<=>SC3H5CO+H2 2.600E+012 0.000 2600.0 IC4H10(+M)<=>CH3+IC3H7(+M) 2.520E+031 -4.102 91495.0 LOW/ 2.410E+019 0.000 52576.0/ TROE/ 3.662E-001 8.153E+002 6.079E+001 1.000E+020/ IC4H10<=>TC4H9+H 2.510E+098 -23.810 145300.0 IC4H10<=>IC4H9+H 9.850E+095 -23.110 147600.0 IC4H10+H<=>TC4H9+H2 6.020E+005 2.400 2583.0 IC4H10+H<=>IC4H9+H2 1.810E+006 2.540 6756.0 IC4H10+CH3<=>TC4H9+CH4 9.040E-001 3.460 4598.0 IC4H10+CH3<=>IC4H9+CH4 1.360E+000 3.650 7154.0 IC4H10+OH<=>TC4H9+H2O 2.925E+004 2.531 -1659.0 IC4H10+OH<=>IC4H9+H2O 6.654E+004 2.665 -168.9 IC4H10+C2H5<=>IC4H9+C2H6 1.510E+012 0.000 10400.0 IC4H10+C2H5<=>TC4H9+C2H6 1.000E+011 0.000 7900.0 IC4H10+HO2<=>IC4H9+H2O2 6.120E+001 3.590 17160.0 IC4H10+HO2<=>TC4H9+H2O2 4.332E+002 3.010 12090.0 IC4H10+O<=>TC4H9+OH 1.968E+005 2.402 1150.0 IC4H10+O<=>IC4H9+OH 4.046E+007 2.034 5136.0 IC4H10+CH3O<=>IC4H9+CH3OH 4.800E+011 0.000 7000.0 IC4H10+CH3O<=>TC4H9+CH3OH 1.900E+010 0.000 2800.0 IC4H10+O2<=>IC4H9+HO2 9.000E+013 0.000 52290.0 IC4H10+O2<=>TC4H9+HO2 1.000E+013 0.000 48200.0 IC4H10+CH3O2<=>IC4H9+CH3O2H 2.079E+000 3.970 18280.0 IC4H10+C2H5O2<=>IC4H9+C2H5O2H 2.550E+013 0.000 20460.0 IC4H10+CH3CO3<=>IC4H9+CH3CO3H 2.550E+013 0.000 20460.0 IC4H10+O2CHO<=>IC4H9+HO2CHO 2.520E+013 0.000 20440.0 IC4H10+O2CHO<=>TC4H9+HO2CHO 2.800E+012 0.000 16010.0 IC4H10+CH3O2<=>TC4H9+CH3O2H 1.366E+002 3.120 13190.0 IC4H10+C2H5O2<=>TC4H9+C2H5O2H 2.800E+012 0.000 16000.0 IC4H10+CH3CO3<=>TC4H9+CH3CO3H 2.800E+012 0.000 16000.0 IC4H10+IC4H9<=>TC4H9+IC4H10 2.500E+010 0.000 7900.0 IC4H9+HO2<=>IC4H9O+OH 7.000E+012 0.000 -1000.0 TC4H9+HO2<=>TC4H9O+OH 7.000E+012 0.000 -1000.0 CH3O2+IC4H9<=>CH3O+IC4H9O 7.000E+012 0.000 -1000.0 CH3O2+TC4H9<=>CH3O+TC4H9O 7.000E+012 0.000 -1000.0 IC4H9<=>TC4H9 3.560E+010 0.880 34600.0 IC4H8+H<=>IC4H9 6.250E+011 0.510 2620.0 C3H6+CH3<=>IC4H9 1.890E+003 2.670 6850.0 H+IC4H8<=>TC4H9 1.060E+012 0.510 1230.0 TC4H9+O2<=>IC4H8+HO2 8.370E-001 3.590 11960.0 IC4H9+O2<=>IC4H8+HO2 1.070E+000 3.710 9322.0 NC3H7O2+IC4H9<=>NC3H7O+IC4H9O 7.000E+012 0.000 -1000.0 NC3H7O2+TC4H9<=>NC3H7O+TC4H9O 7.000E+012 0.000 -1000.0 NC3H7O2+IC4H7<=>NC3H7O+IC4H7O 7.000E+012 0.000 -1000.0 IC3H7O2+IC4H9<=>IC3H7O+IC4H9O 7.000E+012 0.000 -1000.0 IC3H7O2+TC4H9<=>IC3H7O+TC4H9O 7.000E+012 0.000 -1000.0 IC3H7O2+IC4H7<=>IC3H7O+IC4H7O 7.000E+012 0.000 -1000.0 CC4H8O+OH=>CH2O+C3H5-A+H2O 5.000E+012 0.000 0.0 CC4H8O+H=>CH2O+C3H5-A+H2 3.510E+007 2.000 5000.0 CC4H8O+O=>CH2O+C3H5-A+OH 1.124E+014 0.000 5200.0 CC4H8O+HO2=>CH2O+C3H5-A+H2O2 1.000E+013 0.000 15000.0 CC4H8O+CH3O2=>CH2O+C3H5-A+CH3O2H 1.000E+013 0.000 19000.0 CC4H8O+CH3=>CH2O+C3H5-A+CH4 2.000E+011 0.000 10000.0 IC4H9O+HO2<=>IC3H7CHO+H2O2 1.000E+012 0.000 0.0 IC4H9O+OH<=>IC3H7CHO+H2O 1.810E+013 0.000 0.0 IC4H9O+CH3<=>IC3H7CHO+CH4 2.400E+013 0.000 0.0 IC4H9O+O<=>IC3H7CHO+OH 6.000E+012 0.000 0.0 IC4H9O+H<=>IC3H7CHO+H2 1.990E+013 0.000 0.0 IC3H7CHO+H<=>IC4H9O 1.000E+012 0.000 5860.0 CH2O+IC3H7<=>IC4H9O 5.000E+010 0.000 2330.0 CH3COCH3+CH3<=>TC4H9O 1.500E+011 0.000 11900.0 IC4H9O+O2<=>IC3H7CHO+HO2 1.930E+011 0.000 1660.0 TC4H9O+O2<=>IC4H8O+HO2 8.100E+011 0.000 4700.0 IC4H8O<=>IC3H7CHO 4.180E+013 0.000 52720.0 IC4H8O+OH<=>IC3H6CHO+H2O 1.250E+012 0.000 0.0 IC4H8O+H<=>IC3H6CHO+H2 1.250E+012 0.000 0.0 IC4H8O+HO2<=>IC3H6CHO+H2O2 2.500E+012 0.000 15000.0 IC4H8O+CH3O2<=>IC3H6CHO+CH3O2H 2.500E+012 0.000 19000.0 IC4H8O+CH3<=>IC3H6CHO+CH4 5.000E+010 0.000 10000.0 IC4H8O+O<=>IC3H6CHO+OH 1.250E+012 0.000 0.0 TC3H6CHO+H<=>IC3H7CHO 2.000E+014 0.000 0.0 IC3H7+HCO<=>IC3H7CHO 1.810E+013 0.000 0.0 IC3H7CHO+HO2<=>IC3H7CO+H2O2 3.000E+012 0.000 11920.0 IC3H7CHO+HO2<=>TC3H6CHO+H2O2 8.000E+010 0.000 11920.0 IC3H7CHO+CH3<=>IC3H7CO+CH4 3.980E+012 0.000 8700.0 IC3H7CHO+O<=>IC3H7CO+OH 7.180E+012 0.000 1389.0 IC3H7CHO+O2<=>IC3H7CO+HO2 4.000E+013 0.000 37600.0 IC3H7CHO+OH<=>IC3H7CO+H2O 2.690E+010 0.760 -340.0 IC3H7CHO+OH<=>TC3H6CHO+H2O 1.684E+012 0.000 -781.0 IC3H7CHO+H<=>IC3H7CO+H2 2.600E+012 0.000 2600.0 IC3H7CHO+OH<=>IC3H6CHO+H2O 3.120E+006 2.000 -298.0 IC3H7CHO+HO2<=>IC3H6CHO+H2O2 2.740E+004 2.550 15500.0 IC3H7CHO+CH3O2<=>IC3H6CHO+CH3O2H 4.760E+004 2.550 16490.0 IC3H7+CO<=>IC3H7CO 1.500E+011 0.000 4810.0 C3H6+HCO<=>IC3H6CHO 1.000E+011 0.000 7800.0 C2H3CHO+CH3<=>IC3H6CHO 1.000E+011 0.000 7800.0 IC4H8+OH<=>IC4H8OH 9.930E+011 0.000 -960.0 IC4H8<=>C3H5-T+CH3 1.920E+066 -14.220 128100.0 IC4H8<=>IC4H7+H 3.070E+055 -11.490 114300.0 IC4H8+H<=>C3H6+CH3 5.680E+033 -5.720 20000.0 IC4H8+H<=>IC4H7+H2 3.400E+005 2.500 2492.0 IC4H8+O=>CH2CO+CH3+CH3 3.330E+007 1.760 76.0 IC4H8+O=>IC3H6CO+H+H 1.660E+007 1.760 76.0 IC4H8+O<=>IC4H7+OH 1.206E+011 0.700 7633.0 IC4H8+CH3<=>IC4H7+CH4 4.420E+000 3.500 5675.0 IC4H8+HO2<=>IC4H7+H2O2 1.928E+004 2.600 13910.0 IC4H8+O2CHO<=>IC4H7+HO2CHO 1.928E+004 2.600 13910.0 IC4H8+O2<=>IC4H7+HO2 6.000E+012 0.000 39900.0 IC4H8+C3H5-A<=>IC4H7+C3H6 7.940E+011 0.000 20500.0 IC4H8+C3H5-S<=>IC4H7+C3H6 7.940E+011 0.000 20500.0 IC4H8+C3H5-T<=>IC4H7+C3H6 7.940E+011 0.000 20500.0 IC4H8+OH<=>IC4H7+H2O 5.200E+006 2.000 -298.0 IC4H8+O<=>IC3H7+HCO 1.580E+007 1.760 -1216.0 IC4H8+CH3O2<=>IC4H7+CH3O2H 1.928E+004 2.600 13910.0 IC4H8+HO2<=>IC4H8O+OH 1.290E+012 0.000 13340.0 IC4H7+O2<=>IC3H5CHO+OH 2.470E+013 -0.450 23020.0 IC4H7+O2<=>CH3COCH2+CH2O 7.140E+015 -1.210 21050.0 IC4H7+O2=>C3H4-A+CH2O+OH 7.290E+029 -5.710 21450.0 IC4H7+O<=>IC3H5CHO+H 6.030E+013 0.000 0.0 IC4H7<=>C3H4-A+CH3 1.230E+047 -9.740 74260.0 CH3O2+IC4H7<=>CH3O+IC4H7O 7.000E+012 0.000 -1000.0 IC4H7+HO2<=>IC4H7O+OH 7.000E+012 0.000 -1000.0 C3H5-T+CH2O<=>IC4H7O 1.000E+011 0.000 12600.0 IC4H7O<=>IC4H6OH 1.391E+011 0.000 15600.0 IC4H7O<=>IC3H5CHO+H 5.000E+013 0.000 29100.0 IC4H6OH+H2<=>IC4H7OH+H 2.160E+004 2.380 18990.0 IC4H7OH+O2<=>IC4H6OH+HO2 6.000E+013 0.000 39900.0 IC4H6OH+CH2O<=>IC4H7OH+HCO 6.300E+008 1.900 18190.0 IC4H6OH+IC4H8<=>IC4H7OH+IC4H7 4.700E+002 3.300 19840.0 IC4H6OH+H<=>IC4H7OH 1.000E+014 0.000 0.0 IC4H6OH+H2O2<=>IC4H7OH+HO2 7.830E+005 2.050 13580.0 C3H4-A+CH2OH<=>IC4H6OH 1.000E+011 0.000 9200.0 IC4H7O+O2<=>IC3H5CHO+HO2 3.000E+010 0.000 1649.0 IC4H7O+HO2<=>IC3H5CHO+H2O2 3.000E+011 0.000 0.0 IC4H7O+CH3<=>IC3H5CHO+CH4 2.400E+013 0.000 0.0 IC4H7O+O<=>IC3H5CHO+OH 6.000E+012 0.000 0.0 IC4H7O+OH<=>IC3H5CHO+H2O 1.810E+013 0.000 0.0 IC4H7O+H<=>IC3H5CHO+H2 1.990E+013 0.000 0.0 IC3H5CHO+OH<=>IC3H5CO+H2O 2.690E+010 0.760 -340.0 IC3H5CHO+HO2<=>IC3H5CO+H2O2 1.000E+012 0.000 11920.0 IC3H5CHO+CH3<=>IC3H5CO+CH4 3.980E+012 0.000 8700.0 IC3H5CHO+O<=>IC3H5CO+OH 7.180E+012 0.000 1389.0 IC3H5CHO+O2<=>IC3H5CO+HO2 2.000E+013 0.000 40700.0 IC3H5CHO+H<=>IC3H5CO+H2 2.600E+012 0.000 2600.0 IC3H5CO<=>C3H5-T+CO 1.278E+020 -1.890 34460.0 TC3H6OCHO+OH<=>TC3H6CHO+HO2 2.018E+017 -1.200 21010.0 TC3H6OCHO<=>CH3COCH3+HCO 3.980E+013 0.000 9700.0 IC3H5CHO+H<=>TC3H6CHO 1.300E+013 0.000 1200.0 IC3H6CO+H<=>TC3H6CHO 1.300E+013 0.000 4800.0 TC3H6CHO+H2<=>IC3H7CHO+H 2.160E+005 2.380 18990.0 IC4H7O+OH<=>IC4H7OOH 1.000E+011 0.000 0.0 IC4H7O+H<=>IC4H7OH 4.000E+013 0.000 0.0 IC4H7OH+H<=>IC4H8OH 1.000E+013 0.000 1200.0 IC4H7O+H2<=>IC4H7OH+H 9.050E+006 2.000 17830.0 IC4H7+OH<=>IC4H7OH 3.000E+013 0.000 0.0 IC4H7OH+HCO<=>IC4H7O+CH2O 3.020E+011 0.000 18160.0 TC3H6CHO+CH2O<=>IC3H7CHO+HCO 2.520E+008 1.900 18190.0 TC3H6CHO+IC4H8<=>IC3H7CHO+IC4H7 4.700E+002 3.300 19840.0 IC3H6CO+OH<=>IC3H7+CO2 1.730E+012 0.000 -1010.0 CH3COCH3+H<=>TC3H6OH 8.000E+012 0.000 9500.0 IC3H5OH+H<=>TC3H6OH 6.250E+011 0.510 4020.0 C3H5-T+OH<=>IC3H5OH 5.000E+013 0.000 0.0 TC3H6OH+O2<=>CH3COCH3+HO2 2.230E+013 0.000 0.0 IC3H6CO+OH<=>TC3H6OH+CO 2.000E+012 0.000 -1010.0 TC3H6CHO+HO2<=>IC3H7CHO+O2 3.675E+012 0.000 1310.0 TC3H6CHO+CH3<=>IC3H5CHO+CH4 3.010E+012 -0.320 -131.0 TC4H8CHO<=>IC3H5CHO+CH3 1.000E+013 0.000 26290.0 TC4H8CHO<=>IC4H8+HCO 8.520E+012 0.000 20090.0 IC4H7O+IC4H8<=>IC4H7OH+IC4H7 2.700E+011 0.000 4000.0 IC4H6OH+HO2=>CH2CCH2OH+CH2O+OH 1.446E+013 0.000 0.0 IC4H8+CH2CCH2OH<=>IC4H7+C3H5OH 7.940E+011 0.000 20500.0 CH2CCH2OH+H2O2<=>C3H5OH+HO2 3.010E+009 0.000 2583.0 C3H5OH+OH<=>CH2CCH2OH+H2O 5.060E+012 0.000 5960.0 C3H5OH+H<=>CH2CCH2OH+H2 3.900E+005 2.500 5821.0 C3H5OH+O2<=>CH2CCH2OH+HO2 4.000E+013 0.000 60690.0 C3H5OH+CH3<=>CH2CCH2OH+CH4 2.400E+011 0.000 8030.0 CH2CCH2OH+CH3<=>IC4H7OH 3.000E+013 0.000 0.0 CH2CCH2OH+H<=>C3H5OH 1.000E+014 0.000 0.0 CH2CCH2OH+O2=>CH2OH+CO+CH2O 4.335E+012 0.000 0.0 CH2CCH2OH<=>C2H2+CH2OH 2.163E+040 -8.310 45110.0 C3H4-A+OH<=>CH2CCH2OH 8.500E+012 0.000 2000.0 ! ! !################################################################################ !##################Fire suppressant############################################## !################################################################################ ! ! !############################################################################### !#########################CF2BRCL ############################################## !############################################################################### ! !*************Pyrolysis from Yu et al., IJCK, 37, 2005, 134-146***************** !$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ! CF2BRCL = CF2CL + BR 1.26E15 0 62600 ! de Lijser et al. J Chem Soc Faraday Trans 2 1994, 139 CF2BRCL = CF2BR + CL 1.3E15 0 78010 ! Yu et al. Int. J. Chem Kin 37 2005 134 !CF2CL2 + M = CF2CL + CL + M 8.1E16 0 63000 ! Kuraman et al. J Phys Chem 99 1995 8673 CF2BR + BR + M = CF2BR2 + M 6.0E14 0 0 ! Horwitz et al. J Chem Phys 74 1981 5008 !BR + BR + M = BR2 + M 1.9E14 0 -1700 ! Montzka et al. Nature 398 1999 690 already in Babushok CL + CL + M = CL2 + M 2.0E14 0 -1790 ! Allendorf 2001 H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./ C2H6/3./ CH3CL/3./ AR/0.7/ CH2CL2/3./ CHCL3/3./ CCL4/3./! collision partynertaken from Babushok CF2CL + CF2CL = C2F4CL2 1.4E12 0 0 ! Yu et al. Int. J. Chem Kin 37 2005 134 CF2CL + CF2BR = C2F4BRCL 1.4E12 0 0 ! Yu et al. Int. J. Chem Kin 37 2005 134 CF2BR + CF2BR = C2F4BR2 1.4E12 0 0 ! Vatsa et al. Chem Phys Letter 207 1993 75 CF2BRCL + CF2CL = CF2CL2 + CF2BR 1.9E11 0 10300 ! Yu et al. Int. J. Chem Kin 37 2005 134 CF2BRCL + CF2BR = CF2BR2 + CF2CL 1.9E11 0 8100 ! Yu et al. Int. J. Chem Kin 37 2005 134 CF2BRCL + CL = CF2BR + CL2 1.9E14 0 31405 ! Yu et al. Int. J. Chem Kin 37 2005 134 !BR+CF2+M=CF2BR+M 3.60E+17 0.0 0.0! same as CF2CL CF2BRCL + BR = CF2CL + BR2 8.1E13 0 25167 ! Murphy et al. Plasma Chem Plasma Process 22, 2002, 371 CF2BRCL + CL = CF2CL + BRCL 8.1E13 0 25167 ! Murphy et al. Plasma Chem Plasma Process 22, 2002, 371 CF2BRCL + BR = CF2BR + BRCL 1.9E14 0 31405 ! Yu et al. Int. J. Chem Kin 37 2005 134 !CF2BR + M = CF2 + BR + M 1.0E17 0 49090 ! Murphy et al. Plasma Chem Plasma Process 22, 2002, 371 ! CF2CL + M = CF2 + CL + M 1.0E17 0 49090 ! Murphy et al. Plasma Chem Plasma Process 22, 2002, 371 already in Babushok !CF2 + CL2 = CF2CL2 3.3E8 0 2100 ! Mel'nikova et al. Kinet Katal 27 1986 25 already in Babushok CF2 + BR2 = CF2BR2 3.2E9 0 1030 ! Mel'nikovich et al. Kinet Katal 28 1987 181 !CF2CL + CL2 = CF2CL2 + CL 7.8E10 0 1910 ! Timonen Anna Acad Sci Fenn A2 218, 1988 45 already in Babushok plus mistake in the RR CF2BR + BR2 = CF2BR2 + BR 2.3E12 0 695 ! Sugawara Chem Phys Let 134 1987 347 C2F4 + M = CF2 + CF2 + M 4E50 -9.6 85300 ! NIST as per Yu et al. Int. J. Chem Kin 37 2005 134 CL + BRCL = BR + CL2 8.7E12 0 0 ! Clyne J Chem Soc Faraday Trans 2 68 1972 1281 BR + BRCL = CL + BR2 3.7E14 0 6165 ! Garret J Am soc 101 1979 5207 BR2 + CL2 = BRCL + BRCL 1.9E2 0 0 ! Goldfinger J Am chem Soc 91 1969 4003 ! !######################################################################################### !#############mech from Yu et al. Enviro. Sci Tecnol 39, 2005, 3020####################### !######################################################################################### ! !CH2F + HBR = CH3F + BR 3.97E11 0.0 980 ! already in Babushok !CH2F + HCL = CH3F + CL 5.76E11 0.0 2440 ! already in Babushok !CH3 + HBR = CH4 + BR 9.46E11 0.0 -382 ! already in babushok !CH3 + HCL = CH4 + CL 5.76E11 0.0 2440 ! already in Babushok !CH3BR = CH3 + BR 1.58E13 0.0 71700 ! already in Babushok !CH3 + CL = CH3CL 1.54E14 0.0 0.0 ! Already in Babushok CH3 + CL2 = CH3CL + CL 2.88E12 0.0 454 ! !CH3+ BR2 = CH3BR + BR 1.21E13 0.0 -382 ! already in Babushok !CF2CL + H2 = CHF2CL + H 7.94E11 0.0 9560 ! already in Babushok H + CF2CL+ M = CHF2CL + M 5.01E13 0.0 3990 ! HBR + CF2CL = CHF2CL + BR 2.51E11 0.0 2629 ! H + CF2BRCL = HBR + CF2CL 1.58E14 0.0 9321 ! H + CF2BRCL = HCL + CF2BR 1.58E14 0.0 15344 ! !H + CF2CL2 = HCL + CF2CL 1.58E14 0.0 15344 ! in Babushok !H + CF2BR2 = HBR + CF2BR 1.58E14 0.0 9320 ! in Babushok CHF2CL = CF2+HCL 1.41E13 0.0 53465 ! CF2 + HBR = CHF2BR 2.14E11 0.0 9560 ! !CF2BR + H2 = CHF2BR + H 1.25E11 0.0 6166 ! already in Babushok CF2BR + HBR = CHF2BR + BR 2.63E11 0.0 2557 ! CF2BR + HCL = CHF2BR + CL 1.86E11 0.0 5162 ! CF2CL + HCL = CHF2CL + CL 1.86E11 0.0 5162 ! CHF2 + BR = CHF2BR 3.49E13 0.0 0.0 ! CHF2 + CL = CHF2CL 1.54E14 0.0 0.0 ! !H + CHF2CL = CHF2 + HCL 4.65E14 0.0 15344 ! CHF2CL + H = CHF2 + HCL 1.87e8 1.66 9150. !2004LOU/GON10586-10593 !H + CHF2BR = CHF2 + HBR 1.47E14 0.0 9345 ! CHF2BR + H = CHF2 + HBR 1.87e8 1.66 4550. !est from reaction w/CL CF2 + H = CHF2 2.75E6 -0.32 7696 ! !CH2F2 + BR = CHF2 + HBR 2.38E13 0.0 16563 ! already in Babushok !CH2F2+ CL = HCL + CHF2 9.03E12 0.0 3131 ! already in Babushok CH3 + CF2BRCL = CH3BR + CF2CL 1.00E11 0.0 6381 ! CH3 + CF2BRCL = CH3CL + CF2BR 1.26E12 0.0 11305 ! !H + CL + M = HCL + M 7.20E21 -2.0 0 ! already in babushok ! CL + H2 = H + HCL 7.94E13 0.0 5305 ! already in babushok !CL2 + H = CL + HCL 8.59E13 0.0 1171 ! already in babushok !BR2 + H = BR + HBR 2.28E11 0.0 440 ! already in Babushok !BR + H + M = HBR + M 4.78E21 -1.96 502 ! already in Babushok BR + H2 = HBR + H 1.70E14 0.0 19120 ! already in Babushok !BR + CH3 = CH2+ HBR 1.10E14 0.0 23040 ! already in babushok CH2 + HCL = CH3 + CL 1.70E12 0.0 865 ! CH2 + CL = HCL + CH 2.20E11 0.0 25430 ! !CH2 + BR = CH + HBR 1.10E14 0.0 23040 ! already in Babushok !CF2 + H2 = CH2F2 2.80E12 0.0 34178 ! reverse reaction already in work from Babushok ! BAW added from Hynes shock tube study ! gtl removed C3F7H thrid body info C3F7H/12.00/ CF3-CHF (+M)=CHF:CF2 + F (+M) 6.30E14 0.0 62000.0 LOW /5.51E19 0.0 62000.0/ H2O/9.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ CH3F /6.00/ CH2F2 /6.00/ CHF3 /6.00/ HF /2.00/ ! !!!********************************* ! stuff being adjusted here !CHF3 (+M) = HF + CF2 (+M) 1.29E14 0.0 72118 !SCH/WAG !LOW /2.06E35 -5.75 58400/ !MOD/LAG CH2F+H<=>CH2(S)+HF 11.000E+13 0.0 0.0 CH2F+H<=>CHF+H2 5.000E+13 .000 .00 !CHF2 +H <=>CF2+H2 1.250E+13 .000 .00 !CHF3 + H = CF3 + H2 3.76E13 0.0 13100 ! Saso change CHF3 + H = CF3 + H2 7.83E06 2.06 12300. !2004LOU/GON10586-10593/vb,08/12 CHF3 + H = CH2F2 + F 4.32e08 1.60 62990. !1997BER/EHL107-116 CHF + H = CH + HF 0.65E14 0.00 0. !90TSA/MCF (EXPT) CHF + H = CF + H2 2.30E14 0.00 0. !90TSA/MCF (EXPT) CH + HF = CF + H2 2.00E13 0.00 0. !96BUR/ZAC (upper-limit) CO + F + M = CF:O + M 3.09E19 -1.40 -487. H2/2.00/ H2O/18.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ !96BUR/ZAC (RRKM) Saso change CF:O + H = CO + HF 2.50E13 0.00 0. !96BUR/ZAC 92BAU/COB (CHO Saso change !*************************************************** CH2F + O = CHF:O + H 5.70E13 0.00 0. !96BUR/ZAC 89TSA/BEL (CF3) CHF2 + O = CF2:O + H 3.70E13 0.00 0. !96BUR/ZAC 89TSA/BEL (CF3) !CF3 + O = CF2:O + F 1.90E13 0.00 0. !89TSA/BEL (EXPT) !gtl change CF3 + O = CF2:O + F 1.54E13 0.00 0. ! (EXPT) !*************************************************** CH2F + OH = CH2O + HF 2.50E13 0.00 0. !96BUR/ZAC 89TSA/BEL (CF3+O) CHF2 + OH = CHF:O + HF 1.00E13 0.00 0. !96BUR/ZAC 89TSA/BEL (CF3+O) !CF3 + OH = CF2:O + HF 2.00E13 0.00 0. !96BUR/ZAC 89TSA/BEL (O) CF3 + OH = CF2:O + HF 1.46E13 -0.06 -266. !2007SRI/SU6822-6831 /vb,08-12 !************************************************* CH2F + CF2 = CHF:CF2 + H 2.00E12 0.00 3500. !BAW 4E12=>2E12 CF:O + CHF2 = CF2CO + HF 2.70E13 0.00 20000. !BAW change, C&F 113:164 (1998) CF2CO + H = CHF2 + CO 1.13E13 0.00 3428. !81BAU/DUX (EXPT) !******************************** !*** HF, F, F2: Atom transfer *** !******************************** H2 + F = H + HF 2.56E12 0.50 650. !96BUR/ZAC 89STE/BRU (FIT) OH + F = O + HF 2.00E13 0.00 0. !96BUR/ZAC (H+HNO3) HO2 + F = O2 + HF 2.89E12 0.50 0. !96BUR/ZAC 83WAL/WAG (FIT) H2O + F = OH + HF 1.30E09 1.50 0. !96BUR/ZAC 83WAL/WAG (FIT) H2O2 + F = HO2 + HF 1.73E12 0.50 0. !96BUR/ZAC 83WAL/WAG (FIT) !************************************** !********** C1 FLUOROCARBONS ********** !************************************** !********************************************** !*** FLUOROMETHANES: THERMAL DECOMPOSITIONS *** !********************************************** !CH2(S) + HF = CH3F 1.91E23 -3.62 1780. !96BUR/ZAC 73SCH/WAG (FIT) !BAW change CH3F (+M) = CH2(S) + HF (+M) 1.00E14 0.0 85000.! 73 SCH/WAG LOW /1.50E16 0.0 67499./ !73 SCH/WAG H2/2.00/ H2O/9.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ CH3F /6.00/ CH2F2 /6.00/ CHF3 /6.00/ HF /2.00/ CHF + H2 = CH3F 2.25E17 -2.85 13000. !96BUR/ZAC (RRKM) CH2F + H = CH3F 3.03E21 -3.38 3460. !96BUR/ZAC (RRKM) !********************************************** ! BAW converted to low pressure limit, added 3rd body efficiencies CHF + HF +M = CH2F2 +M 3.04E26 -3.26 4060. !96BUR/ZAC (RRKM) H2/2.00/ H2O/9.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ CH3F /6.00/ CH2F2 /6.00/ CHF3 /6.00/ HF /2.00/ CF2 + H2 = CH2F2 1.70E06 -0.71 40900. !96BUR/ZAC (RRKM) CHF2 + H = CH2F2 2.75E06 -0.32 7690. !96BUR/ZAC (RRKM) !********************************************** CHF3 + M = CF2 + HF +M 3.41E30 -4.00 69050. H2/2.00/ H2O/9.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ CHF3/6.00/ CH2F2/6.00/ CH3F/6.00/ HF /2.00/ !96BUR/ZAC 91HID/NAK (FIT) !BAW change !CHF3 = HF + CF2 1.29E14 0.0 72118 !SCH/WAG !LOW /2.06E35 -5.75 58400/ !MOD/LAG !********************************************** !CF3 + F = CF4 1.60E38 -7.90 8950. !96BUR/ZAC 86PLU/RYA (RRKM) !BAW change convert to low pressure limit, 3rd body efficiency CF4 + M = CF3 + F + M 9.0E34 -4.64 122400 H2/2.00/ H2O/9.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ CH3F /6.00/ CH2F2 /6.00/ CHF3 /6.00/ CF4 /6.00/ !************************************************ !*** FLUOROMETHANES: ACTIVATED DECOMPOSITIONS *** !************************************************ CH2(S) + HF = CHF + H2 2.08E07 1.27 8330. !96BUR/ZAC (RRKM) !CH2F + H = CH2(S) + HF 8.19E15 -0.63 505. !96BUR/ZAC (RRKM) !CH2F + H = CHF + H2 5.21E08 1.16 1000. !96BUR/ZAC (RRKM) !BAW change !CH2F+H<=>CH2(S)+HF 4.000E+13 0.0 0.0 !CH2F+H<=>CHF+H2 1.200E+14 .000 .00 CH3 + F = CH2(S) + HF 1.62E16 -0.88 -981. !96BUR/ZAC (RRKM) CH3 + F = CH2F + H 1.36E12 -0.39 -265. !96BUR/ZAC (RRKM) !************************************************ CHF + HF = CF2 + H2 5.77E06 1.35 17900. !96BUR/ZAC (RRKM) CHF2 + H = CHF + HF 1.49E14 -0.11 101. !96BUR/ZAC (RRKM) CHF2 + H = CF2 + H2 5.50E03 2.42 -420. !96BUR/ZAC (RRKM) !BAW change !CHF2 +H <=>CF2+H2 5.000E+13 .000 .00 CH2F + F = CHF + HF 5.00E13 0.00 0. !96BUR/ZAC (RRKM) !************************************************ !CF3 + H = CF2 + HF 5.50E13 0.00 0. !89TSA/MCF (EXPT) !gtl change CF3 + H = CF2 + HF 5.33E13 0.00 0. ! (EXPT) CHF2 + F = CF2 + HF 3.00E13 0.00 0. !96BUR/ZAC (RRKM) !********************************************** !*** FLUOROMETHANES: ABSTRACTION TO METHYLS *** !********************************************** !**************************************** !*** Fluoromethanes: Reactions with H *** !**************************************** CH3F + H = CH2F + H2 2.70E03 3.00 5300. !96BUR/ZAC 75WES/DEH (FIT) CH2F2 + H = CHF2 + H2 1.65E03 3.00 5600. !96BUR/ZAC 72RID/DAV (FIT) !CF3 + H2 = CHF3 + H 6.30E01 3.00 5300. !96BUR/ZAC 72BER/MAR (FIT) (NEW) !BAW change !CHF3 + H = CF3 + H2 3.76E13 0.0 13100 ! Saso change !**************************************** CH3F + H = CH3 + HF 2.75E14 0.00 31400. !96BUR/ZAC 96ZAC/WES (BACMP4) CH2F2 + H = CH2F + HF 5.50E13 0.00 34100. !96BUR/ZAC 96ZAC/WES (BACMP4) !CHF3 + H = CHF2 + HF 8.00E13 0.00 40300. !96BUR/ZAC 96ZAC/WES (BACMP4) CHF3 + H = CHF2 + HF 2.11E08 1.77 39800. !2004LOU/GON10586-10593/vb;08-12 !CF4 + H = CF3 + HF 1.10E15 0.00 44600. !71KOC/MOI (EXPT) CF4 + H = CF3 + HF 3.07e09 1.58 41330. !1997BER/EHL107-116/vb;08-12 CF4 + H = CHF3 + F 9.15e08 1.45 63590. !1997BER/EHL107-116/vb;08-12 !************************************************* !*** Fluoromethanes: Reactions with O, OH, HO2 *** !************************************************* CH3F + O = CH2F + OH 6.50E07 1.50 7000. !96BUR/ZAC 67PAR/AZA (FIT) CH2F2 + O = CHF2 + OH 2.25E07 1.50 6100. !96BUR/ZAC 68PAR/NAL (FIT) !CHF3 + O = CF3 + OH 1.00E08 1.50 9250. !96BUR/ZAC 78JOU/LEB (FIT) !gtl change CHF3 + O = CF3 + OH 3.07E14 0.00 18950. !reference 2001FER/FON JPhysChem105,8196-8199 !************************************************* CH3F + OH = CH2F + H2O 2.60E08 1.50 2940. !91COH/WES 82JEO/KAU (FIT) CH2F2 + OH = CHF2 + H2O 2.80E07 1.70 2540. !91COH/WES 82JEO/KAU (FIT) !CHF3 + OH = CF3 + H2O 5.77E06 1.80 4292. !87COH/BEN 82JEO/KAU (FIT) CHF3 + OH = CF3 + H2O 1.25E07 1.55 3670. !2007SRI/SU6822-6831/vb;08-12 !************************************************* CH2F + H2O2 = CH3F + HO2 1.20E10 0.00 -600. !96BUR/ZAC 86TSA/HAM (CH3) CHF2 + H2O2 = CH2F2 + HO2 1.20E10 0.00 -600. !96BUR/ZAC 86TSA/HAM (CH3) CF3 + H2O2 = CHF3 + HO2 1.20E10 0.00 -600. !96BUR/ZAC 86TSA/HAM (CH3) !************************************************ !*** Fluoromethanes: Reactions with CH3, C2H3 *** !************************************************ CH3F + CH3 = CH2F + CH4 1.50E11 0.00 11400. !65PRI/BRY (EXPT) CH2F2 + CH3 = CHF2 + CH4 8.70E10 0.00 10200. !65PRI/BRY (EXPT) CF3 + CH4 = CHF3 + CH3 8.34E11 0.00 10920. !78ART/BEL (EXPT) !**************************************************** CH3F + C2H3 = CH2F + C2H4 1.50E11 0.00 10300. !96BUR/ZAC 65PRI/BRY (CH3) !C2H4 + CH2F = C2H3 + CH3F 2E12 0 10000 !Hynes PCI 281557 2000 !C2H4 + CH2F = CH3F + C2H3 2E12 0 10000 ! Hynes PCI 28 1557 2000 CH2F2 + C2H3 = CHF2 + C2H4 9.00E10 0.00 9200. !96BUR/ZAC 65PRI/BRY (CH3) CF3 + C2H4 = CHF3 + C2H3 8.00E11 0.00 12000. !96BUR/ZAC 78ART/BEL (CH3) !**************************************************** !*** Fluoromethyls: Reactions with Fluoromethanes *** !**************************************************** !CH3F + CF3 = CH2F + CHF3 1.35E12 0.00 11200. !67GIL/QUI (EXPT) CH3F + CF3 = CH2F + CHF3 5.75E11 0.00 11210. !2002OLL/LAN3341-3349, 448-636K/vb,08-12 CH2F2 + CH2F = CHF2 + CH3F 9.00E10 0.00 14000. !96BUR/ZAC 65PRI/BRY (CH3) !CH2F2 + CF3 = CHF2 + CHF3 7.20E11 0.00 11200. !67GIL/QUI (EXPT) CH2F2 + CF3 = CHF2 + CHF3 4.27E11 0.00 11300. !2002OLL/LAN3341-3349/vb;08-12 !***************************************************** !*** Fluoromethyls: Reactions with CH3O, CH2O, HCO *** !***************************************************** CH3OH + CH2F = CH3O + CH3F 1.44E01 3.10 9800. !96BUR/ZAC 86TSA/HAM (CH3) CH3OH + CHF2 = CH3O + CH2F2 1.44E01 3.10 9000. !96BUR/ZAC 86TSA/HAM (CH3) CH3OH + CF3 = CH3O + CHF3 1.44E01 3.10 5500. !96BUR/ZAC 86TSA/HAM (CH3) !********************************************************* CH3OH + CH2F = CH2OH + CH3F 3.20E01 3.20 10000. !96BUR/ZAC 87TSA (CH3) CH3OH + CHF2 = CH2OH + CH2F2 3.20E01 3.20 9300. !96BUR/ZAC 87TSA (CH3) CH3OH + CF3 = CH2OH + CHF3 3.20E01 3.20 5700. !96BUR/ZAC 87TSA (CH3) !********************************************************* CH2O + CH2F = HCO + CH3F 5.54E03 2.81 8300. !96BUR/ZAC 86TSA/HAM (CH3) CH2O + CHF2 = HCO + CH2F2 5.54E03 2.81 7800. !96BUR/ZAC 86TSA/HAM (CH3) CH2O + CF3 = HCO + CHF3 5.54E03 2.81 4600. !96BUR/ZAC 86TSA/HAM (CH3) !********************************************************* HCO + CH2F = CO + CH3F 9.00E13 0.00 0. !96BUR/ZAC 86TSA/HAM (CH3) HCO + CHF2 = CO + CH2F2 9.00E13 0.00 0. !96BUR/ZAC 86TSA/HAM (CH3) HCO + CF3 = CO + CHF3 9.00E13 0.00 0. !96BUR/ZAC 86TSA/HAM (CH3) !********************************************************* HCO + CH2F = CH2CO + HF 3.00E13 0.00 0. !96BUR/ZAC (upper-limit) HCO + CHF2 = CHFCO + HF 3.00E13 0.00 0. !96BUR/ZAC (upper-limit) HCO + CF3 = CF2CO + HF 2.70E13 0.00 0. !BAW change C&F 113:164 (1998) !******************************************************************************* !*** FLUOROMETHYLS ************************************************************* !******************************************************************************* !*************************************************** !*** Fluoromethyls: Reaction with O2, O, OH, HO2 *** !*************************************************** CH2F + O2 => CHF:O + O + H 2.26E09 1.14 28500. !96BUR/ZAC (CF3) CHF2 + O2 => CF2:O + O + H 2.26E09 1.14 16500. !96BUR/ZAC (CF3) CF3 + O2 = CF3O + O 2.26E09 1.14 21500. !96BUR/ZAC (RRKM) !*************************************************** !CH2F + O = CHF:O + H 5.70E13 0.00 0. !96BUR/ZAC 89TSA/BEL (CF3) !CHF2 + O = CF2:O + H 3.70E13 0.00 0. !96BUR/ZAC 89TSA/BEL (CF3) !CF3 + O = CF2:O + F 1.90E13 0.00 0. !89TSA/BEL (EXPT) !*************************************************** !BAW change these three A factors from 2E13 to 5E13 !CH2F + OH = CH2O + HF 5.00E13 0.00 0. !96BUR/ZAC 89TSA/BEL (CF3+O) !CHF2 + OH = CHF:O + HF 5.00E13 0.00 0. !96BUR/ZAC 89TSA/BEL (CF3+O) !CF3 + OH = CF2:O + HF 5.00E13 0.00 0. !96BUR/ZAC 89TSA/BEL (O) !*************************************************** CH2F + HO2 => CHF:O + OH + H 1.50E13 0.00 0. !96BUR/ZAC 92BAU/COB (CH3) CHF2 + HO2 => CF2:O + OH + H 1.50E13 0.00 0. !96BUR/ZAC 92BAU/COB (CH3) CF3 + HO2 = CF3O + OH 1.00E13 0.00 0. !96BUR/ZAC 92BAU/COB (CH3) !*************************************************** CH2F + HO2 = CH3F + O2 3.00E12 0.00 0. !96BUR/ZAC 86TSA/HAM (CH3) CHF2 + HO2 = CH2F2 + O2 3.00E12 0.00 0. !96BUR/ZAC 86TSA/HAM (CH3) CF3 + HO2 = CHF3 + O2 2.00E12 0.00 0. !96BUR/ZAC 86TSA/HAM (CH3) !************ !*** CF3O *** !************ CF3O + M = CF2:O + F + M 9.03E26 -3.42 21700. !96BUR/ZAC (RRKM) CF3O + H = CF2:O + HF 1.00E14 0.00 0. !96BUR/ZAC (upper-limit) CF3O + H2 => CF2:O+HF + H 1.00E13 0.00 5000. !96BUR/ZAC (upper-limit) CF3O + H2O => CF2:O+HF + OH 1.00E13 0.00 5000. !96BUR/ZAC (upper-limit) CF3O + CH4 => CF2:O+HF + CH3 8.00E12 0.00 2300. !96BUR/ZAC 92CHE/ZHU (C2H6) CF3O + C2H6 => CF2:O+HF + C2H5 1.20E13 0.00 2300. !96BUR/ZAC 92CHE/ZHU (FIT) CF3O + C2H4 => CF2:O+HF + C2H3 1.00E13 0.00 5000. !96BUR/ZAC (upper-limit) ! CF3O + C2H4 => CF2:O+HF + C2H3 1.81E13 0.00 0000. ! Kelly et al. Chem Phys letter 207 498 1993 CF3O + C2H2 => CF2:O + CH2:CF 1.00E13 0.00 5000. !96BUR/ZAC (upper-limit) CF3O + CH2O => CF2:O+HF + HCO 5.00E12 0.00 5000. !96BUR/ZAC (upper-limit) CF3O + HCO => CF2:O+HF + CO 5.00E12 0.00 2000. !96BUR/ZAC (upper-limit) !******************************************************************************* !*** FLUOROCARBENES: (CH2SING,) CHF, CF2 *************************************** !******************************************************************************* !**************************************************** !*** Fluorocarbenes: Reaction with O2, O, OH, H2O *** !**************************************************** CHF + O2 = CHF:O + O 2.00E13 0.00 16500. !96BUR/ZAC 77KEA/MAT (CF2) CF2 + O2 = CF2:O + O 2.00E13 0.00 26500. !77KEA/MAT (EXPT) !*********************************************** CHF + O = CO + HF 9.00E13 0.00 0. !90TSA/MCF (EXPT) (CHECK) !CF2 + O = CF:O + F 1.20E13 0.00 0. !96BUR/ZAC 90TSA/MCF (FIT) !gtl change CF2 + O = CF:O + F 2.45E13 0.00 0. ! (EXPT) !*********************************************** CHF + OH = CHF:O + H 2.00E13 0.00 0. !96BUR/ZAC 78BIO/LAZ (CF2) !BAW change !CF2 + OH = CF2:O + H 2.00E13 0.00 3500. !96BUR/ZAC 78BIO/LAZ (FIT) CF2 + OH = CF2:O + H 4.00E13 0.00 0. CHF + OH = HCO + HF 4.00E12 0.00 0. !96BUR/ZAC 78BIO/LAZ (H-Elimination) CF2 + OH = CF:O + HF 1.00E13 0.00 0. !96BUR/ZAC 78BIO/LAZ (H-Elimination) !*********************************************** CHF + HO2 = CHF:O + OH 1.00E13 0.00 0. !96BUR/ZAC 78BIO/LAZ (OH) CF2 + HO2 = CF2:O + OH 1.00E13 0.00 3500. !96BUR/ZAC 78BIO/LAZ (OH) CHF + HO2 = CH2F + O2 2.00E12 0.00 0. !96BUR/ZAC 78BIO/LAZ (OH) CF2 + HO2 = CHF2 + O2 2.00E12 0.00 3500. !96BUR/ZAC 78BIO/LAZ (OH) !*********************************************** CHF + H2O = CH2O + HF 5.00E12 0.00 6500. !96BUR/ZAC 96ZAC/WES (BACMP4) CF2 + H2O = CHF:O + HF 5.00E12 0.00 25000. !96BUR/ZAC 96ZAC/WES (BACMP4) !*************************************** !*** Fluorocarbenes: Reaction with F *** !*************************************** !CF + F = CF2 6.00E13 0.00 0. !96BUR/ZAC (upper-limit) !BAW change converted to low pressure limit, 3rd body efficiencies !CF2 + M = CF + F + M 6.0E26 -2.85 106000 !H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ !CH3F /6.00/ CH2F2 /6.00/ CHF3 /6.00/ CF4 /6.00/ HF /2.00/ CF2 (+ M) = CF + F (+ M) 5.3E14 0.0 118300. !ar=>n2;2900-3800K;Cobos etal.J.PhysChem,A,2010,114,4755-4761/vb,08-12 LOW / 2.29e15 0.0 95470. / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/0.70/ CH3F /6.00/ CH2F2 /6.00/ CHF3 /6.00/ CF4 /6.00/ HF /2.00/ !************************************** !*** Fluorocarbenes: Reaction wih H *** !************************************** !BAW change !CHF + H = CH + HF 2.95E14 0.00 0. !90TSA/MCF (EXPT) !CHF + H = CH + HF 1.35E14 0.00 0. !90TSA/MCF (EXPT) !CHF + H = CF + H2 1.60E14 0.00 0. !90TSA/MCF (EXPT) !CF2 + H = CF + HF 2.35E13 0.00 0. !96BUR/ZAC 89TSA/MCF (FIT) !gtl change CF2 + H = CF + HF 3.98E13 0.00 4540. ! (EXPT) !**************************************** !*** Fluorocarbenes: Reaction with RH *** !**************************************** CH2O + CHF = HCO + CH2F 1.00E13 0.00 15000. !96BUR/ZAC (CH4) CH2O + CHF = CH2CO + HF 1.00E13 0.00 15000. !96BUR/ZAC (CH4) !**************************************** CH2O + CF2 = HCO + CHF2 1.00E13 0.00 41000. !96BUR/ZAC (CH4) CH2O + CF2 = CHFCO + HF 1.00E13 0.00 41000. !96BUR/ZAC (CH4) !**************************************** HCO + CHF = CO + CH2F 2.00E13 0.00 15000. !96BUR/ZAC (CH4) HCO + CF2 = CO + CHF2 2.00E13 0.00 41000. !96BUR/ZAC (CH4) !********** !*** CF *** !********** !CH + HF = CF + H2 3.00E13 0.00 0. !96BUR/ZAC (upper-limit) !CF + O2 = CF:O + O 2.00E13 0.00 1800. !96BUR/ZAC 92PEE/VAN (FIT) !gtl change CF + O2 = CF:O + O 6.62E12 0.00 1690. ! (EXPT) CF + H2O = CHF:O + H 2.00E13 0.00 17000. !96BUR/ZAC (NEED) (H2O+Cl) !BAW adjust CF + H = C + HF 8.00E13 0.00 1160. !CF + H =>C + HF 4.00E13 0.00 750. !96BUR/ZAC 89TSA/MCF (FIT) !USE REACTION BELOW INSTEAD IF C IS NOT IN MECHANISM !CF + H =>CH + F 4.00E13 0.00 750. !96BUR/ZAC 89TSA/MCF (FIT) (NOTE) !BAW adjust CF + O = CO + F 8.00E13 0.00 1410. !CF + O = CO + F 4.00E13 0.00 1000. !96BUR/ZAC 90TSA/MCF (FIT) !BAW adjust CF + OH = CO + HF 8.00E13 0.00 1410. !CF + OH = CO + HF 3.00E13 0.00 1000. !96BUR/ZAC 90TSA/MCF (OH) CF + HO2 =>CF:O + OH 3.00E13 0.00 0. !96BUR/ZAC (upper-limit) CF + CH3 =>CH2:CF + H 3.00E13 0.00 0. !96BUR/ZAC (upper-limit) CF + C2H3 =>C2HF + CH2 3.00E13 0.00 0. !96BUR/ZAC (upper-limit) CF + CH2 =>C2HF + H 3.00E13 0.00 0. !96BUR/ZAC (upper-limit) CF + CH2(S) => C2HF + H 3.00E13 0.00 0. !96BUR/ZAC (upper-limit) CF + CH4 =>CH2:CHF + H 5.00E12 0.00 10000. !96BUR/ZAC (upper-limit) CF + C2H4 =>C2H2 + CH2F 1.00E13 0.00 0. !96BUR/ZAC (upper-limit) ! CF + C2H4 =>C2H2 + CH2F 4.82E11 0.00 1391. ! Debaelpaep J. Phys. Chem A 101 787 1997 CF + CH2O =>CHF + HCO 1.00E13 0.00 8000. !96BUR/ZAC (upper-limit) CF + HCO =>CHF + CO 1.00E13 0.00 0. !96BUR/ZAC (upper-limit) !********************************* !*** Oxidized C1 Fluorocarbons *** !********************************* !************************************* !*** CHF:O & CF2:O: Decompositions *** !************************************* CHF:O + M = CO + HF + M 2.48E25 -3.00 43000. !96BUR/ZAC 85SAI/KUR (FIT) CF:O + F = CF2:O 1.00E12 0.00 0. !96BUR/ZAC (upper-limit) !*************************************** !*** CHF:O & CF2:O: Reactions with H *** !*************************************** CHF:O + H = CF:O + H2 1.10E08 1.77 3000. !96BUR/ZAC 86TSA/HAM (CH2O) !*************************************** CF2:O + H = CF:O + HF 2.40E07 1.88 35900. !96BUR/ZAC 96ZAC/WES (BACMP4) DUP CF2:O + H = CF:O + HF 1.20E10 0.83 22300. !96BUR/ZAC 96ZAC/WES (BACMP4) DUP CF2:O + H = CF:O + HF 5.50E08 1.42 18900. !96BUR/ZAC 96ZAC/WES (BACMP4) DUP !***************************************************** !*** CHF:O & CF2:O: Reactions with H2O, O, OH, HO2 *** !***************************************************** CF2:O + H2O => CO2 + HF + HF 7.40E-3 3.84 25100. !96BUR/ZAC 96ZAC/WES (BACMP4) CHF:O + O = CF:O + OH 9.00E12 0.00 3080. !96BUR/ZAC 80KLE/SKO (CH2O) CHF:O + OH = CF:O + H2O 1.72E09 1.18 -447. !96BUR/ZAC 86TSA/HAM (CH2O) CF2:O + OH => CO2 + F + HF 2.70E03 2.38 21000. !96BUR/ZAC (BACMP4) CF:O + H2O2 = CHF:O + HO2 1.00E11 0.00 3900. !96BUR/ZAC 86TSA/HAM (CH2O) !********************************************* !*** CHF:O & CF2:O: Reactions with Methyls *** !********************************************* CHF:O + CH3 = CF:O + CH4 2.00E12 0.00 9000. !96BUR/ZAC 92BAU/COB (CH2O) CHF:O + CH2F = CF:O + CH3F 2.00E12 0.00 9000. !96BUR/ZAC 92BAU/COB (CH2O) CHF:O + CHF2 = CF:O + CH2F2 2.00E12 0.00 9000. !96BUR/ZAC 92BAU/COB (CH2O) CHF:O + CF3 = CF:O + CHF3 2.00E12 0.00 9000. !96BUR/ZAC 92BAU/COB (CH2O) CHF:O + C2H3 = CF:O + C2H4 2.00E12 0.00 5000. !96BUR/ZAC 92BAU/COB (CH2O) !********************** !*** CF:O Reactions *** !********************** !CO + F + M = CF:O + M 3.09E19 -1.40 -487. !H2O /18.0/ !96BUR/ZAC (RRKM) Saso change !CF:O + H = CO + HF 2.50E13 0.00 0. !96BUR/ZAC 92BAU/COB (CHO) Saso change CF:O + O = CO2 + F 3.00E13 0.00 0. !96BUR/ZAC 92BAU/COB (CHO) CF:O + OH = CO2 + HF 3.00E13 0.00 0. !96BUR/ZAC 92BAU/COB (CHO) CF:O + HO2 => CO2 + F + OH 3.00E13 0.00 0. !96BUR/ZAC 86TSA/HAM (CHO) CF:O + CH3 = CH2CO + HF 2.70E13 0.00 0. !96BUR/ZAC 86TSA/HAM (CHO) CF:O + CH2F = CHFCO + HF 2.70E13 0.00 0. !96BUR/ZAC (CH3) CF:O + CF:O = CO + CF2:O 2.23E13 0.00 318. !92MAR/SZE (EXPT) !************************ !*** C2 FLUOROCARBONS *** !************************ !***************************************************** !*** Fluoroethanes: (C2H6,) CH3F, CH2F2, CHF3, CF4 *** !***************************************************** !**************************************************** !*** Fluoroethane decompositions (HF elimination) *** !**************************************************** CH3-CH2F = C2H4 + HF 2.63E13 0.00 59900. !70CAD/DAY (EXPT) CH3-CHF2 = CH2:CHF + HF 7.94E13 0.00 61900. !70TSC/QUI (EXPT) CH3-CF3 = CH2:CF2 + HF 1.00E14 0.00 68700. !71TSC/QUI (EXPT) CH2F-CH2F = CH2:CHF + HF 2.50E13 0.00 62900. !71KER/TIM (EXPT) CH2F-CHF2 = CHF:CHF[Z]+HF 1.26E14 0.00 69100. !74SEK/TSC (EXPT) CH2F-CHF2 = CH2:CF2 + HF 1.00E13 0.00 65400. !74SEK/TSC (EXPT) CH2F-CF3 = CHF:CF2 + HF 2.63E13 0.00 70700. !72MIL/TSC (EXPT) CHF2-CHF2 = CHF:CF2 + HF 2.00E13 0.00 69400. !71MIL/HAR (EXPT) CHF2-CF3 = CF2:CF2 + HF 4.00E13 0.00 71600. !71TSC/MIL (EXPT) !****************************************************** !*** Fluoroethane decompositions (C-C) **************** !*** Fluoromethyl association/stabilizations ********** !*** Fluoromethyl assocn/decompns via fluoroethanes *** !****************************************************** !******************************************** !*** Ethyl + Hydrogen with HF elimination *** !******************************************** CH2F-CH2 + H = C2H4 + HF 1.44E20 -2.12 1730. !96BUR/ZAC (RRKM) CH3-CHF + H = C2H4 + HF 2.27E20 -2.21 1950. !96BUR/ZAC (RRKM) CH2F-CHF + H = CH2:CHF + HF 2.06E23 -3.23 2280. !96BUR/ZAC (RRKM) !******************************************** CHF2-CH2 + H = CH2:CHF + HF 5.24E16 -0.933 880. !96BUR/ZAC (RRKM) CH3-CF2 + H = CH2:CHF + HF 2.09E16 -0.854 848. !96BUR/ZAC (RRKM) CHF2-CHF + H = CHF:CHF[Z]+HF 1.86E20 -2.29 1750. !96BUR/ZAC (RRKM) CHF2-CHF + H = CH2:CF2 + HF 9.95E19 -2.34 1780. !96BUR/ZAC (RRKM) CH2F-CF2 + H = CHF:CHF[Z]+HF 6.32E19 -2.21 1630. !96BUR/ZAC (RRKM) CH2F-CF2 + H = CH2:CF2 + HF 3.36E19 -2.26 1660. !96BUR/ZAC (RRKM) CF3-CH2 + H = CH2:CF2 + HF 1.12E21 -2.27 2240. !96BUR/ZAC (RRKM) CF3-CHF + H = CHF:CF2 + HF 6.56E24 -3.57 4225 ! BAW addition; C&F 113:164 (1998) CHF2-CF2 + H = CHF:CF2 + HF 1.81E22 -2.92 3070. !96BUR/ZAC (RRKM) CF3-CF2 + H = CF2:CF2 + HF 1.41E21 -2.40 3630. !96BUR/ZAC (RRKM) !****************************************** !*** Ethyl + Hydrogen with C-C breakage *** !****************************************** CH2F-CH2 + H = CH3 + CH2F 3.80E11 0.635 633. !96BUR/ZAC (RRKM) CH3-CHF + H = CH3 + CH2F 3.47E10 0.90 1370. !96BUR/ZAC (RRKM) CH2F-CHF + H = CH2F + CH2F 1.79E14 -0.105 1320. !96BUR/ZAC (RRKM) !******************************************** CHF2-CH2 + H = CH3 + CHF2 2.02E06 2.16 451. !96BUR/ZAC (RRKM) CH3-CF2 + H = CH3 + CHF2 1.62E05 2.50 1370. !96BUR/ZAC (RRKM) CHF2-CHF + H = CH2F + CHF2 6.36E12 0.318 1460. !96BUR/ZAC (RRKM) CH2F-CF2 + H = CH2F + CHF2 3.64E12 0.329 1180. !96BUR/ZAC (RRKM) CF3-CH2 + H = CH3 + CF3 2.48E11 0.816 2870. !96BUR/ZAC (RRKM) CF3-CHF + H = CF3 + CH2F 4.28E16 -0.74 4750 ! BAW addition, C&F 113:164 (1998) CHF2-CF2 + H = CHF2 + CHF2 3.25E15 -0.524 3000. !96BUR/ZAC (RRKM) CF3-CF2 + H = CHF2 + CF3 4.37E16 -0.746 4360. !96BUR/ZAC (RRKM) !*********************************************** !*** Ethyl + Hydrogen with stablized product *** !*********************************************** CH2F-CH2 + H = CH3-CH2F 1.19E35 -8.51 8140. !96BUR/ZAC (RRKM) CH3-CHF + H = CH3-CH2F 9.57E38 -9.24 7360. !96BUR/ZAC (RRKM) CH2F-CHF + H = CH2F-CH2F 1.56E45 -10.80 8070. !96BUR/ZAC (RRKM) CHF2-CH2 + H = CH3-CHF2 2.96E37 -9.05 7160. !96BUR/ZAC (RRKM) CH3-CF2 + H = CH3-CHF2 3.11E40 -9.59 7190. !96BUR/ZAC (RRKM) CHF2-CHF + H = CH2F-CHF2 1.20E44 -10.60 7520. !96BUR/ZAC (RRKM) CH2F-CF2 + H = CH2F-CHF2 2.74E43 -10.50 7670. !96BUR/ZAC (RRKM) CF3-CH2 + H = CH3-CF3 7.27E42 -9.86 7360. !96BUR/ZAC (RRKM) CHF2-CF2 + H = CHF2-CHF2 3.77E46 -10.80 8980. !96BUR/ZAC (RRKM) CF3-CF2 + H = CHF2-CF3 1.12E47 -10.80 4100. !96BUR/ZAC (RRKM) !******************************************************* !*** Methyl + Methyl combination with HF elimination *** !******************************************************* !BAW change CH3 + CH2F = C2H4 + HF 1.85E19 -1.86 1870. !CH3 + CH2F = C2H4 + HF 2.35E19 -1.86 1870. !96BUR/ZAC (RRKM) CH2F + CH2F = CH2:CHF + HF 7.56E21 -2.79 2590. !96BUR/ZAC (RRKM) ! BAW change CH3 + CHF2 = CH2:CHF + HF 1.30E15 -0.586 634. !CH3 + CHF2 = CH2:CHF + HF 1.90E15 -0.586 634. !96BUR/ZAC (RRKM) CH2F + CHF2 = CHF:CHF[Z]+HF 3.88E20 -2.35 2888. !96BUR/ZAC (RRKM) CH2F + CHF2 = CH2:CF2 + HF 2.23E20 -2.41 2910. !96BUR/ZAC (RRKM) CH3 + CF3 = CH2:CF2 + HF 5.53E19 -1.94 2440. !96BUR/ZAC (RRKM) CHF2 + CHF2 = CHF:CF2 + HF 2.20E19 -1.95 4100. !96BUR/ZAC (RRKM) CHF2 + CF3 = CF2:CF2 + HF 7.00E16 -1.17 4330. !96BUR/ZAC (RRKM) !************************************************** !*** Methyl + Methyl with product stabilization *** !************************************************** CH3 + CH2F = CH3-CH2F 1.57E31 -6.27 4440. !96BUR/ZAC (RRKM) CH2F + CH2F = CH2F-CH2F 2.37E24 -3.79 2290. !96BUR/ZAC (RRKM) CH3 + CHF2 = CH3-CHF2 1.93E35 -7.69 5760. !96BUR/ZAC (RRKM) CH2F + CHF2 = CH2F-CHF2 9.61E38 -8.36 6940. !96BUR/ZAC (RRKM) CH3 + CF3 = CH3-CF3 1.78E33 -6.64 5020. !96BUR/ZAC (RRKM) CHF2 + CHF2 = CHF2-CHF2 2.26E24 -3.50 3360. !96BUR/ZAC (RRKM) CHF2 + CF3 = CHF2-CF3 2.61E26 -4.16 4100. !96BUR/ZAC (RRKM) !CF3 + CF3 = CF3-CF3 1.63E36 -7.26 7050. !96BUR/ZAC (RRKM) CF3 + CF3 (+M) = CF3-CF3 (+M) 9.69e10 0.77 0.0 !Ar=>N2,Cobos etal,J.PhysChem,2010,114:4748-4754/vb,08-12 LOW / 2.12e60 -12.51 5910. / TROE / 0.069 260. 880. / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/0.70/ !********************************************* !*** Ethyl + Hydrogen with H atom disprop. *** !********************************************* CH2F-CH2 + H = CH3-CHF + H 1.87E01 3.10 137. !96BUR/ZAC (RRKM) CHF2-CH2 + H = CH3-CF2 + H 1.59E-3 4.35 157. !96BUR/ZAC (RRKM) CH2F-CF2 + H = CHF2-CHF + H 0.64E00 3.53 1830. !96BUR/ZAC (RRKM) !****************************************************** CF3-CF3 + H = CF3-CF2 + HF 1.00E15 0.00 30000. !96BUR/ZAC (CF4) !*********************************************************** !*** Methane + Methylene combination with HF elimination *** !*********************************************************** !**************************************************** !*** Fluorocarbenes: Reaction with Fluoromethanes *** !**************************************************** CH3F +CH2(S) = C2H4 + HF 3.00E13 0.00 0. !96BUR/ZAC 89MIL/BOW (CH4) CH2F2+CH2(S) = CH2:CHF + HF 2.00E13 0.00 0. !96BUR/ZAC 89MIL/BOW (CH4) CHF3 +CH2(S) = CH2:CF2 + HF 1.00E13 0.00 0. !96BUR/ZAC 89MIL/BOW (CH4) CF4 +CH2(S) = CHF:CF2 + HF 4.00E13 0.00 31000. !96BUR/ZAC 96ZAC/WES (BACMP4) !**************************************************** CH4 + CHF = C2H4 + HF 4.00E13 0.00 15000. !96BUR/ZAC 96ZAC/WES (BACMP4) CH3F + CHF = CH2:CHF + HF 3.00E13 0.00 15000. !96BUR/ZAC (CH4) CH2F2 + CHF = CH2:CF2 + HF 1.00E13 0.00 15000. !96BUR/ZAC (CH4) CH2F2 + CHF = CHF:CHF[Z]+HF 1.00E13 0.00 15000. !96BUR/ZAC (CH4) CHF3 + CHF = CHF:CF2 + HF 1.00E13 0.00 15000. !96BUR/ZAC (CH4) CF4 + CHF = CF2:CF2 + HF 4.00E13 0.00 31000. !96BUR/ZAC (CH4) !**************************************************** CH4 + CF2 = CH2:CHF + HF 4.00E13 0.00 41000. !96BUR/ZAC 96ZAC/WES (BACMP4) CH3F + CF2 = CH2:CF2 + HF 1.50E13 0.00 41000. !96BUR/ZAC (CH4) CH3F + CF2 = CHF:CHF[Z]+HF 1.50E13 0.00 41000. !96BUR/ZAC (CH4) CH2F2 + CF2 = CHF:CF2 + HF 2.00E13 0.00 41000. !96BUR/ZAC (CH4) CHF3 + CF2 = CF2:CF2 + HF 1.00E13 0.00 41000. !96BUR/ZAC (CH4) CF4 + CF2 => CF3-CF3 4.00E13 0.00 51000. !96BUR/ZAC (CH4) !**************************************************** CH3 + CH2F = CH4 + CHF 3.00E13 0.00 3400. !96BUR/ZAC 96ZAC/WES (BACMP4) CH2F + CH2F = CH3F + CHF 3.00E13 0.00 4800. !96BUR/ZAC (CH4) !BAW change CHF2 + CH2F = CH2F2 + CHF 1.00E13 0.00 4400. !CHF2 + CH2F = CH2F2 + CHF 3.00E13 0.00 4400. !96BUR/ZAC (CH4) CF3 + CH2F = CHF3 + CHF 3.00E13 0.00 4600. !96BUR/ZAC (CH4) !**************************************************** ! BAW change CH3 + CHF2 = CH4 + CF2 2.50E13 0.00 800. !96BUR/ZAC 67BRY/PRI (FIT) !CH3 + CHF2 = CH4 + CF2 1.80E13 0.00 800. CH2F + CHF2 = CH3F + CF2 3.00E13 0.00 2200. !96BUR/ZAC 74FOL/PRI (FIT) CHF2 + CHF2 = CH2F2 + CF2 3.00E13 0.00 1600. !96BUR/ZAC 84PRI/NIL (FIT) CF3 + CHF2 = CHF3 + CF2 3.00E13 0.00 2000. !96BUR/ZAC 69PRI/FOL (FIT) !**************************************************** !******************************************** !*** FLUOROETHANES: ABSTRACTION REACTIONS *** !******************************************** !*************************************** !*** CH3-CH2F: Reactions with H,O,OH *** !*************************************** CH3-CH2F + H = CH2F-CH2 + H2 5.50E08 1.60 9100. !96BUR/ZAC (OH) CH3-CH2F + O = CH2F-CH2 + OH 2.90E08 1.60 6100. !96BUR/ZAC (OH) CH3-CH2F + OH = CH2F-CH2 + H2O 5.50E07 1.60 1093. !96BUR/ZAC 87COH/BEN (FIT) !*************************************** CH3-CH2F + H = CH3-CHF + H2 3.30E08 1.60 9100. !96BUR/ZAC (OH) CH3-CH2F + O = CH3-CHF + OH 1.60E08 1.60 6100. !96BUR/ZAC (OH) CH3-CH2F + OH = CH3-CHF + H2O 3.30E07 1.60 1093. !96BUR/ZAC 87COH/BEN (FIT) !*************************************** !*** CH3-CHF2: Reactions with H,O,OH *** !*************************************** CH3-CHF2 + H = CHF2-CH2 + H2 1.50E08 1.60 9600. !96BUR/ZAC (OH) CH3-CHF2 + O = CHF2-CH2 + OH 7.50E08 1.60 6600. !96BUR/ZAC (OH) CH3-CHF2 + OH = CHF2-CH2 + H2O 1.54E07 1.60 1132. !96BUR/ZAC 87COH/BEN (FIT) !*************************************** CH3-CHF2 + H = CH3-CF2 + H2 0.44E08 1.60 9300. !96BUR/ZAC (OH) CH3-CHF2 + O = CH3-CF2 + OH 2.20E07 1.60 6300. !96BUR/ZAC (OH) CH3-CHF2 + OH = CH3-CF2 + H2O 0.44E07 1.60 1332. !96BUR/ZAC 87COH/BEN (FIT) !************************************** !*** CH3-CF3: Reactions with H,O,OH *** !************************************** CH3-CF3 + H = CF3-CH2 + H2 4.00E10 1.10 12700. !96BUR/ZAC (OH) CH3-CF3 + O = CF3-CH2 + OH 2.00E10 1.10 9700. !96BUR/ZAC (OH) CH3-CF3 + OH = CF3-CH2 + H2O 4.08E09 1.10 4670. !87COH/BEN (NEED) (FIT) !**************************************** !*** CH2F-CH2F: Reactions with H,O,OH *** !**************************************** CH2F-CH2F + H = CH2F-CHF + H2 6.00E08 1.70 9600. !96BUR/ZAC (OH) CH2F-CH2F + O = CH2F-CHF + OH 3.00E08 1.70 6600. !96BUR/ZAC (OH) CH2F-CH2F + OH = CH2F-CHF + H2O 6.16E07 1.70 1610. !87COH/BEN (NEED) (FIT) !**************************************** !*** CH2F-CHF2: Reactions with H,O,OH *** !**************************************** CH2F-CHF2 + H = CHF2-CHF + H2 2.00E08 1.70 9800. !96BUR/ZAC (OH) CH2F-CHF2 + O = CHF2-CHF + OH 1.00E08 1.70 6800. !96BUR/ZAC (OH) CH2F-CHF2 + OH = CHF2-CHF + H2O 2.05E07 1.70 1800. !96BUR/ZAC 87COH/BEN (FIT) !**************************************** CH2F-CHF2 + H = CH2F-CF2 + H2 1.00E08 1.70 11000. !96BUR/ZAC (OH) CH2F-CHF2 + O = CH2F-CF2 + OH 5.00E07 1.70 8000. !96BUR/ZAC (OH) CH2F-CHF2 + OH = CH2F-CF2 + H2O 1.06E07 1.70 3000. !96BUR/ZAC 87COH/BEN (FIT) !*************************************** !*** CH2F-CF3: Reactions with H,O,OH *** !*************************************** CH2F-CF3 + H = CF3-CHF + H2 2.00E08 1.70 10500. !96BUR/ZAC (OH) CH2F-CF3 + O = CF3-CHF + OH 1.00E08 1.70 7500. !96BUR/ZAC (OH) CH2F-CF3 + OH = CF3-CHF + H2O 2.10E07 1.70 2524. !87COH/BEN (NEED) (FIT) !**************************************** !*** CHF2-CHF2: Reactions with H,O,OH *** !**************************************** CHF2-CHF2 + H = CHF2-CF2 + H2 1.60E07 1.70 10600. !96BUR/ZAC (OH) CHF2-CHF2 + O = CHF2-CF2 + OH 8.00E07 1.70 7600. !96BUR/ZAC (OH) CHF2-CHF2 + OH = CHF2-CF2 + H2O 1.60E07 1.70 2643. !87COH/BEN (NEED) (FIT) !*************************************** !*** CHF2-CF3: Reactions with H,O,OH *** !*************************************** CHF2-CF3 + H = CF3-CF2 + H2 1.40E07 1.60 10200. !96BUR/ZAC (OH) CHF2-CF3 + O = CF3-CF2 + OH 7.00E07 1.60 7200. !96BUR/ZAC (OH) CHF2-CF3 + OH = CF3-CF2 + H2O 1.40E07 1.60 2246. !87COH/BEN (NEED) (FIT) !********************************************** !*** Abstraction from fluoroethanes: By HO2 *** !********************************************** CH3-CHF + H2O2 = CH3-CH2F + HO2 9.00E09 0.00 1000. !96BUR/ZAC 86TSA/HAM (C2H6) CH3-CF2 + H2O2 = CH3-CHF2 + HO2 9.00E09 0.00 1000. !96BUR/ZAC 86TSA/HAM (C2H6) CH2F-CH2 + H2O2 = CH3-CH2F + HO2 9.00E09 0.00 1000. !96BUR/ZAC 86TSA/HAM (C2H6) CH2F-CHF + H2O2 = CH2F-CH2F+ HO2 9.00E09 0.00 1000. !96BUR/ZAC 86TSA/HAM (C2H6) CH2F-CF2 + H2O2 = CH2F-CHF2+ HO2 9.00E09 0.00 1000. !96BUR/ZAC 86TSA/HAM (C2H6) CHF2-CH2 + H2O2 = CH3-CHF2 + HO2 9.00E09 0.00 1000. !96BUR/ZAC 86TSA/HAM (C2H6) CHF2-CHF + H2O2 = CH2F-CHF2+ HO2 9.00E09 0.00 1000. !96BUR/ZAC 86TSA/HAM (C2H6) CHF2-CF2 + H2O2 = CHF2-CHF2+ HO2 9.00E09 0.00 1000. !96BUR/ZAC 86TSA/HAM (C2H6) CF3-CH2 + H2O2 = CH3-CF3 + HO2 9.00E09 0.00 1000. !96BUR/ZAC 86TSA/HAM (C2H6) CF3-CHF + H2O2 = CH2F-CF3 + HO2 9.00E09 0.00 1000. !96BUR/ZAC 86TSA/HAM (C2H6) CF3-CF2 + H2O2 = CHF2-CF3 + HO2 9.00E09 0.00 1000. !96BUR/ZAC 86TSA/HAM (C2H6) !***************************************** !*** CH3-CH2F: Abstraction by CH3,C2H3 *** !***************************************** CH3-CH2F + CH3 = CH2F-CH2 + CH4 2.00E11 0.00 13400. !96BUR/ZAC 65PRI/BRY (CH3F) CH3-CH2F + C2H3 = CH2F-CH2 + C2H4 2.00E11 0.00 10000. !96BUR/ZAC (CH3) !***************************************** CH3-CH2F + CH3 = CH3-CHF + CH4 1.50E11 0.00 10000. !96BUR/ZAC 65PRI/BRY (CH3F) CH3-CH2F + C2H3 = CH3-CHF + C2H4 1.50E11 0.00 7000. !96BUR/ZAC (CH3) !***************************************** !*** CH3-CHF2: Abstraction by CH3,C2H3 *** !***************************************** CH3-CHF2 + CH3 = CHF2-CH2 + CH4 2.00E11 0.00 12000. !96BUR/ZAC (CH3-CH2F) CH3-CHF2 + C2H3 = CHF2-CH2 + C2H4 2.00E11 0.00 9000. !96BUR/ZAC (CH3) !***************************************** CH3-CHF2 + CH3 = CH3-CF2 + CH4 8.00E10 0.00 10000. !96BUR/ZAC (CH3-CH2F) CH3-CHF2 + C2H3 = CH3-CF2 + C2H4 8.00E10 0.00 7000. !96BUR/ZAC (CH3) !**************************************** !*** CH3-CF3: Abstraction by CH3,C2H3 *** !**************************************** CH3-CF3 + CH3 = CF3-CH2 + CH4 2.00E11 0.00 12000. !96BUR/ZAC (CH3-CH2F) CH3-CF3 + C2H3 = CF3-CH2 + C2H4 2.00E11 0.00 9000. !96BUR/ZAC (CH3) !****************************************** !*** CH2F-CH2F: Abstraction by CH3,C2H3 *** !****************************************** CH2F-CH2F + CH3 = CH2F-CHF + CH4 3.00E11 0.00 10400. !96BUR/ZAC (CH3-CH2F) CH2F-CH2F + C2H3 = CH2F-CHF + C2H4 3.00E11 0.00 7000. !96BUR/ZAC (CH3) !****************************************** !*** CH2F-CHF2: Abstraction by CH3,C2H3 *** !****************************************** CH2F-CHF2 + CH3 = CHF2-CHF + CH4 2.00E11 0.00 10000. !96BUR/ZAC (CH3-CH2F) CH2F-CHF2 + C2H3 = CHF2-CHF + C2H4 2.00E11 0.00 7000. !96BUR/ZAC (CH3) !****************************************** CH2F-CHF2 + CH3 = CH2F-CF2 + CH4 1.00E11 0.00 9600. !96BUR/ZAC (CH3-CH2F) CH2F-CHF2 + C2H3 = CH2F-CF2 + C2H4 1.00E11 0.00 7000. !96BUR/ZAC (CH3) !***************************************** !*** CH2F-CF3: Abstraction by CH3,C2H3 *** !***************************************** CH2F-CF3 + CH3 = CF3-CHF + CH4 2.00E11 0.00 10000. !96BUR/ZAC (CH3-CH2F) CH2F-CF3 + C2H3 = CF3-CHF + C2H4 2.00E11 0.00 7000. !96BUR/ZAC (CH3) !****************************************** !*** CHF2-CHF2: Abstraction by CH3,C2H3 *** !****************************************** CHF2-CHF2 + CH3 = CHF2-CF2 + CH4 3.00E11 0.00 10000. !96BUR/ZAC (CH3-CH2F) CHF2-CHF2 + C2H3 = CHF2-CF2 + C2H4 3.00E11 0.00 7000. !96BUR/ZAC (CH3) !***************************************** !*** CH2F-CF3: Abstraction by CH3,C2H3 *** !***************************************** CHF2-CF3 + CH3 = CF3-CF2 + CH4 5.70E10 0.00 9500. !64PRI/THO (EXPT) CHF2-CF3 + C2H3 = CF3-CF2 + C2H4 6.00E10 0.00 7000. !96BUR/ZAC (CH3) !gtl changes 10-30-09 from new rates provided by Don Burgess email !***************************************** !*** CH2F-CF3: Abstraction by CH3CH2 etc. !***************************************** !rxns provided by don burgess to gtl in fall 2009 !CHF2-CF3 + CH3CH2(S) = CF3-CF2 + C2H6 5.7E10 0.0 11800. !CHF2-CF3 + CH3CH2CH2(S) = CF3-CF2 + C3H8 5.7E10 0.0 10300. !CHF2-CF3 + CH3CH*CH3 = CF3-CF2 + C3H8 5.7E10 0.0 13500. !CHF2-CF3 + *CH2CH2OH = CF3-CF2 + C2H5OH 5.7E10 0.0 10600. !CHF2-CF3 + CH3CH*OH = CF3-CF2 + C2H5OH 5.7E10 0.0 15900. !CHF2-CF3 + CH3CH2O* = CF3-CF2 + C2H5OH 5.7E10 0.0 8900. !species names made consistent with mech of fldryer CHF2-CF3 + C2H5 = CF3-CF2 + C2H6 5.7E10 0.0 11800. !vb CHF2-CF3 + NC3H7 = CF3-CF2 + C3H8 5.7E10 0.0 10300. !vb CHF2-CF3 + IC3H7 = CF3-CF2 + C3H8 5.7E10 0.0 13500. CHF2-CF3 + C2H5O = CF3-CF2 + C2H5OH 5.7E10 0.0 10600. CHF2-CF3 + SC2H4OH = CF3-CF2 + C2H5OH 5.7E10 0.0 15900. CHF2-CF3 + PC2H4OH = CF3-CF2 + C2H5OH 5.7E10 0.0 8900. !********************************************************** !*** Fluoroethanes: CH2SING insertion & CH3 elimination *** !********************************************************** !*********************************************** !*** Abstraction from fluoroethanes: By CH2F *** !*********************************************** CH3-CH2F + CH2F = CH2F-CH2 + CH3F 2.00E11 0.00 13000. !96BUR/ZAC (CH3) CH3-CH2F + CH2F = CH3-CHF + CH3F 1.50E11 0.00 10000. !96BUR/ZAC (CH3) CH3-CHF2 + CH2F = CHF2-CH2 + CH3F 2.00E11 0.00 12000. !96BUR/ZAC (CH3) CH3-CHF2 + CH2F = CH3-CF2 + CH3F 8.00E10 0.00 10000. !96BUR/ZAC (CH3) CH3-CF3 + CH2F = CF3-CH2 + CH3F 2.00E11 0.00 12000. !96BUR/ZAC (CH3) CH2F-CH2F + CH2F = CH2F-CHF + CH3F 3.00E11 0.00 10000. !96BUR/ZAC (CH3) CH2F-CHF2 + CH2F = CHF2-CHF + CH3F 2.00E11 0.00 10000. !96BUR/ZAC (CH3) CH2F-CHF2 + CH2F = CH2F-CF2 + CH3F 1.00E11 0.00 10000. !96BUR/ZAC (CH3) CH2F-CF3 + CH2F = CF3-CHF + CH3F 2.00E11 0.00 10000. !96BUR/ZAC (CH3) CHF2-CHF2 + CH2F = CHF2-CF2 + CH3F 3.00E11 0.00 11000. !96BUR/ZAC (CH3) CHF2-CF3 + CH2F = CF3-CF2 + CH3F 2.00E11 0.00 10000. !96BUR/ZAC (CH3) !*********************************************** !*** Abstraction from fluoroethanes: By CHF2 *** !*********************************************** CH3-CH2F + CHF2 = CH2F-CH2 + CH2F2 2.00E11 0.00 13000. !96BUR/ZAC (CH3) CH3-CH2F + CHF2 = CH3-CHF + CH2F2 1.50E11 0.00 10000. !96BUR/ZAC (CH3) CH3-CHF2 + CHF2 = CHF2-CH2 + CH2F2 2.00E11 0.00 12000. !96BUR/ZAC (CH3) CH3-CHF2 + CHF2 = CH3-CF2 + CH2F2 8.00E10 0.00 10000. !96BUR/ZAC (CH3) CH3-CF3 + CHF2 = CF3-CH2 + CH2F2 2.00E11 0.00 12000. !96BUR/ZAC (CH3) CH2F-CH2F + CHF2 = CH2F-CHF + CH2F2 3.00E11 0.00 10000. !96BUR/ZAC (CH3) CH2F-CHF2 + CHF2 = CHF2-CHF + CH2F2 2.00E11 0.00 10000. !96BUR/ZAC (CH3) CH2F-CHF2 + CHF2 = CH2F-CF2 + CH2F2 1.00E11 0.00 10000. !96BUR/ZAC (CH3) CH2F-CF3 + CHF2 = CF3-CHF + CH2F2 2.00E11 0.00 10000. !96BUR/ZAC (CH3) CHF2-CHF2 + CHF2 = CHF2-CF2 + CH2F2 3.00E11 0.00 10000. !96BUR/ZAC (CH3) CHF2-CF3 + CHF2 = CF3-CF2 + CH2F2 2.00E11 0.00 10000. !96BUR/ZAC (CH3) !********************************************** !*** Abstraction from fluoroethanes: By CF3 *** !********************************************** CH3-CH2F + CF3 = CH2F-CH2 + CHF3 9.50E11 0.00 8200. !71QUI/WHI (EXPT) CH3-CH2F + CF3 = CH3-CHF + CHF3 9.50E11 0.00 8200. !71QUI/WHI (EXPT) CH3-CHF2 + CF3 = CHF2-CH2 + CHF3 3.10E10 0.00 7100. !66OKS/PRA (EXPT) CH3-CHF2 + CF3 = CH3-CF2 + CHF3 3.10E10 0.00 7100. !66OKS/PRA (EXPT) CH3-CF3 + CF3 = CF3-CH2 + CHF3 1.45E12 0.00 13500. !67GIL/QUI (EXPT) CH2F-CH2F + CF3 = CH2F-CHF + CHF3 5.00E11 0.00 7600. !96BUR/ZAC 71QUI/WHI (CH3-CH2F) CH2F-CHF2 + CF3 = CHF2-CHF + CHF3 3.00E11 0.00 7200. !96BUR/ZAC 71QUI/WHI (CH3-CH2F) CH2F-CHF2 + CF3 = CH2F-CF2 + CHF3 2.00E11 0.00 8000. !96BUR/ZAC 71QUI/WHI (CH3-CH2F) CH2F-CF3 + CF3 = CF3-CHF + CHF3 3.00E11 0.00 6400. !96BUR/ZAC 71QUI/WHI (CH3-CH2F) CHF2-CHF2 + CF3 = CHF2-CF2 + CHF3 5.70E11 0.00 11900. !67GIL/QUI (EXPT) CHF2-CF3 + CF3 = CF3-CF2 + CHF3 1.40E11 0.00 10100. !67GIL/QUI (EXPT) !******************** !*** FLUOROETHYLS *** !******************** !********************************************************* !*** Fluoroethyl decompositions (see H + fluoroethene) *** !********************************************************* !************************************** !*** Fluoroethyl associations: + O2 *** !************************************** CH3-CHF + O2 = CH2:CHF + HO2 2.56E19 -2.77 1977. !96BUR/ZAC 90BOZ/DEA (C2H5) CH3-CF2 + O2 = CH2:CF2 + HO2 2.56E19 -2.77 1977. !96BUR/ZAC 90BOZ/DEA (C2H5) !************************************** CH2F-CH2 + O2 = CH2:CHF + HO2 2.56E19 -2.77 1977. !96BUR/ZAC 90BOZ/DEA (C2H5) CH2F-CHF + O2 = CHF:CHF[Z]+HO2 2.56E19 -2.77 1977. !96BUR/ZAC 90BOZ/DEA (C2H5) CH2F-CF2 + O2 = CHF:CF2 + HO2 2.56E19 -2.77 1977. !96BUR/ZAC 90BOZ/DEA (C2H5) !************************************** CHF2-CH2 + O2 = CH2:CF2 + HO2 2.56E19 -2.77 1977. !96BUR/ZAC 90BOZ/DEA (C2H5) CHF2-CHF + O2 = CHF:CF2 + HO2 2.56E19 -2.77 1977. !96BUR/ZAC 90BOZ/DEA (C2H5) CHF2-CF2 + O2 = CF2:CF2 + HO2 2.56E19 -2.77 1977. !96BUR/ZAC 90BOZ/DEA (C2H5) !************************************** CF3-CH2 + O2 => CF3 + CH2O + O 1.30E13 0.00 44000. !96BUR/ZAC (CF3) CF3-CHF + O2 => CF3 + CHF:O+ O 1.30E13 0.00 23000. !96BUR/ZAC (CF3) CF3-CF2 + O2 => CF3 + CF2:O+ O 1.30E13 0.00 23000. !96BUR/ZAC (CF3) !************************************* !*** Fluoroethyl associations: + O *** !************************************* !************************************* CH2F-CH2 + O = CH2CO+HF + H 6.60E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) CHF2-CH2 + O = CHFCO+HF + H 6.60E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) CF3-CH2 + O = CF2CO+HF + H 6.60E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) !************************************* CH3-CHF + O = CH2CO+HF + H 4.40E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) CH2F-CHF + O = CHFCO+HF + H 4.40E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) CHF2-CHF + O = CF2CO+HF + H 4.40E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) CF3-CHF + O =>CF3+CF:O + H 4.40E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) !************************************* CH3-CF2 + O = CH2CO+HF + F 2.20E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) CH2F-CF2 + O = CHFCO+HF + F 2.20E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) CHF2-CF2 + O = CF2CO+HF + F 2.20E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) CF3-CF2 + O =>CF3+CF:O + F 2.20E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) !************************************* CH2F-CH2 + O = CH2O + CH2F 3.30E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) CHF2-CH2 + O = CH2O + CHF2 3.30E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) CF3-CH2 + O = CH2O + CF3 3.30E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) !************************************* CH3-CHF + O = CHF:O + CH3 2.20E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) CH2F-CHF + O = CHF:O + CH2F 2.20E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) CHF2-CHF + O = CHF:O + CHF2 2.20E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) CF3-CHF + O = CHF:O + CF3 2.20E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) !************************************* CH3-CF2 + O = CF2:O + CH3 1.10E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) CH2F-CF2 + O = CF2:O + CH2F 1.10E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) CHF2-CF2 + O = CF2:O + CHF2 1.10E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) CF3-CF2 + O = CF2:O + CF3 1.10E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) !************************************** !*** Fluoroethyl associations: + OH *** !************************************** CH2F-CH2 + OH =>CH2CO+HF + H2 6.60E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5+O) CHF2-CH2 + OH =>CHFCO+HF + H2 6.60E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5+O) CF3-CH2 + OH =>CF2CO+HF + H2 6.60E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5+O) !************************************* CH3-CHF + OH =>CH2CO+H2 + HF 4.40E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5+O) CH2F-CHF + OH =>CH2CO+HF + HF 4.40E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5+O) CHF2-CHF + OH =>CHFCO+HF + HF 4.40E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5+O) CF3-CHF + OH =>CF2CO+HF + HF 4.40E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5+O) !************************************* CH3-CF2 + OH =>CH2CO+HF + HF 2.20E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5+O) CH2F-CF2 + OH =>CHFCO+HF + HF 2.20E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5+O) CHF2-CF2 + OH =>CF2CO+HF + HF 2.20E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5+O) CF3-CF2 + OH =>CF3+CF:O + HF 2.20E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5+O) !************************************* CH2F-CH2 + OH = CH2:CHF + H2O 6.60E13 0. 3000. !96BUR/ZAC (HF-Elimination) CHF2-CH2 + OH = CH2:CF2 + H2O 4.40E13 0. 3000. !96BUR/ZAC (HF-Elimination) !************************************* CH3-CHF + OH = CH2:CHF + H2O 6.60E13 0. 3000. !96BUR/ZAC (HF-Elimination) CH2F-CHF + OH = CHF:CHF[Z]+H2O 4.40E13 0. 3000. !96BUR/ZAC (HF-Elimination) CHF2-CHF + OH = CHF:CF2 + H2O 2.20E13 0. 3000. !96BUR/ZAC (HF-Elimination) !************************************* CH3-CF2 + OH = CH2:CF2 + H2O 6.60E13 0. 3000. !96BUR/ZAC (HF-Elimination) CH2F-CF2 + OH = CHF:CF2 + H2O 4.40E13 0. 3000. !96BUR/ZAC (HF-Elimination) CHF2-CF2 + OH = CF2:CF2 + H2O 2.20E13 0. 3000. !96BUR/ZAC (HF-Elimination) !************************************* !*** Disproportionation with CH3 ***** !************************************* CH2F-CH2 + CH3 = CH2:CHF + CH4 1.30E13 -0.5 0. !96BUR/ZAC (NEED) (C2H5) CHF2-CH2 + CH3 = CH2:CF2 + CH4 6.50E12 -0.5 0. !96BUR/ZAC (NEED) (C2H5) !************************************* CH3-CHF + CH3 = CH2:CHF + CH4 1.95E13 -0.5 0. !96BUR/ZAC (NEED) (C2H5) CH2F-CHF + CH3 = CHF:CHF[Z]+CH4 1.30E13 -0.5 0. !96BUR/ZAC (NEED) (C2H5) CHF2-CHF + CH3 = CHF:CF2 + CH4 6.50E12 -0.5 0. !96BUR/ZAC (NEED) (C2H5) !************************************* CH3-CF2 + CH3 = CH2:CF2 + CH4 1.95E13 -0.5 0. !96BUR/ZAC (NEED) (C2H5) CH2F-CF2 + CH3 = CHF:CF2 + CH4 1.30E13 -0.5 0. !96BUR/ZAC (NEED) (C2H5) CHF2-CF2 + CH3 = CF2:CF2 + CH4 6.50E12 -0.5 0. !96BUR/ZAC (NEED) (C2H5) !************************************** !*** Fluoroethyls reaction with HO2 *** !************************************** CH3-CHF + HO2 =>CH3+CHF:O+ OH 3.00E13 0. 0. !96BUR/ZAC (upper-limit) CH3-CF2 + HO2 =>CH3+CF2:O+ OH 3.00E13 0. 0. !96BUR/ZAC (upper-limit) CH2F-CH2 + HO2 =>CH2F+CH2O+ OH 3.00E13 0. 0. !96BUR/ZAC (upper-limit) CH2F-CHF + HO2 =>CH2F+CHF:O+OH 3.00E13 0. 0. !96BUR/ZAC (upper-limit) CH2F-CF2 + HO2 =>CH2F+CF2:O+OH 3.00E13 0. 0. !96BUR/ZAC (upper-limit) CHF2-CH2 + HO2 =>CHF2+CH2O+ OH 3.00E13 0. 0. !96BUR/ZAC (upper-limit) CHF2-CHF + HO2 =>CHF2+CHF:O+OH 3.00E13 0. 0. !96BUR/ZAC (upper-limit) CHF2-CF2 + HO2 =>CHF2+CF2:O+OH 3.00E13 0. 0. !96BUR/ZAC (upper-limit) CF3-CH2 + HO2 =>CF3 +CH2O+ OH 3.00E13 0. 0. !96BUR/ZAC (upper-limit) CF3-CHF + HO2 =>CF3 +CHF:O+OH 3.00E13 0. 0. !96BUR/ZAC (upper-limit) CF3-CF2 + HO2 =>CF3 +CF2:O+OH 3.00E13 0. 0. !96BUR/ZAC (upper-limit) !************************************************************ CH3-CHF + HO2 = CH2:CHF + H2O2 3.00E11 0. 0. !96BUR/ZAC (upper-limit) CH3-CF2 + HO2 = CH2:CF2 + H2O2 3.00E11 0. 0. !96BUR/ZAC (upper-limit) CH2F-CH2 + HO2 = CH2:CHF + H2O2 2.00E11 0. 0. !96BUR/ZAC (upper-limit) CH2F-CHF + HO2 = CHF:CHF[Z]+H2O2 4.00E11 0. 0. !96BUR/ZAC (upper-limit) CH2F-CF2 + HO2 = CHF:CF2 + H2O2 2.00E11 0. 0. !96BUR/ZAC (upper-limit) CHF2-CH2 + HO2 = CH2:CF2 + H2O2 1.00E11 0. 0. !96BUR/ZAC (upper-limit) CHF2-CHF + HO2 = CHF:CF2 + H2O2 1.00E11 0. 0. !96BUR/ZAC (upper-limit) CHF2-CF2 + HO2 = CF2:CF2 + H2O2 1.00E11 0. 0. !96BUR/ZAC (upper-limit) !************************************************************ CH3-CHF + HO2 = CH3-CH2F + O2 3.00E11 0. 0. !96BUR/ZAC (upper-limit) CH3-CF2 + HO2 = CH3-CHF2 + O2 3.00E11 0. 0. !96BUR/ZAC (upper-limit) CH2F-CH2 + HO2 = CH3-CH2F + O2 3.00E11 0. 0. !96BUR/ZAC (upper-limit) CH2F-CHF + HO2 = CH2F-CH2F+ O2 3.00E11 0. 0. !96BUR/ZAC (upper-limit) CH2F-CF2 + HO2 = CH2F-CHF2+ O2 3.00E11 0. 0. !96BUR/ZAC (upper-limit) CHF2-CH2 + HO2 = CH3-CHF2 + O2 3.00E11 0. 0. !96BUR/ZAC (upper-limit) CHF2-CHF + HO2 = CH2F-CHF2+ O2 3.00E11 0. 0. !96BUR/ZAC (upper-limit) CHF2-CF2 + HO2 = CHF2-CHF2+ O2 3.00E11 0. 0. !96BUR/ZAC (upper-limit) CF3-CH2 + HO2 = CH3-CF3 + O2 3.00E11 0. 0. !96BUR/ZAC (upper-limit) CF3-CHF + HO2 = CH2F-CF3 + O2 3.00E11 0. 0. !96BUR/ZAC (upper-limit) CF3-CF2 + HO2 = CHF2-CF3 + O2 3.00E11 0. 0. !96BUR/ZAC (upper-limit) !************ CH3-CHF + CH2O = CH3-CH2F + HCO 5.50E03 2.80 5900. !96BUR/ZAC 86TSA/HAM (C2H5) CH3-CF2 + CH2O = CH3-CHF2 + HCO 5.50E03 2.80 5900. !96BUR/ZAC 86TSA/HAM (C2H5) CH2F-CH2 + CH2O = CH3-CH2F + HCO 5.50E03 2.80 5900. !96BUR/ZAC 86TSA/HAM (C2H5) CH2F-CHF + CH2O = CH2F-CH2F+ HCO 5.50E03 2.80 5900. !96BUR/ZAC 86TSA/HAM (C2H5) CH2F-CF2 + CH2O = CH2F-CHF2+ HCO 5.50E03 2.80 5900. !96BUR/ZAC 86TSA/HAM (C2H5) CHF2-CH2 + CH2O = CH3-CHF2 + HCO 5.50E03 2.80 5900. !96BUR/ZAC 86TSA/HAM (C2H5) CHF2-CHF + CH2O = CH2F-CHF2+ HCO 5.50E03 2.80 5900. !96BUR/ZAC 86TSA/HAM (C2H5) CHF2-CF2 + CH2O = CHF2-CHF2+ HCO 5.50E03 2.80 5900. !96BUR/ZAC 86TSA/HAM (C2H5) CF3-CH2 + CH2O = CH3-CF3 + HCO 5.50E03 2.80 5900. !96BUR/ZAC 86TSA/HAM (C2H5) CF3-CHF + CH2O = CH2F-CF3 + HCO 5.50E03 2.80 5900. !96BUR/ZAC 86TSA/HAM (C2H5) CF3-CF2 + CH2O = CHF2-CF3 + HCO 5.50E03 2.80 5900. !96BUR/ZAC 86TSA/HAM (C2H5) !*********************** !*** FLUOROETHYLENES *** !*********************** !************************************** !*** Fluoroethylenes: Isomerization *** !************************************** !********************************************** !*** Fluoroethylenes: HF elimination (kINF) *** !********************************************** !BAW change these to falloff, add 3rd body efficiencies !CH2:CHF = C2H2 + HF 1.00E14 0.00 70800. !70SIM/QUI (EXPT) CH2:CHF ( +M) = C2H2 + HF (+M) 1.00E14 0.00 70800. LOW / 4.20E15 1.00 70800./ H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ CH3F /6.00/ CH2F2 /6.00/ CHF3 /6.00/ HF /2.00/ !CH2:CF2 = C2HF + HF 2.50E14 0.00 86000. !70SIM/TSC (EXPT) CH2:CF2 (+M) = C2HF + HF (+M) 2.50E14 0.00 86000. LOW /9.00E15 1.00 86000./ H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ CH3F /6.00/ CH2F2 /6.00/ CHF3 /6.00/ HF /2.00/ !CHF:CHF[Z] = C2HF + HF 2.50E14 0.00 78000. !96BUR/ZAC 70SIM/TSC (CH2:CF2) CHF:CHF[Z] (+M) = C2HF + HF (+M) 2.50E14 0.00 78000. LOW / 9.00E15 1.00 78000./ H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ CH3F /6.00/ CH2F2 /6.00/ CHF3 /6.00/ HF /2.00/ !CHF:CF2 = C2F2 + HF 2.50E14 0.00 100000. !96BUR/ZAC 70SIM/TSC (CH2:CF2) CHF:CF2 (+M) = C2F2 + HF (+M) 2.50E14 0.00 100000. LOW / 9.00E15 1.00 100000./ H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ CH3F /6.00/ CH2F2 /6.00/ CHF3 /6.00/ HF /2.00/ !************************************** !*** Fluoroethylenes: Decomposition *** !************************************** CH2(S) + CHF = C2H2 + HF 17.02E19 -2.12 2380. !96BUR/ZAC (CHF+CF2) CH2(S) + CF2 = C2HF + HF 17.02E19 -2.12 2380. !96BUR/ZAC (CHF+CF2) CHF + CHF = C2HF + HF 17.02E19 -2.12 2380. !96BUR/ZAC (CHF+CF2) CHF + CF2 = C2F2 + HF 8.51E19 -2.12 2380. !96BUR/ZAC (RRKM) !************************************** CH2(S) + CHF = CH2:CHF 3.10E24 -3.80 2830. !96BUR/ZAC (CHF+CF2) CH2(S) + CF2 = CH2:CF2 3.10E24 -3.80 2830. !96BUR/ZAC (CHF+CF2) CHF + CHF = CHF:CHF[Z] 3.10E24 -3.80 2830. !96BUR/ZAC (CHF+CF2) CHF + CF2 = CHF:CF2 3.10E24 -3.80 2830. !96BUR/ZAC (RRKM) !************************************** CH2(S) + CHF = CH2:CF + H 1.64E07 1.56 5740. !96BUR/ZAC (CHF+CF2) CH2(S) + CHF = CHF:CH[Z] + H 1.64E07 1.56 5740. !96BUR/ZAC (CHF+CF2) CH2(S) + CF2 = CF2:CH + H 3.28E07 1.56 5740. !96BUR/ZAC (CHF+CF2) CHF + CHF = CHF:CF[Z] + H 1.64E07 1.56 5740. !96BUR/ZAC (CHF+CF2) CHF + CF2 = CF2:CF + H 1.64E07 1.56 5740. !96BUR/ZAC (RRKM) !************************************** CH2:CF + H = C2H2 + HF 5.98E20 -2.31 1940. !96BUR/ZAC (CHF+CF2) CHF:CH[Z] + H = C2H2 + HF 5.98E20 -2.31 1940. !96BUR/ZAC (CHF+CF2) CF2:CH + H = C2HF + HF 5.98E20 -2.31 1940. !96BUR/ZAC (CHF+CF2) CHF:CF[Z] + H = C2HF + HF 5.98E20 -2.31 1940. !96BUR/ZAC (CHF+CF2) CF2:CF + H = C2F2 + HF 5.98E20 -2.31 1940. !96BUR/ZAC (RRKM) !************************************** CH2:CF + H = CH2:CHF 2.40E34 -7.11 5040. !96BUR/ZAC (CHF+CF2) CHF:CH[Z] + H = CH2:CHF 2.40E34 -7.11 5040. !96BUR/ZAC (CHF+CF2) CF2:CH + H = CH2:CF2 2.40E34 -7.11 5040. !96BUR/ZAC (CHF+CF2) CHF:CF[Z] + H = CHF:CHF[Z] 2.40E34 -7.11 5040. !96BUR/ZAC (CHF+CF2) CF2:CF + H = CHF:CF2 2.40E34 -7.11 5040. !96BUR/ZAC (RRKM) !************************************** CF2:CF2 + M = CF2 + CF2 + M 3.96E50 -9.06 85300. !96BUR/ZAC 78SCH/WAG (RRKM) !***************************************************** !*** Fluoroethylene + H: Association/Stabilization *** !***************************************************** CH2:CHF + H(+M)= CH2F-CH2 (+M) 4.20E08 1.5 990. !96BUR/ZAC 86TSA/HAM (C2H4) LOW/3.19E27 -2.8 -54./ ! H2/2.0/ CO/2.0/ CO2/3.0/ H2O/5.0/ ! CH2:CHF + H(+M)= CH3-CHF (+M) 4.20E08 1.5 990. !96BUR/ZAC 86TSA/HAM (C2H4) LOW/3.19E27 -2.8 -54./ ! H2/2.0/ CO/2.0/ CO2/3.0/ H2O/5.0/ ! CH2:CF2 + H(+M)= CHF2-CH2 (+M) 4.20E08 1.5 990. !96BUR/ZAC 86TSA/HAM (C2H4) LOW/3.19E27 -2.8 -54./ ! H2/2.0/ CO/2.0/ CO2/3.0/ H2O/5.0/ ! CH2:CF2 + H(+M)= CH3-CF2 (+M) 4.20E08 1.5 990. !96BUR/ZAC 86TSA/HAM (C2H4) LOW/3.19E27 -2.8 -54./ ! H2/2.0/ CO/2.0/ CO2/3.0/ H2O/5.0/ ! CHF:CHF[Z]+ H(+M)= CH2F-CHF (+M) 8.40E08 1.5 990. !96BUR/ZAC 86TSA/HAM (C2H4) LOW/6.37E27 -2.8 -54./ ! H2/2.0/ CO/2.0/ CO2/3.0/ H2O/5.0/ ! CHF:CF2 + H(+M)= CHF2-CHF (+M) 4.20E08 1.5 990. !96BUR/ZAC 86TSA/HAM (C2H4) LOW/3.19E27 -2.8 -54./ ! H2/2.0/ CO/2.0/ CO2/3.0/ H2O/5.0/ ! CHF:CF2 + H(+M)= CH2F-CF2 (+M) 4.20E08 1.5 990. !96BUR/ZAC 86TSA/HAM (C2H4) LOW/3.19E27 -2.8 -54./ ! H2/2.0/ CO/2.0/ CO2/3.0/ H2O/5.0/ ! CF2:CF2 + H(+M)= CHF2-CF2 (+M) 8.40E08 1.5 990. !96BUR/ZAC 86TSA/HAM (C2H4) LOW/6.37E27 -2.8 -54./ ! H2/2.0/ CO/2.0/ CO2/3.0/ H2O/5.0/ ! !*********************************************************** !*** Fluoroethylene + H: Association with HF-Elimination *** !*********************************************************** !****************************************** !*** Fluoroethylenes + H: H-Abstraction *** !****************************************** CH2:CHF + H = CHF:CH[Z]+ H2 0.33E06 2.53 12241. !96BUR/ZAC 86TSA/HAM (C2H4) CH2:CHF + H = CH2:CF + H2 0.33E06 2.53 12241. !96BUR/ZAC 86TSA/HAM (C2H4) CH2:CF2 + H = CF2:CH + H2 0.67E06 2.53 12241. !96BUR/ZAC 86TSA/HAM (C2H4) CHF:CHF[Z]+ H = CHF:CF[Z]+ H2 0.33E06 2.53 12241. !96BUR/ZAC 86TSA/HAM (C2H4) CHF:CF2 + H = CF2:CF + H2 0.33E06 2.53 12241. !96BUR/ZAC 86TSA/HAM (C2H4) !****************************************** !*** Fluoroethylenes + F: H-Elimination *** !****************************************** C2H4 + F = CH2:CHF + H 2.00E13 0.00 0. !96BUR/ZAC (upper-limit) CH2:CHF + F = CH2:CF2 + H 2.00E12 0.00 0. !96BUR/ZAC (upper-limit) CH2:CHF + F = CHF:CHF[Z]+H 5.00E12 0.00 0. !96BUR/ZAC (upper-limit) CHF:CHF[Z] + F = CHF:CF2 + H 4.00E12 0.00 0. !96BUR/ZAC (upper-limit) CHF:CF2 + F = CF2:CF2 + H 2.00E12 0.00 0. !96BUR/ZAC (upper-limit) !******************************************************* !*** Fluoroethylene + O: Isomerization/decomposition *** !******************************************************* CH2:CHF + O = CH2F + HCO 5.30E09 1.00 1310. !96BUR/ZAC 87CVE (FIT) CHF:CHF[Z]+ O = CH2F + CF:O 7.00E09 1.00 1590. !96BUR/ZAC 87CVE (FIT) CH2:CF2 + O = CHF2 + HCO 4.30E09 1.00 1490. !96BUR/ZAC 87CVE (FIT) CHF:CF2 + O = CHF2 + CF:O 6.00E09 1.00 1150. !96BUR/ZAC 87CVE (FIT) !BAW added these two channels CHF:CF2 + O = CF2 + CHF:O 0.32E07 2.00 0. ! C2F4+O CHF:CF2 + O = CHF + CF2:O 0.32E07 2.00 2000. ! C2F4+O CF2:CF2 + O = CF2 + CF2:O 1.90E09 1.00 0. !96BUR/ZAC 87CVE (FIT) !******************************************************* CH2:CHF + O = CH3 + CF:O 5.30E09 1.00 2300. !96BUR/ZAC 74SLA/GUT (FIT) !********************************************* !*** Fluoroethylene + OH: Abstraction of H *** !********************************************* CH2:CHF + OH = CHF:CH[Z]+ H2O 2.00E06 2.00 2850. !96BUR/ZAC 88TUL (C2H4) CH2:CHF + OH = CH2:CF + H2O 1.00E06 2.00 2850. !96BUR/ZAC 88TUL (C2H4) CHF:CHF[Z]+ OH = CHF:CF[Z]+ H2O 2.00E06 2.00 2850. !96BUR/ZAC 88TUL (C2H4) CH2:CF2 + OH = CF2:CH + H2O 2.00E06 2.00 2850. !96BUR/ZAC 88TUL (C2H4) CHF:CF2 + OH = CF2:CF + H2O 1.00E06 2.00 2850. !96BUR/ZAC 88TUL (C2H4) !BAW added CHF:CF2 +OH = CF2:O + CH2F 2E06 2.00 2850 CHF:CF2 + OH = CHF:O + CHF2 4E06 2.00 2850 !******************************************************************************* !*** FLUOROVINYLS ************************************************************** !******************************************************************************* !************************************************ !*** Fluorovinyl + O2: Addition/decomposition *** !************************************************ CH2:CF + O2 = CH2O + CF:O 4.48E26 -4.55 5480. !96BUR/ZAC 92WES (C2H3) DUP CHF:CH[Z] + O2 = CHF:O + HCO 4.48E26 -4.55 5480. !96BUR/ZAC 92WES (C2H3) DUP CHF:CF[Z] + O2 = CHF:O + CF:O 4.48E26 -4.55 5480. !96BUR/ZAC 92WES (C2H3) DUP CF2:CH + O2 = CF2:O + HCO 4.48E26 -4.55 5480. !96BUR/ZAC 92WES (C2H3) DUP CF2:CF + O2 = CF2:O + CF:O 4.48E26 -4.55 5480. !96BUR/ZAC 92WES (C2H3) DUP !************************************************ CH2:CF + O2 = CH2O + CF:O 1.05E38 -8.22 7030. !96BUR/ZAC 92WES (C2H3) DUP CHF:CH[Z] + O2 = CHF:O + HCO 1.05E38 -8.22 7030. !96BUR/ZAC 92WES (C2H3) DUP CHF:CF[Z] + O2 = CHF:O + CF:O 1.05E38 -8.22 7030. !96BUR/ZAC 92WES (C2H3) DUP CF2:CH + O2 = CF2:O + HCO 1.05E38 -8.22 7030. !96BUR/ZAC 92WES (C2H3) DUP CF2:CF + O2 = CF2:O + CF:O 1.05E38 -8.22 7030. !96BUR/ZAC 92WES (C2H3) DUP !************************************************ !*********************************************** !*** Fluorovinyl + O: Addition/decomposition *** !*********************************************** CH2:CF + O = CH2CO + F 3.00E13 0.00 0. !96BUR/ZAC 84WAR (C2H3) CHF:CH[Z] + O = CHFCO + H 3.00E13 0.00 0. !96BUR/ZAC 84WAR (C2H3) CHF:CF[Z] + O = CHFCO + F 3.00E13 0.00 0. !96BUR/ZAC 84WAR (C2H3) CF2:CH + O = CF2CO + H 3.00E13 0.00 0. !96BUR/ZAC 84WAR (C2H3) CF2:CF + O = CF2CO + F 3.00E13 0.00 0. !96BUR/ZAC 84WAR (C2H3) !************************************************ !*** Fluorovinyl + OH: Addition/decomposition *** !************************************************ CH2:CF + OH = CH2CO + HF 3.00E13 0.00 0. !96BUR/ZAC 86TSA/HAM (C2H3) CHF:CH[Z] + OH = CH2CO + HF 3.00E13 0.00 0. !96BUR/ZAC 86TSA/HAM (C2H3) CHF:CF[Z] + OH = CHFCO + HF 2.00E13 0.00 0. !96BUR/ZAC 86TSA/HAM (C2H3) CF2:CF + OH = CF2CO + HF 1.00E13 0.00 0. !96BUR/ZAC 86TSA/HAM (C2H3) !************************************************ CH2:CF + OH = CH3 + CF:O 3.00E13 0.00 0. !96BUR/ZAC 86TSA/HAM (C2H3) CHF:CH[Z] + OH = CH2F + HCO 3.00E13 0.00 0. !96BUR/ZAC 86TSA/HAM (C2H3) CHF:CF[Z] + OH = CH2F + CF:O 4.00E13 0.00 0. !96BUR/ZAC 86TSA/HAM (C2H3) CF2:CF + OH = CHF2 + CF:O 5.00E13 0.00 0. !96BUR/ZAC 86TSA/HAM (C2H3) !****************************************************************************** !*** FLUOROETHYNES ************************************************************ !****************************************************************************** !************************************************* !*** Fluoroethynes + H: Addition/stabilization *** !************************************************* C2HF +H (+M)= CH2:CF (+M) 2.80E12 0.00 2410. !96BUR/ZAC 76PAY/STI (C2H2) LOW/1.33E27 -3.5 2410./ H2/2./ CO/2./ CO2/3./ H2O/5./ C2HF +H (+M)= CHF:CH[Z](+M) 1.40E12 0.00 2410. !96BUR/ZAC 76PAY/STI (C2H2) LOW/0.67E27 -3.5 2410./ H2/2./ CO/2./ CO2/3./ H2O/5./ C2F2 +H (+M)= CHF:CF[Z](+M) 2.80E12 0.00 2410. !96BUR/ZAC 76PAY/STI (C2H2) LOW/1.33E27 -3.5 2410./ H2/2./ CO/2./ CO2/3./ H2O/5./ !********************************************* !*** FLUORO-ACETYLENE DESTRUCTION PATHWAYS *** !********************************************* !********************************************* C2HF + O = CFCO + H 1.00E07 2.00 1900. !96BUR/ZAC 89MIL/BOW (C2H2) C2F2 + O = CFCO + F 1.00E07 2.00 1900. !96BUR/ZAC 89MIL/BOW (C2H2) !********************************************* C2HF + OH = CHFCO + H 2.18E-4 4.50 -1000. !96BUR/ZAC 89MIL/BOW (C2H2) C2HF + OH = CH2F + CO 2.50E-4 4.00 -2000. !96BUR/ZAC 89MIL/BOW (C2H2) C2HF + OH = HCCO + HF 2.50E-4 4.00 -2000. !96BUR/ZAC 89MIL/BOW (C2H2) C2F2 + OH = CF2CO + H 2.18E-4 4.50 -1000. !96BUR/ZAC 89MIL/BOW (C2H2) C2F2 + OH = CFCO + HF 2.50E-4 4.00 -2000. !96BUR/ZAC 89MIL/BOW (C2H2) !************************************ !*** Fluoromethylenes (CHF, CF2): *** !************************************ !*************************** !*** Radical combination *** !*************************** CH2F + CH2 = CH2:CHF + H 4.00E13 0.00 0. !96BUR/ZAC 84WAR (CH3) CH2F + CH2 = C2H4 + F 4.00E13 0.00 0. !96BUR/ZAC 84WAR (CH3) CHF2 + CH2 = CH2:CF2 + H 4.00E13 0.00 0. !96BUR/ZAC 84WAR (CH3) CHF2 + CH2 = CH2:CHF + F 4.00E13 0.00 0. !96BUR/ZAC 84WAR (CH3) CF3 + CH2 = CH2:CF2 + F 4.00E13 0.00 0. !96BUR/ZAC 84WAR (CH3) !*************************************** !*** Insertion into bonds of methyls *** !*************************************** CH2F + CH2(S) = CH2:CHF + H 4.00E12 0.00 0. !96BUR/ZAC (CH2) CH2F + CH2(S) = C2H4 + F 2.00E12 0.00 0. !96BUR/ZAC (CH2) CHF2 + CH2(S) = CH2:CF2 + H 2.00E12 0.00 0. !96BUR/ZAC (CH2) CHF2 + CH2(S) = CH2:CHF + F 4.00E12 0.00 0. !96BUR/ZAC (CH2) CF3 + CH2(S) = CH2:CF2 + F 6.00E12 0.00 0. !96BUR/ZAC (CH2) !*************************************** CH3 + CHF = CH2:CHF + H 6.00E12 0.00 0. !96BUR/ZAC (CH2SING) CH2F + CHF = CHF:CHF[Z]+ H 4.00E12 0.00 0. !96BUR/ZAC (CH2SING) CH2F + CHF = CH2:CHF + F 2.00E12 0.00 0. !96BUR/ZAC (CH2SING) CHF2 + CHF = CHF:CF2 + H 2.00E12 0.00 0. !96BUR/ZAC (CH2SING) CHF2 + CHF = CHF:CHF[Z]+ F 4.00E12 0.00 0. !96BUR/ZAC (CH2SING) CF3 + CHF = CHF:CF2 + F 6.00E12 0.00 0. !96BUR/ZAC (CH2SING) !*************************************** CH3 + CF2 = CH2:CF2 + H 6.00E12 0.00 3500. !96BUR/ZAC (CH2SING) CH2F + CF2 = CH2:CF2 + F 2.00E12 0.00 3500. !96BUR/ZAC (CH2SING) CHF2 + CF2 = CF2:CF2 + H 2.00E12 0.00 3500. !96BUR/ZAC (CH2SING) CHF2 + CF2 = CHF:CF2 + F 4.00E12 0.00 3500. !96BUR/ZAC (CH2SING) !****************************** !*** FLUOROKETENE CHEMISTRY *** !****************************** CHFCO + H = CH2F + CO 1.13E13 0.00 3428. !96BUR/ZAC 89MIL/BOW (CH2CO) CHFCO + H = CFCO + H2 5.00E13 0.00 8000. !96BUR/ZAC 89MIL/BOW (CH2CO) !****************************** CHFCO + O = CHF:O + CO 1.00E13 0.00 8000. !96BUR/ZAC (upper-limit) CF2CO + O = CF2:O + CO 1.00E13 0.00 8000. !96BUR/ZAC (upper-limit) CHFCO + OH = CFCO + H2O 7.50E12 0.00 2000. !96BUR/ZAC 89MIL/BOW (CH2CO) !****************************** CFCO + H = CHF + CO 1.00E14 0.00 0. !96BUR/ZAC 89MIL/BOW (CH2CO) CFCO + O = CF:O + CO 1.00E14 0.00 0. !96BUR/ZAC 89MIL/BOW (CH2CO) HCCO + F = CHF + CO 3.00E13 0.00 0. !96BUR/ZAC (H) CFCO + F = CF2 + CO 3.00E13 0.00 0. !96BUR/ZAC (H) !**************************************** !*** Fluoromethanes: Reactions with F *** !**************************************** CH4 + F = CH3 + HF 5.90E12 0.50 450. !96BUR/ZAC 71WAG/WAR (FIT) CH3F + F = CH2F + HF 1.35E14 0.00 1200. !96BUR/ZAC 83MAN/SET (FIT) !CH3F + F = CH2F + HF 5.58E13 0.00 1000. !Wang etal,J.ChemTheoryComput.,2005,1,No2,201-207 CH2F2 + F = CHF2 + HF 9.00E13 0.00 1850. !96BUR/ZAC 85CLY/HOD (FIT) CHF3 + F = CF3 + HF 4.50E13 0.00 3700. !96BUR/ZAC 85CLY/HOD (FIT) !CHF3 + F = CF3 + HF 1.26e13 0.00 2920. !1998LOU/SAW1437-1445,exp,298-398K !*************************************** !*** CHF:O & CF2:O: Reactions with F *** !*************************************** CH3OH + F = CH3O + HF 2.62E09 1.44 -205. !91GLA/KOS (EXPT) CH3OH + F = CH2OH + HF 4.62E07 1.97 -300. !91GLA/KOS (EXPT) !*************************************** CH2O + F = HCO + HF 6.00E13 0.00 2000. !96BUR/ZAC 80LEB/FOO (FIT) CHF:O + F = CF:O + HF 2.65E13 0.00 1800. !90FRA/ZHA (EXPT) !*************************************** CH3O + F = CH2O + HF 3.00E13 0.00 0. !96BUR/ZAC (upper-limit) HCO + F = CO + HF 1.00E13 0.00 0. !96BUR/ZAC (upper-limit) !************************************************* !*** Abstraction from fluoroethanes: By F-atom *** !************************************************* C2H6 + F = C2H5 + HF 8.00E12 0.00 300. !60FET/KNO (EXPT) CH3-CH2F + F = CH2F-CH2 + HF 9.00E13 0.00 800. !96BUR/ZAC (C2H6) CH3-CHF2 + F = CHF2-CH2 + HF 1.00E14 0.00 800. !96BUR/ZAC (C2H6) CH3-CF3 + F = CF3-CH2 + HF 1.00E14 0.00 4000. !96BUR/ZAC (C2H6) !************************************************* CH3-CH2F + F = CH3-CHF + HF 6.00E13 0.00 200. !96BUR/ZAC (C2H6) CH2F-CH2F + F = CH2F-CHF + HF 1.30E14 0.00 800. !96BUR/ZAC (C2H6) CH2F-CHF2 + F = CHF2-CHF + HF 1.30E14 0.00 800. !96BUR/ZAC (C2H6) CH2F-CF3 + F = CF3-CHF + HF 6.00E13 0.00 1200. !96BUR/ZAC (C2H6) !************************************************* CH3-CHF2 + F = CH3-CF2 + HF 3.00E13 0.00 800. !96BUR/ZAC (C2H6) CH2F-CHF2 + F = CH2F-CF2 + HF 3.00E13 0.00 1200. !96BUR/ZAC (C2H6) CHF2-CHF2 + F = CHF2-CF2 + HF 6.00E13 0.00 1200. !96BUR/ZAC (C2H6) CHF2-CF3 + F = CF3-CF2 + HF 4.00E13 0.00 1400. !96BUR/ZAC (C2H6) !************************************************* C2H4 + F = C2H3 + HF 1.00E14 0.00 2000. !96BUR/ZAC (CH4) CF2:CF2 + F = CF3 + CF2 3.00E13 0.00 0. !80BUT/LAR (EXPT) !*********************************************** !*** Fluorovinyl + F: Addition/decomposition *** !*********************************************** C2H3 + F = C2H2 + HF 2.00E13 0.00 0. !96BUR/ZAC (upper-limit) CHF:CF[Z] + F = CHF + CF2 1.00E13 0.00 0. !96BUR/ZAC (upper-limit) CF2:CF + F = CF2 + CF2 2.00E13 0.00 0. !96BUR/ZAC (upper-limit) !****** delete => addition of C3F7H and C2F5COC3F7 reactions ***** !**************** R Hynes' data for FM-200 ********************************** ! ! **** new reactions 14-6-97 R Hynes **** ! start new rxns: !CF3CO = CF3 + CO 2.2e13 0.00 10000.00 CF3CO (+M) = CF3 + CO (+M) 2.65e14 0.00 12000.00 !Tomas et al, Zeit.Phys.Chem,214,10,1349,2000 LOW /2.05E16 0.0 9200.0 / TROE/ 1.0 100.0 520.0 / !*** !***** CF3CHO + H = CF3CO + H2 4.00e13 0.00 4200.00 CF3CHO + OH = CF3CO + H2O 6.62e11 0.00 0.0 CF3CHO + O = CF3CO + OH 1e12 0.0 0.0 CF3CHO + CH3 = CF3CO + CH4 1e11 0.00 7400.0 CF3CHO + CF3 = CHF3 + CF3CO 1e12 0.00 8400.0 CF3CHO (+M) = CF2CO + HF (+M) 1e13 0.00 30000.0 LOW /8.75E17 0.0 30000.0 / H2O/9.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ CH3F /6.00/ CH2F2 /6.00/ CHF3 /6.00/ HF /2.00/ CF3CHO + F = CF3CO + HF 4e13 0.00 1000.0 CF3CHO (+M) = CF3 + HCO (+M) 4e16 0.00 80000.00 LOW /3.50E21 0.0 80000.0 / H2O/9.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ CH3F /6.00/ CH2F2 /6.00/ CHF3 /6.00/ HF /2.00/ CF3COF+ H = CF3CO + HF 2e13 0.00 3000.00 CF3COF(+M) =CF3+CF:O(+M) 4.3E+16 0.00 90000.00 LOW /3.76E21 0.0 90000.0/ H2O/9.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ CH3F /6.00/ CH2F2 /6.00/ CHF3 /6.00/ HF /2.00/ ! Novec update, October 4, 2011, addition of reactions for consumption of c2f6,cf3cfo !CF2:CF2 + F = CF3 + CF2 3.e13 0.0 0.0 !kin db/duplicate CF3COF + CF3 = CF3CO + CF4 2.e12 0.0 9000. !est CF3COF + CF3-CF2 = CF3CO + CF3-CF3 3.e11 0.0 14000. !est CF3-CF3 + CF3 = CF4 + CF3-CF2 3.e12 0.0 11300. !est CF3CO + F = CF3 + CF:O 3.e12 0.0 0.0 !est CF3CO + F = CF4 + CO 5.e12 0.0 0.0 !est ! additional reactions, vb, 08/12 CF3 (+ M) = CF2 + F (+ M) 1.0e15 0.0 82370. !ar=>n2;1800-2200K;Cobos etal.J.PhysChem,A,2010,114,4755-4761 LOW / 5.0e15 0.0 59660. / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/0.70/ CH3F /6.00/ CH2F2 /6.00/ CHF3 /6.00/ HF /2.00/ CF3-CF2 = CF2 + CF3 4.27e15 0.0 56240. !1991AIN720-725 CF4 + CH3 = CH3F + CF3 9.64e04 2.41 26130. !1998BER/MAR179-184 CF3-CF2 + F = CF3 + CF3 3.16e13 0.0 0. !Hynes etal,J.PhysChem,1999,103,5967-5977 CF3O + CO = CO2 + CF3 3.13e10 0.0 0. !Hynes etal,J.PhysChem,1999,103,5967-5977 CF:O + CF2 = CF3 + CO 5.4e11 0.0 0. !x3/Voloshin etal,IEEE TransPlasmaSci,2007,35:1691 CF + CF = C2F2 5.0e13 0.0 0. !Hynes etal,J.PhysChem,1999,103,5967-5977 CF2:CF2 + F = CF3-CF2 3.15e13 0.0 7770. !x0.5/Hynes etal,J.PhysChem,1999,103,5967-5977 !CF3-CF2 + CF = C3F6 6.0e11 0.0 0. !Voloshin etal,IEEE TransPlasmaSci,2007,35:1691 ! *** F2 reactions *** F + F + M = F2 + M 1.0e14 0.0 0. !1971LLO39 F2 + H = F + HF 2.9e9 1.4 1330. !1983COH/WES531 F2 + CF3 = CF4 + F 2.65e12 0.0 2500. !1986TEI/VED1119 CH3 + F2 = CH3F + F 4.e12 0.0 1100. !1981SEE/ROT39-58 CF2 + F2 = CF3 + F 1.2e12 0.0 3000. !est CF:O + F2 = CF2:O + F 1.e12 0.0 0. !est H2 + F2 = HF + F + H 3.44e12 0.0 19790. !1975BOK/CHA791-793 F2 + CO = CF:O + F 4.7e11 0.0 13500. !1962HER/ARV120 C + F2 = CF + F 1.7e12 0.0 1500. !1967MAY/SCH837-844 CF + F2 = CF2 + F 2.4e12 0.0 0. !1992PEE/VAN1257-1263, overall rate C2H4 + F2 = CH2F-CH2 + F 4.8e10 0.0 4590. !1967KAP/CHA421-427 CH4 + F2 = CH3 + HF + F 2.e12 0.0 11230. !1981SEE/ROT39-58 OH + F2 = HF + F + O 7.e13 0.0 9000. !Nosova et al, Comb.Flame,8,163,1964 ! CF3Br - bromine-species -reactions !H+HBR=H2+BR 1.26E10 1.05 160. !91SEA/PIL2 !H+HBR=H2+BR 5.01E12 1.05 163. ! update from NIST H+BR2=HBR+BR 2.28E11 1. 440. !81BAU/DUX BR+BR+M=BR2+M 1.92E14 0. -1700. !81BAU/DUX(M=N2) BR2/14./ CF3BR/3./ CH4/1.5/ CO2/2.3/ CO/1.15/ O2/1.15/ H2O/5.4/ H+BR+M=HBR+M 4.78E21 -1.963 510.5 !fit 81BAU/DUX(M=Ar) H+CH3BR=HBR+CH3 5.11E13 0. 5840. !81BAU/DUX BR2+CH3=BR+CH3BR 1.21E13 0. -390. !90TIM/SEE !H+C2H3BR=HBR+C2H3 1.00E14 0. 6000. C2H3BR+H=C2H3+HBR 3.0E+14 0.00 11950. !DB,hrxn=-31.6 ref=est class=c-br+h BR2+C2H3=BR+C2H3BR 2.4E13 0. -572. !93TIM/see, 03/2012 H+C2H5BR=HBR+C2H5 1.00E14 0. 5000. BR2+C2H5=BR+C2H5BR 1.57E13 0. -820. !90TIM/SEE HBR+CH3=BR+CH4 1.39E12 0. -143. !2002SEE455 03/2012 HBR+C2H5=BR+C2H6 4.4E08 1.49 -2810. !2004SHE/LI423 03/2012 HBR+CH2OH=BR+CH3OH 1.2E12 0. -785. !98JOD/RAY9230 03/2012 H+CF3BR=CF3+HBR 2.0E07 2.01 3280. !truet/marshall et al, 1998, 27-Symp.Comb., p2741, 03/2012 BR2+CF3=BR+CF3BR 1.21E12 0. 240. !88TIM CH3+CF3BR=CH3BR+CF3 2.77E05 2.05 7930. !1998Berry/Marshall,IntJ.ChemKin, 03/2012 CF3BR=CF3+BR 2.E13 0. 62800. !86TSA CF3+HBR=CHF3+BR 2.63E11 0. 2560. !83WEE/WHI BR+HO2=HBR+O2 8.69E09 1.0 468.0 !2012 Dixon-Lewis, HBR+OH=BR+H2O 4.0E12 0. -310. !2007ATK/BAU; 03/2012 HBR+O=BR+OH 3.97E12 0. 3060. !89ATK/BAU HBR+HO2=BR+H2O2 4.2E02 2.93 7677. !2012,Dixon-Lewis etal, 03/2012 BR+CH2O=HBR+HCO 1.02E13 0. 1600. !92ATK/BAU CH3+BR=CH2+HBR 1.10E14 0. 22968. !90GOL/TEM CH3BR=CH3+BR 1.58E13 0. 71700. !88TAK/MOR(!?) O+BR2=BRO+BR 1.06E13 0. -80. !1990NIC/WIN379-397; 03/2012 O+CF3BR=BRO+CF3 9.00E12 0. 13510. !88HER CH3BR+O=CH3+BRO 1.00E13 0. 13500. !WEST BRO+HO2=BROH+O2 3.7E12 0. -990. !1994DEM/SAN, 2012Dixon-Lewis, 03/2012 BRO+O=BR+O2 1.14E13 0. -460. !2007ATK/2012Dixon-Lewis, 03/2012 BRO+OH=BR+HO2 1.08E13 0. -500. !2007ATK/ 2012Dixon-Lewis BRO+BRO=BR+BR+O2 1.60E12 0. 0. !2007ATK/2012Dixon-Lewis, 023/2012 BRO+BRO=BR2+O2 1.51E10 0. -1670. !2007ATK/2012Dixon-Lewis, 03/2012 BRO+CO=CO2+BR 6.00E11 0. 7400. CH4+BRO=CH3+BROH 7.83E03 2.71 11000. !2001LOU/ALL4284-4289 03/2012 CH2O+BRO=HCO+BROH 3.20E13 0. 11100. !*approximation Tn C2H4+BRO=CH2BR+CH2O 5.00E12 0. 3000. !02/08/95 H+BRO=OH+BR 3.00E13 0. 0. !2012Dixon-Lewis H+BRO=HBR+O 1.00E12 0. 0. !*** ! ! *** BROH kinetics *** CH3BR+OH=CH3+BROH 1.00E13 0. 13500. !WEST OH+BR2=BROH+BR 1.11E15 -0.66 0. !2006BRY/2012Dixon-Lewis; 03/2012 H+BROH=BRO+H2 2.0E7 1.91 8020. !2012Dixon-Lewis H+BROH=HBR+OH 3.0E13 0. 0.0 !2012Dixon-Lewis H+BROH=BR+H2O 3.0E13 0. 0.0 !2012Dixon-Lewis HBR+BRO=BR+BROH 1.6E12 0. 3600.0 !99Hansen etal from 2012Dixon-Lewis,+correction 03/2012 O+BROH=OH+BRO 7.2E13 0. 854. !2012Dixon-Lewis, 03/2012 OH+BROH=H2O+BRO 1.90E02 3.12 -1250. !2012Dixon-Lewis, 03/2012 BROH(+M)=OH+BR(+M) 1.0E15 0.0 48733. !2012Dixon-Lewis, 03/2012 LOW/1.30E22 -1.52 51140./ HO2+BROH=BRO+H2O2 1.0E00 3.55 13100. !2012Dixon-Lewis, 03/2012 ! ! ***CH2BR formation *** OH+CH3BR=H2O+CH2BR 7.60E7 1.3 500. !91COH/WES O+CH3BR=CH2BR+OH 1.70E05 2.33 4210. !Zhang et al, Chem.Phys.Let,2002,352,521; 03/2012 CH3+CH3BR=CH4+CH2BR 1.26E12 0. 10100. !*70KON CH3BR+HO2=CH2BR+H2O2 1.00E13 0. 16700. CH3BR+BRO=CH2BR+BROH 3.00E11 0. 10700. BR+CH2BR=BR2+CH2 5.00E09 0. 10200. !*70KON ! ! ***CH2BR consumption *** CH2BR+CH2O=CH3BR+HCO 3.60E11 0. 6200. CH2BR+C2H6=CH3BR+C2H5 1.00E12 0. 8500. CH2BR+C2H4=C2H3+CH3BR 2.00E12 0. 12000. CH2BR+HO2=CH2O+OH+BR 1.00E13 0. 0. !!! CH2BR+CH3=C2H5BR 3.10E11 0. -4300. !*approximation Tn CH2BR+CH3=C2H4+HBR 5.40E12 0. 1400. !*approximation Tn CH2BR+CH3=C2H5+BR 1.00E13 0. 7000. !*approximation Tn CH2BR+H2=CH3BR+H 2.00E12 0. 13100. CH2BR+HBR=CH3BR+BR 3.5E12 0.0 1750. !2006ZHA/LIU12, 03/2012 ! *** *** *** F+HBR=HF+BR 2.71E13 0. 165. !2004KOR/PER140-145 03/2012 BR+CH3CHO=HBR+CH3CO 7.83E12 0. 715. !92ATC/BAU BR+CHF2-CF3=HBR+CF3-CF2 1.10E13 0. 19300. !68AMP/WHI BR+HCO=HBR+CO 1.70E14 0. 0. !84POU/LAV BR+CH2F2=HBR+CHF2 2.38E13 0. 16580. !68AMP/WHI BR+CH3F=HBR+CH2F 5.45E13 0. 16100. !68AMP/WHI H2+BR2=HBR+HBR 6.50E14 0. 40540. !58LEV ! BR+O+M = BRO+M 3.00E13 0. 0. !# CH2+HBR=CH2BR+H 1.00E13 0. 11000. !#(296K - 90GOL/TEM) C2H5+BR=C2H5BR 2.00E13 0. 0. !# C2H5+BR=C2H4+HBR 7.11E12 0. 0. !1997DOB/BEN6030-6042 n 03/2012 C2H3+BR=C2H3BR 9.00E13 0. 0. ! Rate from NIST x3 ! ! C2H3BR+M=C2H2+HBR+M 8.2E18 0. 59750. !2001LAW/HAY-BRA, 03/2012 C2H5BR=C2H4+HBR 2.70E13 0. 53000. !#, Cl CH2BR+O=CH2O+BR 7.00E12 0. 0. !# CH2BR+OH=CH2O+HBR 2.00E10 0. 10000. !# CH2BR+HO2=CH3BR+O2 2.00E12 0. 0. !# CH2BR+CHF3=CH3BR+CF3 5.00E11 0. 12000. !# CH3O+BR=CH2O+HBR 3.00E13 0. 0. !Szilagyi et al, React.KinetCatalLet,77(2),p.341, 03/2012 BR+C2H4=C2H3+HBR 5.00E12 0. 25000. !# I OH+CF3BR=CF3+BROH 1.00E13 0. 18000. !# C2H3BR+OH=C2H3+BROH 3.00E12 0. 26000. !77PER/ATK5? C2H3BR+OH=CH3CHO+BR 3.0E+13 0.0 1500.0 !DB, hrxn=-157.9 ref=est class=c.c-o/c.c-br C2H3BR+O=CH3CO+BR 1.0E+13 0.0 2390. !DB,hrxn=-217.4 ref=est class=c.c-o/c.c-br C2H5BR+OH=C2H5+BROH 2.00E13 0. 15000. !# C2H5BR+CH3=C2H5+CH3BR 1.00E13 0. 6000. !# C2H3BR+CH3=C2H3+CH3BR 1.00E13 0. 11000. !# C2H5BR+CF3=C2H5+CF3BR 1.00E12 0. 8000. !# C2H3BR+CF3=C2H3+CF3BR 2.00E12 0. 10000. !# C2H5BR+O=C2H5+BRO 2.00E13 0. 14000. ! 6500. !# HCO+BRO=CO+BROH 5.00E12 0. 0. !# CH3+BRO=CH2O+HBR 1.00E13 0. 0. !# CH3O+BRO=CH2O+BROH 1.00E13 0. 0. !# CH3O+HBR=CH3OH+BR 4.85E05 1.9 2590. !98JOD/RAY9230 n 03/2012 BR+CH2=CH+HBR 1.1E14 0.0 23000. !2005YU/KEN3020-3028 n 03/2012 F+CH3BR=HF+CH2BR 6.E13 0.0 830. !2005,J.Chem.TheoryComput,2005,1,p.201, Wang et al, 03/2012 n CF3BR+CF3=CF3-CF3+BR 2.e12 0.0 8000. !est ! F,CF3,C2F5,Br-propane reactions C3H8 + F = NC3H7 + HF 3.5e13 0.0 0. !1960FET/KNO1064 C3H8 + F = IC3H7 + HF 4.1e13 0.0 0. !1960FET/KNO1064 C3H8 + CF3 = NC3H7 + CHF3 5.4e11 0.0 8540. !1973ARI/POT1811 C3H8 + CF3 = IC3H7 + CHF3 1.8e11 0.0 6520. !1973ARI/POT1811 C3H8 + CF3-CF2 = NC3H7 + CHF2-CF3 3.9e11 0.0 7800. !1972WHY/CLA689 C3H8 + CF3-CF2 = IC3H7 + CHF2-CF3 3.3e11 0.0 6100. !1972WHY/CLA689 C3H8 + BR = NC3H7 + HBR 7.0e13 0.0 11000. !est C3H8 + BR = IC3H7 + HBR 5.3e13 0.0 8600. !1992SEA/PIL9847-9855 !F,CF3,Br-ethanol reactions C2H5OH + F = PC2H4OH + HF 3.8e13 0.0 0. !1989KHA/EDE626-632 C2H5OH + F = SC2H4OH + HF 1.5e13 0.0 0. !1989KHA/EDE626-632 C2H5OH + F = C2H5O + HF 2.3e13 0.0 0. !1989KHA/EDE626-632 C2H5OH + CF3 = SC2H4OH + CHF3 4.e11 0.0 9700. !est C2H5OH + BR = SC2H4OH + HBR 5.e13 0.0 14000. !est !************************************************************************************** !*** Mechanism for CHxCl4-x laminar flame speeds, princeton *** !************************************************************************************** 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 + C2H4 = C2H3 + HCL 3.730E+13 0.000 6757. ! Pilgrim Taatjes J. Phys Chem A 101 4172 1997 CL + C2H4 = C2H3 + HCL 3.01E11 0 0 !Dobis Benson J. Am. Chem. Soc. 1990, 112, 1023-1029 CL + C2H2 = C2H + HCL 1.580E+14 0.000 30200. ! h,i !CL + HCO = CO + HCL 1.000E+13 0.000 0. ! Est'd CL + HCO = CO + HCL 1.70E+14 0.000 0. !Br,vb 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(S) + 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(S) = C2H4 + HCL 1.600E+18 -1.470 2710. ! e CH3CL + CH2(S) = 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(S) + 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 C2HCL5 = CHCL2 + CCL3 3.98e17 0.0 76710. ! Benson !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 !C2H4 + CL = CH2CH2CL 3.100E+13 1.310 -1029. !knyazev j phys chem a 103 3216 1999 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 = C2H3 + CL 3.98E15 0 91600 ! Manion Rec. Trav. Chim. Pays/Bas 1986 !C2H3CL = C2H3 + CL 8E15 0 91600 ! Est. Manion x2 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 !*********************** !*** R-123 reactions *** !*********************** CF3CCL2H = CF3 + CHCL2 2.0e16 0.0 89000. !est CF3CCL2H = C2F3CL + HCL 2.0e14 0.0 70000. !est C2F3CL + H = CF2:CF + HCL 4.e5 2.5 9000. !est,c2f3h C2F3CL + O = CF2 + CFCLO 5.0e9 1.0 500. !est,c2f4 C2F3CL + F = CF2:CF2 + CL 5.5e12 0.0 4500. !c2f3h-displacement/est C2F3CL + F = CF2CL + CF2 2.e13 0.0 10000. !c2f4/est C2F3CL = CFCL + CF2 2.e16 0.0 84000. !est CFCL + CL = CFCL2 1.6e13 0.0 0. !ccl2+cl CFCL + H = CF + HCL 2.e13 0.0 0. !cf2+H/ CFCL + O2 = CFCLO + O 2.e13 0.0 26500. !cf2 CFCL + OH = CF:O + HCL 2.5e13 0.0 0. !ccl2/est CFCL + O = CF:O + CL 3.e13 0.0 0. !cf2 CF + CL = CFCL 2.e13 0.0 0. !cf2 CF3CCL2 + HCO = CF3CCL2H + CO 2.e12 0.0 1500. !est CF3CCL2H + H = CF3CCL2 + H2 7.e12 0.0 6000. !est/mod CF3CCL2H + OH = CF3CCL2 + H2O 4.4e06 1.7 740. !1991COH/WES1211-1311 CF3CCL2H + O = CF3CCL2 + OH 5.e12 0.0 7000. !est CF3CCL2H + F = CF3CCL2 + HF 4.93e08 1.35 240. !Wang etal,Theochem,959(2010)101 CF3CCL2H + CL = CF3CCL2 + HCL 2.65e12 0.0 3480. !2001ATK/BAU1-56 t3 CF3CCL2H + CF3 = CF3CCL2 + CHF3 1.26e11 0.0 8150. !cf2clchfcl-data;1972QUI/WHI878 CF3CCL2 = CF3 + CCL2 3.e15 0.0 79000. !estimate,E=deltaH CF3CCL2 + CH4 = CF3CCL2H + CH3 3.e11 0.0 15000. !est CF3CCL2 + CH2O = CF3CCL2H + HCO 2.e11 0.0 9000. !est CF3CCL2 + C2H6 = CF3CCL2H + C2H5 3.e11 0.0 12000. !est CF3 + CCL3 = CF3CCL3 1.4e13 0.0 0. !cf3+cf3 CF3CCL2 + CL = CF3CCL3 1.e13 0.0 0. !est/anal CF3CCL2 + CL2 = CF3CCL3 + CL 1.26e12 0.0 5820. !1973CUL/POG415 CF3CCL3 + H = CF3CCL2 + HCL 3.e12 0.0 4000. !est CF3CCL3 + O = CF3CCL2 + CLO 2.e12 0.0 12000. !est CF3CCL3 + OH = CF3CCL2 + HOCL 2.e12 0.0 23000. !est CF3CCL3 + CH3 = CF3CCL2 + CH3CL 7.94e11 0.0 9700. !1984SID/TRE579-590 CF3CCL3 + CF3 = CF3CCL2 + CF3CL 6.31e12 0.0 12700. !1972QUI/WHI878 CF3CCL2 + O = COCL2 + CF3 1.1e13 0.0 0. !similar to f-species,nist cfc model CF3CCL2 + H = CF3CCL2H 1.12e47 -10.8 4100. !similar to f-species,nist cfc model CF3CCL2 + H = CF3 + CHCL2 4.4e16 -0.746 4360. !similar to f-species,nist cfc model CCL4 + CF3 = CF3CL + CCL3 1.44e12 0.0 7970. !2002OLL/LAN3341-3349 !CF3 + CL2 = CF3CL + CL 2.69e12 0.0 3580. !1988TIM5-45 CF3CL + CL = CF3 + CL2 1.9e14 0.0 31400. !1967AMP/WHI2695 !CF3CL + H = CF3 + HCL 1.7e13 0.0 8800. !1976BRA/WHY2284 CF3CL + H = CF3 + HCL 3.4e12 0.0 8800. !1976BRA/WHY2284 *~0.2 !rev/CF3CL + CH3 = CF3 + CH3CL 5.06e04 2.34 9940. !1998BER/MAR179-184 CF3CL (+M) = CF3 + CL (+M) 7.24e19 -1.10 92090.0 !1996KUM/SUT7541-7549 LOW /7.81e24 -10.83 101000./ CF3CL + F = CF4 + CL 1.5e12 0.0 17000. !est(?)/f+nco(~7kcal)/cf3cn+f/26kcal CHCL3 + CF3 = CF3CL + CHCL2 1.82e11 0.0 10680. !2002OLL/LAN3341-3349 CH3CCL3 + CF3 = CF3CL + CH3CCL2 3.16e11 0.0 9700. !1972QUI/WHI878 CF2CL2 + CF3 = CF3CL + CF2CL 2.34e11 0.0 13440. !2002OLL/LAN3341-3349 CF2CL2 + CH3 = CH3CL + CF2CL 1.26e12 0.0 11310. !1984SID/TRE579-590 CF2CL2 +M = CL + CF2CL +M 8.07e16 0.0 63000. !1995KUM/LIM8673-8680 CF2CL2 + OH = HOCL + CF2CL 6.03e11 0.0 7150. !1997DEM/SAN1-266 CF2CL2 + F = CF3CL + CL 1.58e13 0.0 16690. !1972foo/TAI121,=CLF+cf2cl CF2CL2 + H = CF2CL + HCL 5.e12 0.0 9500. !est CF2 + CL2 = CF2CL2 3.21e8 0.0 2110. !1986MEL/MOI17 CF2CL + CL2 = CF2CL2 + CL 7.76e11 0.0 1910. !1986TIM/RUS1193-1204 CF2CL + CF2CL = CF2CL2 + CF2 2.06e16 0.0 9440. !1969MAJ/OLA2988 CL + CF2 + M = CF2CL + M 3.6e17 0.0 0. !Codnia etal,Photochem-Photobiol,2006,82755-762 !CL + CF2 + M = CF2CL + M 2.5e17 0.0 0. !Codnia etal,Photochem-Photobiol,2006,82755-762;# F + CCL2 + M = CFCL2 + M 1.5e17 0. 0. !est, similar CHFCL2 + O = CFCL2 + OH 1.0e13 0.0 7350. !1988HER967 CHFCL2 + CL = CFCL2 + HCL 3.1e12 0.0 3340. !1996TAL/LOU2107-2113 CHFCL2 + F = CFCL2 + HF 1.57E13 0.0 1690. !1998LOU/SAW1437-1445 CHFCL2 + H = CFCL2 + H2 5.66e06 2.03 6650. !1998LOU/SAW1437-1445 CHFCL2 + OH = CFCL2 + H2O 9.08e06 1.7 1210. !1991COH/WES1211-1311 !CFCL + HCL = CHFCL2 6.3e12 0.0 8800. !1972KUS/BEL758-764 CFCL3 + H = CCL3 + HF 4.e12 0.0 10000. !est,# CFCL3 + H = CFCL2 + HCL 3.e13 0.0 5000. !est,# CFCL3 + OH = CFCL2 + HOCL 6.0e11 0.0 7250. !2001ATK/BAU1-56;overall data CFCL3 + CF3 = CF3CL + CFCL2 8.51e11 0.0 10910. !2002OLL/LAN3341-3349 CFCL3 + CH3 = CH3CL + CFCL2 2.e11 0.0 10700. !1984SID/TRE579-590 CFCL3 = CFCL2 + CL 1.7e16 0.0 52460. !1996KUM/SU7533-7540 CFCL2 + CL2 = CFCL3 + CL 8.32e11 0.0 3340. !1986TIM/RUS1193-1204 !CFCL2 + CL2 = CFCL3 +CL 1.5e12 0.0 9000. !est,# !CFCL2 + CFCL2 = CFCL3 + CCLF !CF2 + HCL = CHF2CL 6.6e11 0.0 12100. !1984MEL/MOI849 !CF2CL + H = CHF2CL 5.e13 0.0 3990. !2005YU/KEN3020-3028 CF2CL + H = CHF2CL 2.5e13 0.0 3990. !x0.5;2005YU/KEN3020-3028 !rev/CF2CL + HCL = CHF2CL + CL 1.88e11 0.0 5160. !2005YU/KEN3020-3028 !rev/CF2CL + CHF3 = CHF2CL + CF3 8.0e11 0.0 13670. !1970LEY/MAJ898 CF2CL + F = CF3 + CL 7.2e13 0.0 0.0 !1978BUT/LAR647-652 CFCL2 + F = CF2CL + CL 2.e13 0.0 3000. !est,analog;# !CHF2CL + CL = CF2CL + HCL 3.19e12 0.0 4830. !1996TAL/LOU2107-2113 CHF2CL + O = CF2CL + OH 7.0e12 0.0 8350. !1988HER967 !CHF2CL + O = CF2CL + OH 1.4e13 0.0 8350. !x2;1988HER967;# CHF2CL + F = CF2CL + HF 1.45e13 0.0 2070. !1998LOU/SAW1437-1445 !CHF2CL + H = CHF2 + HCL 1.87e8 1.66 9150. !2004LOU/GON10586-10593 CHF2CL + H = CF2CL + H2 6.62e06 2.05 8980. !2004LOU/GON10586-10593 CHF2CL + OH = CF2CL + H2O 4.89e06 1.8 2340. !1991COH/WES1211-1311 CHF2CL + CF3 = CF2CL + CHF3 2.0e11 0.0 10770. !1970LEY/MAJ898 CHF2CL + CH3 = CF2CL + CH4 1.0e12 0.0 10000. !1976NIK/POL936 CH3CL + F = CH2CL + HF 4.97e13 0.0 840. !Wang etal,J.ChemTheoryComput.,2005,1,No2,201-207 CH2CL2 + F = CHCL2 + HF 4.4e12 0.0 160. !1969FOO/MCA3005 CHCL3 + F = CCL3 + HF 1.02e13 0.0 1090. !1998LOU/SAW1437-1445 CH3CL + CF3 = CH2CL + CHF3 2.63e11 0.0 9970. !2002OLL/LAN3341-3349 CH3CL + CF3 = CH3 + CF3CL 1.9e11 0.0 14490. !2002OLL/LAN3341-3349 CH2CL2 + CF3 = CHCL2 + CHF3 8.51e10 0.0 6550. !2002OLL/LAN3341-3349 CH2CL2 + CF3 = CH2CL + CF3CL 7.94e10 0.0 12840. !2002OLL/LAN3341-3349 CHCL3 + CF3 = CCL3 + CHF3 7.41e10 0.0 6650. !2002OLL/LAN3341-3349 CH3F + CL = CH2F + HCL 1.02e13 0.0 2310. !2001ATK/BAU1-56 CH2F2 + CL = CHF2 + HCL 9.03e12 0.0 3140. !2001ATK/BAU1-56 CHF3 + CL = CF3 + HCL 5.e12 0.0 10000. !est CH3F + CCL3 = CH2F + CHCL3 5.e11 0.0 14000. !est CH2F2 + CCL3 = CHF2 + CHCL3 5.e11 0.0 14500. !est !HF + CL = HCL + F 1.5e14 0.0 79290. !1979GAR/TRU5207 HCL + F = HF + CL 2.51e13 0.0 350. !1976WAG/WAR571 !HCL + F = H + FCL 2.1e14 0.0 44910. !1979GAR/TRU5207 ! species CF3CFCL2 !CF3CCL2 + F = CF3CFCL2 !CF3 + CFCL2 = CF3CFCL2 1.94e13 0.0 460. !1969MAJ/OLA2988 !CF3CFCL2 + H = CF3CFCL + HCL 2.1e14 0.0 11610. !cf2clcf2cl;1996MAN/TSA7060-7065 ! *** FCL *** HOCL + F = FCL + OH 7.2e12 0.0 0.0 !298K,1993VOG/SCH819-829 F + CL2 = FCL +CL 5.5e14 0.0 1400.0 !230-300k,1971WAR/WAG119 !CF3CL + F = CF3 + FCL 6.3e13 0.0 20870. !1972FOO/TAI1121 CF3CL + F = CF3 + FCL 3.15e13 0.0 20870. !A/(~2)1972FOO/TAI1121 CF2CL2 + F = CF2CL + FCL 1.58e13 0.0 16700. !1972FOO/TAI1121 CFCL3 + F = CFCL2 + FCL 2.88e12 0.0 12980. !1972FOO/TAI104 CCL4 + F = CCL3 + FCL 1.0E13 0.0 10190. !1972FOO/TAI1121 !FCL + F = F2CL 2.3e16 0.0 0. !300K,1980JUB1071 !FCL + H = HF + CL 5.6e11 0.0 3200. !1967MAY/SCH837-844 !FCL + H = HCL + F 1.1e12 0.0 1900. !1967MAY/SCH837-844 FCL + H = HF + CL 6.9e12 0.0 0. !1994BYK/FIL1637-1645 FCL + H = HCL + F 1.7e13 0.0 0. !1994BYK/FIL1637-1645 !FCL = F + CL 7.94e12 0.0 41530. !1971MCI/DIE1765 FCL + M = F + CL + M 3.0e14 0.0 57500. !Blauer,Solomon,Engleman,J.Phys.Chem.75,26,3939,1971 !CL2O + F = FCL + CLO 9.04e13 0.0 90. !1992SRE/AND1708-1718 !HOCL + F = FCL + OH 7.2e12 0.0 0.0 !1993VOG/SCH819-829 FCL + O = F + CLO 5.e11 0.0 9000. !est CF2CL + O = CF2 + CLO 1.8e13 0.0 0. !WU/CARR,J.PhysChem,1992,96,p.1743 CF2 + CLO = CL + CF2:O 4.e12 0.0 0. !WU/CARR,J.PhysChem,1992,96,p.1743 !CFCL2O = CFCLO + CL 3.8e13 0.0 11600. !WU/CARR,J.PhysChem,1992,96,p.1743 !CFCL2O = CFCLO + CL 1.e14 0.0 11000. !upper-lim;Leslaux,J.PhotochemPhotobiol,A,Chem,41,1987,1-11 !CF2CLO = CF2O + CL 3.4e12 0.0 11900. !WU/CARR,J.PhysChem,1992,96,p.1743 !CF2CLO + CO = CF2CL + CO2 1.1e12 !Carr etal,J.PhysChem,90,1986,607 CF:O + CL + M = CFCLO + M 1.e16 0.0 0. !est CCLO + F + M = CFCLO + M 1.e16 0.0 0. !est CF:O + CL2 = CFCLO + CL 3.e12 0.0 5000. !est CFCLO + H = CF:O + HCL 3.e12 0.0 9000. !est CFCLO + CF3 = CF:O + CF3CL 2.e12 0.0 11000. !est CFCLO + O = CF:O + CLO 3.e12 0.0 20000. !est CF:O + HOCL = OH + CFCLO 2.e12 0.0 7000. !est CCLO + CF:O = CFCLO + CO 3.e12 0.0 2000. !est CFCLO = CF:O + CL 3.e14 0.0 83000. !Francisco etal,J.Phys.Chem,1989,93,8118/est CFCL2 + O = CFCLO + CL 1.5e13 0.0 0. !est CFCL2 + OH = COCL2 + HF 7.0e12 0.0 0. !est CFCL2 +HCO = CO +CHFCL2 1.5e13 0.0 0. !est CFCL2 + H = CCL2 + HF 1.e13 0.0 4000. !est CF2CL + H = CF2 + HCL 2.e13 0.0 1000. !est CFCL2 + CH3 = CH3F + CCL2 3.e12 0.0 12000. !est CF2CL + CH3 = CH3CL + CF2 3.e12 0.0 5000. !est !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!addition MAthieu et al. !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! HBR + CL2 = HCL + BRCL 3E5 0 0 ! Goldfinger HCL + BR2 = HBR + BRCL 3E5 0 0 ! est. BRCL + O = BRO + CL 1.26E13 0 0 !Clyne IJCK 1976 BRCL + O = BR + CLO 1.26E13 0 0 !est. BRCL + CH3 = CH3CL + BR 0.91 0 2087 ! Evans IJCK 1978 BRCL + CH3 = CH3BR + CL 0.91 0 2087 ! Evans IJCK 1978 BRCL + OH = BR + HOCL 9.04E11 0 0 !Kukui Ber. Bunsen. Phys Chem 1996 BRCL + OH = BROH + CL 9.04E11 0 0 !Kukui Ber. Bunsen. Phys Chem 1996 BRCL + H = BR + HCL 8.590E+13 0.000 1170 !CL2 + H = HCL + CL BRCL + H = HBR + CL 8.590E+13 0.000 1170 !CL2 + H = HCL + CL CF2BR + CF2BR = CF2BR2 + CF2 2.06e16 0.0 5720. !est CF2BR + F = CF3 + BR 7.2e13 0.0 0.0 ! same as CF2CL CF2BR + H = CF2 + HBR 2.e13 0.0 605. ! est CF2BR + CH3 = CH3BR + CF2 3.e12 0.0 3030. ! est CF2BR + O = CF2 + BRO 1.8e13 0.0 0. ! same as CF2CL CHF2BR + CH3 = CF2BR + CH4 1.0e12 0.0 6060. ! est. CHF2BR + H = CF2BR + H2 6.62e06 2.05 5440. ! est CHF2BR + OH = CF2BR + H2O 4.89e06 1.8 1420. !est !CF2BR + H = CHF2BR 2.5e13 0.0 2420. ! CHF2BR not in Yu et al. !CHF2BR + F = CF2BR + HF 1.45e13 0.0 1250. ! est. !CHF2BR + H = CHF2 + HBR 1.87e8 1.66 5545. ! est. !CHF2BR + OH = CF2BR + H2O 4.89e06 1.8 1420. ! est !CHF2BR + CF3 = CF2BR + CHF3 2.0e11 0.0 6530. ! est !CHF2BR + O = CF2BR + OH 7.0e12 0.0 5060. ! est !CHF2BR + CL = CF2BR + HCL 3.19e12 0.0 4830. !est !CHF2BR + BR = CF2BR + HBR 3.19e12 0.0 4830. !est O + CF2BRCL = BRO + CF2CL 3.15E12 0 11000 ! est. OH + CF2BRCL = CF2CL + BROH 3.15E12 0 13000 ! est. CF3 + CF2BRCL = CF2CL + CF3BR 4.5E12 0 4000 ! est. ! !H + CF2BRCL = HCL + CF2BR 2E14 0.0 11000 ! O + CF2BRCL = CLO + CF2BR 3.5E12 0 13500 ! est. OH + CF2BRCL = CF2BR + HOCL 3.5E12 0 17000 ! est. !CH3 + CF2BRCL = CF2BR + CH3CL 1.05E12 0 16500 ! est. CF3 + CF2BRCL = CF2BR + CF3CL 5E12 0 11500 ! est. ! ! H + CF2BR2 = HBR + CF2BR 1.58E14 0.0 9320 ! OH + CF2BR2 = CF2BR + BROH 3.16E12 0 14000 ! est. CH3 + CF2BR2 = CF2BR + CH3BR 1.05E12 0 10000 ! est. CF3 + CF2BR2 = CF2BR + CF3BR 4.5E12 0 10500 ! est. ! C2F4 + O = CF2:O + CF2 3.93E11 1.48 0 ! Nguyen et al. JPhys. Chem.A 2005 rate C2F4 + O = products (4.62E11) w/0.85 for this reaction C2F4 + O = CF3 + CF:O 0.69E11 1.48 0 ! Nguyen et al. JPhys. Chem.A 2005 rate C2F4 + O = products (4.62E11) w/0.15 for this reaction C2F4 + H = CHF2 + CF2 1.73E12 0 -642 ! Orkin et al. JPhys. Chem.A 2005 10195 W/ split from C2F4 + O (0.85) C2F4 + H = CF3 + CHF 0.31E12 0 -642 ! Orkin et al. JPhys. Chem.A 2005 10195 W/ split from C2F4 + O (0.15) C2F4 + F = CF2 + CF3 2.89E13 0 0 !Butkovskaya et al. Kinet Catal.21 263 (1980) CCL4 + CH3 = CH3CL + CCL3 1.26E12 0 9900 ! Matheson et al. IJCK 14 1982 1033 CCL4 + C2H5 = C2H5CL + CCL3 2.51E12 0 10200 !Szirovicza et al. Acta Chim. Acad. Sci Hung 126 1989 117 CCL4 + C2H3 = C2H3CL + CCL3 7.5E12 0 5500 ! est. CCL4 + IC3H7 = IC3H7CL + CCL3 1E12 0 10200 ! Matheson et al. IJCK 14 1982 1033 IC3H7CL = C3H6 + HCL 7.810E+19 -2.000 60660. ! same as C2H5CL IC3H7CL = IC3H7 + CL 2.350E+43 -8.500 96980. ! same as C2H5CL IC3H7CL + H = IC3H7 + HCL 3.000E+14 0.000 7900. !based on C2H6/C3H8+O2 (x3) w/ C2H5CL as starting pointL IC3H7CL + OH = H2O + C3H6CL 1.530E+07 2.000 994. ! based on C2H6/C3H8+O2 (x3) w/ C2H5CL as starting point C2CL5 + CL = C2CL4 + CL2 2.45E13 0 0 !Huybrechts et al. IJCK 28 1996 27-36 C2CL5 + BR = C2CL4 + BRCL 2.45E13 0 0 ! Same as C2CL5 + CL !C2CL5 + CL2 = C2CL6 + CL 2.04E11 0 2365 ! Dusoleil et al. Tans. Faraday Soc. 57 1961 2197 C2CL6 + CL = C2CL5 + CL2 1.32E14 0 17300 ! Huybrechts et al. IJCK 28 1996 27-36 C2CL6 + CCL3 = CCL4 + C2CL5 8.13E11 0 14100 ! Huybrechts et al. IJCK 28 1996 27-36 C2CL6 = C2CL5 + CL 1E16 0 69200 ! Weissman and Benson IJCK 12 1980 403 C2CL6 = CCL3 + CCL3 6.31E17 0 68400 ! Benson and Weissman IJCK 14 1982 1287 C2CL6 = C2CL4 + CL2 5.01E13 0 54100 ! Weissman and Benson IJCK 12 1980 403 C2CL6 + CH3 = CH3CL + C2CL5 6.31E11 0 10100 ! Tomkinson and Pritchard J. Phys. Chem. 70 1966 1579 !CF2CL + CF2CL (+M) = C2F4CL2 (+M) 9.69e10 0.77 0.0 !Same as C2F6 ! LOW / 2.12e60 -12.51 5910. / ! TROE / 0.069 260. 880. / !H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/0.70/ C2F4CL2 + H = C2F4CL + HCL 1.00E15 0.00 30000. !same as C2F6 C2F4CL2 + CF3 = CF3CL + C2F4CL 3.e12 0.0 11300. !same as C2F6 C2F4CL + H = C2F4 + HCL 1.41E21 -2.40 3630. !96BUR/ZAC (RRKM) same as C2F5 C2F4CL + H = C2HF4CL 1.12E47 -10.80 4100. !96BUR/ZAC (RRKM) same as C2F5 C2F4CL + O2 = CF2CL + CF2:O+ O 1.30E13 0.00 23000. !96BUR/ZAC (CF3) same as C2F5 C2F4CL + H = CHF2 + CF2CL 4.37E16 -0.746 4360. !96BUR/ZAC (RRKM) same as C2F5 C2F4CL + H2O2 = C2HF4CL + HO2 9.00E09 0.00 1000. !96BUR/ZAC 86TSA/HAM (C2H6) same as C2F5 C2F4CL + O =CF2CL+CF:O + F 2.20E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) same as C2F5 C3H8 + C2F4CL = NC3H7 + C2HF4CL 3.9e11 0.0 7800. !1972WHY/CLA689 same as C2F5 C3H8 + C2F4CL = IC3H7 + C2HF4CL 3.3e11 0.0 6100. !1972WHY/CLA689 same as C2F5 C2F4CL = CF2 + CF2CL 4.27e15 0.0 56240. !1991AIN720-725 same as C2F5 C2F4CL + F = CF2CL + CF3 3.16e13 0.0 0. !Hynes etal,J.PhysChem,1999,103,5967-5977 same as C2F5 C2F4CL + O = CF2:O + CF2CL 1.10E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) same as C2F5 C2F4CL + OH = CF2CL+CF:O + HF 2.20E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5+O) same as C2F5 C2F4CL + HO2 =CF2CL +CF2:O+OH 3.00E13 0. 0. !96BUR/ZAC (upper-limit) same as C2F5 C2F4CL + HO2 = C2HF4CL + O2 3.00E11 0. 0. !96BUR/ZAC (upper-limit)same as C2F5 C2F4CL + CH2O = C2HF4CL + HCO 5.50E03 2.80 5900. !96BUR/ZAC 86TSA/HAM (C2H5) same as C2F5 !COCL2 + CL => CCLO + CL2 1.5E14 0.5 23100 ! Bodenstein et al. Z. Phys. Chem. 40, 1938, 121 !COCL2 + O => CCLO + CLO 6E9 0 0 ! Heron J. Phys. Chem Ref. data 17 1988 967 !COCL2 + OH => CCLO + CLOH 3.01E9 0 0 ! Atkinson Baulch Troe et al. 2001 1-56 !COCL2 => CCLO +CL 5.71E15 0 72300 ! Lim and Michael J. Phys. Chem 98 1994 211 !COCL2 => CO +CL2 1.45E14 0 82500 ! Lim and Michael J. Phys. Chem 98 1994 211 C2HF4CL = C2F4 + HCL 4.00E13 0.00 71600. !71TSC/MIL (EXPT) same as C2HF5 CHF2 + CF2CL = C2HF4CL 2.61E26 -4.16 4100. !96BUR/ZAC (RRKM) same as C2HF5 C2HF4CL + H = C2F4CL + H2 1.40E07 1.60 10200. !96BUR/ZAC (OH)same as C2HF5 C2HF4CL + O = C2F4CL + OH 7.00E07 1.60 7200. !96BUR/ZAC (OH)same as C2HF5 C2HF4CL + OH = C2F4CL + H2O 1.40E07 1.60 2246. !87COH/BEN (NEED) (FIT)same as C2HF5 C2HF4CL + CH3 = C2F4CL + CH4 5.70E10 0.00 9500. !64PRI/THO (EXPT)same as C2HF5 C2HF4CL + C2H3 = C2F4CL + C2H4 6.00E10 0.00 7000. !96BUR/ZAC (CH3)same as C2HF5 C2HF4CL + C2H5 = C2F4CL + C2H6 5.7E10 0.0 11800.!same as C2HF5 C2HF4CL + C2H5O = C2F4CL + C2H5OH 5.7E10 0.0 10600.!same as C2HF5 C2HF4CL + SC2H4OH = C2F4CL + C2H5OH 5.7E10 0.0 15900.!same as C2HF5 C2HF4CL + PC2H4OH = C2F4CL + C2H5OH 5.7E10 0.0 8900.!same as C2HF5 C2HF4CL + CH2F = C2F4CL + CH3F 2.00E11 0.00 10000. !96BUR/ZAC (CH3) same as C2HF5 C2HF4CL + CHF2 = C2F4CL + CH2F2 2.00E11 0.00 10000. !96BUR/ZAC (CH3) same as C2HF5 C2HF4CL + CF3 = C2F4CL + CHF3 1.40E11 0.00 10100. !67GIL/QUI (EXPT) same as C2HF5 C2HF4CL + BR = HBR + C2F4CL 1.10E13 0. 19300. !68AMP/WHI same as C2HF5 C2HF4CL + CL = HCL + C2F4CL 1.10E13 0. 29500. !est C2HF4CL + F = C2F4CL + HF 4.00E13 0.00 1400. !96BUR/ZAC (C2H6) same as C2HF5 !CF2BR + CF2BR (+M) = C2F4BR2 (+M) 9.69e10 0.77 0.0 !Same as C2F6 ! LOW / 2.12e60 -12.51 5910. / ! TROE / 0.069 260. 880. / !H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/0.70/ C2F4BR2 + H = C2F4BR + HBR 1.00E15 0.00 30000. !same as C2F6 C2F4BR2 + CF3 = CF3BR + C2F4BR 3.e12 0.0 11300. !same as C2F6 C2F4BR + H = C2F4 + HBR 1.41E21 -2.40 3630. !96BUR/ZAC (RRKM) same as C2F5 C2F4BR + H = C2HF4BR 1.12E47 -10.80 4100. !96BUR/ZAC (RRKM) same as C2F5 C2F4BR + O2 = CF2BR + CF2:O+ O 1.30E13 0.00 23000. !96BUR/ZAC (CF3) same as C2F5 C2F4BR + H = CHF2 + CF2BR 4.37E16 -0.746 4360. !96BUR/ZAC (RRKM) same as C2F5 C2F4BR + H2O2 = C2HF4BR + HO2 9.00E09 0.00 1000. !96BUR/ZAC 86TSA/HAM (C2H6) same as C2F5 C2F4BR + O =CF2BR+CF:O + F 2.20E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) same as C2F5 C3H8 + C2F4BR = NC3H7 + C2HF4BR 3.9e11 0.0 7800. !1972WHY/CLA689 same as C2F5 C3H8 + C2F4BR = IC3H7 + C2HF4BR 3.3e11 0.0 6100. !1972WHY/CLA689 same as C2F5 C2F4BR = CF2 + CF2BR 4.27e15 0.0 56240. !1991AIN720-725 same as C2F5 C2F4BR + F = CF2BR + CF3 3.16e13 0.0 0. !Hynes etal,J.PhysChem,1999,103,5967-5977 same as C2F5 C2F4BR + O = CF2:O + CF2BR 1.10E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5) same as C2F5 C2F4BR + OH = CF2BR+CF:O + HF 2.20E13 0. 0. !96BUR/ZAC 92BAU/COB (C2H5+O) same as C2F5 C2F4BR + HO2 =CF2BR +CF2:O+OH 3.00E13 0. 0. !96BUR/ZAC (upper-limit) same as C2F5 C2F4BR + HO2 = C2HF4BR + O2 3.00E11 0. 0. !96BUR/ZAC (upper-limit)same as C2F5 C2F4BR + CH2O = C2HF4BR + HCO 5.50E03 2.80 5900. !96BUR/ZAC 86TSA/HAM (C2H5) same as C2F5 C2HF4BR = C2F4 + HBR 4.00E13 0.00 71600. !71TSC/MIL (EXPT) same as C2HF5 CHF2 + CF2BR = C2HF4BR 2.61E26 -4.16 4100. !96BUR/ZAC (RRKM) same as C2HF5 C2HF4BR + H = C2F4BR + H2 1.40E07 1.60 10200. !96BUR/ZAC (OH)same as C2HF5 C2HF4BR + O = C2F4BR + OH 7.00E07 1.60 7200. !96BUR/ZAC (OH)same as C2HF5 C2HF4BR + OH = C2F4BR + H2O 1.40E07 1.60 2246. !87COH/BEN (NEED) (FIT)same as C2HF5 C2HF4BR + CH3 = C2F4BR + CH4 5.70E10 0.00 9500. !64PRI/THO (EXPT)same as C2HF5 C2HF4BR + C2H3 = C2F4BR + C2H4 6.00E10 0.00 7000. !96BUR/ZAC (CH3)same as C2HF5 !C2F4BR + C2H4 = C2H3 + C2HF4BR 1E10 0 0 ! Linyang Ber. Bunsenges phys chem 94 874 1990 !C2F4CL + C2H4 = C2H3 + C2HF4CL 1E10 0 0 ! same as C2F4BR C2HF4BR + C2H5 = C2F4BR + C2H6 5.7E10 0.0 11800.!same as C2HF5 C2HF4BR + C2H5O = C2F4BR + C2H5OH 5.7E10 0.0 10600.!same as C2HF5 C2HF4BR + SC2H4OH = C2F4BR + C2H5OH 5.7E10 0.0 15900.!same as C2HF5 C2HF4BR + PC2H4OH = C2F4BR + C2H5OH 5.7E10 0.0 8900.!same as C2HF5 C2HF4BR + CH2F = C2F4BR + CH3F 2.00E11 0.00 10000. !96BUR/ZAC (CH3) same as C2HF5 C2HF4BR + CHF2 = C2F4BR + CH2F2 2.00E11 0.00 10000. !96BUR/ZAC (CH3) same as C2HF5 C2HF4BR + CF3 = C2F4BR + CHF3 1.40E11 0.00 10100. !67GIL/QUI (EXPT) same as C2HF5 C2HF4BR + BR = HBR + C2F4BR 1.10E13 0. 19300. !68AMP/WHI same as C2HF5 C2HF4BR + CL = HCL + C2F4BR 1.10E13 0. 29500. !est C2HF4BR + F = C2F4BR + HF 4.00E13 0.00 1400. !96BUR/ZAC (C2H6) same as C2HF5 BR + CF2 + M = CF2BR + M 3.6e17 0.0 0. !Codnia etal,Photochem-Photobiol,2006,82755-762 !CF2BR + CF2CL (+M) = C2F4BRCL (+M) 9.69e10 0.77 0.0 !Same as C2F6 ! LOW / 2.12e60 -12.51 5910. / ! TROE / 0.069 260. 880. / !H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/0.70/ C2F4BRCL + H = C2F4CL + HBR 1.00E15 0.00 30000. !same as C2F6 C2F4BRCL + CF3 = CF3BR + C2F4CL 3.e12 0.0 11300. !same as C2F6 ! C2H4 + CF2BR = C2H3 + CHF2BR 1E11 0 3080 ! Tedder Walton J. Chem Soc. Faraday Trans. 1 70 308 (1974) C2H3BR + CL = C2H3CL + BR 8.61E13 0 0 ! Park J. Phys. Chem. 1983, 87, 1812-1818 END !-------------------------------------------------------------------------------!