!"The influence of ethanol addition on a rich premixed benzene flame at low pressure" ! Veronique Dias, Haddy Mbuyi Katshiatshia, Herve Jeanmart !Accepted in Combustion and Flame, 2014 ELEMENTS O H C AR N END SPECIES H2 H O O2 OH CH2COOH CH3CO2 CH3COOH HCOOH C2H5CHO C2H5CO CH3COCH3 CH3COCH2 H2O HO2 CH CH2 CH3 CH4 CO CO2 HCO CH2O C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH CH2(S) C2H5OCO H2O2 AR C2H5OCHO C3H2 C3H3 pC3H4 aC3H4 C4H2 H2C4O n-C4H3 i-C4H3 C4H4 n-C4H5 i-C4H5 C4H6 C4H8 C4H7 C4H C6H2 C6H3 C6H4 C6H C6H6 C6H5 C6H6O C6H5O C5H6 C5H5 C5H5C2H3 C5H5C2H2 C3H8 nC3H7 iC3H7 C3H6 C3H5 CH3CHO CH3CO C7H7 C7H8 C8H6 C8H8 C8H5 C8H7 C9H7 C9H8 C10H8 C10H7*1 C10H7O DMM DMM1 DMM2 CH3OCH2O CH3OCH2 CH3OCHO CH3OCO CH3O CH3OH CH2OH FULVENE C12H9 A3 DEM C2H5OCH2OH C2H5OCH2O C2H4OCH2OH C2H4OH C2H5OH CH2CHO CH3CH2O CH3CHOH CH2CH2OCH2OCH2CH3 CH3CH2OCHOCH2CH3 CH3CHOCH2OCH2CH3 C2H5OCH2 FULVENYL c-C6H4 PHCH2 CH3O2 CH3O2H CH3CHCHO CH2CH2CHO CH3CHCO CH2CHCO CH2CHCHO CH3CHOCHO C12H10 C10H7*2 C10H7O-1 C10H7O-2 C12H8 C12H11 A2CH3-1 A2CH2-1 A2CH3-2 A2CH2-2 A2CH2-1f A2CH2-2f A2CH2-1f* A2CH2-2f* C5H4 C5H4H C5H5O C5H4O C5H4OH C5H3 C5H3(L) C5H2(L) A3*1 A3*2 A3*4 A3*9 A3L A3L*1 A3L*2 A3L*9 PYRENE PYRENE*1 PYRENE*2 PYRENE*4 C10H7OH-1 C10H7OH-2 C2O C12H8J1 C12H8J3 C12H8J4 C12H8J5 N2 N NO NO2 N2O NH HNO NH2 NNH N2H2 NH3 H2NO HONO C CN HCN HCNO H2CN HOCN NCO HNCO C2N2 NCN C6H5CH END REACTIONS CAL/MOLE H+O2 = OH+O 1.040000E+014 0.000000E+000 1.529000E+004 !Keromnes (2013) H2+O = H+OH 5.080000E+004 2.670000E+000 6.292000E+003 !Keromnes (2013) OH+H2 = H2O+H 4.380000E+013 0.000000E+000 6.990000E+003 !Keromnes (2013) H2O+O = OH+OH 2.970000E+006 2.020000E+000 1.340000E+004 !Keromnes (2013) H2+M = H+H+M 4.577000E+019 -1.400000E+000 1.044000E+005 !Keromnes (2013) H2O /1.200000E+001/ H2 /2.500000E+000/ CO /1.900000E+000/ CO2 /3.800000E+000/ O+O+M = O2+M 6.165000E+015 -5.000000E-001 0.000000E+000 !Keromnes (2013) H2O /1.200000E+001/ H2 /2.500000E+000/ CO /1.900000E+000/ CO2 /3.800000E+000/ H+OH+M = H2O+M 3.500000E+022 -2.000000E+000 0.000000E+000 !Keromnes (2013) H2O /3.650000E+000/ H2 /7.300000E-001/ CO /1.900000E+000/ CO2 /3.800000E+000/ H+O2(+M) = HO2(+M) 4.650000E+012 4.400000E-001 0.000000E+000 !Keromnes (2013) LOW /1.737000E+019 -1.230000E+000 0.000000E+000/ H2O /1.000000E+001/ H2 /1.300000E+000/ CO /1.900000E+000/ CO2 /3.800000E+000/ H+HO2 = OH+OH 7.079000E+013 0.000000E+000 2.950000E+002 !Keromnes (2013) H2+O2 = H+HO2 5.176000E+005 2.430000E+000 5.350000E+004 !Keromnes (2013) HO2+O = O2+OH 3.250000E+013 0.000000E+000 0.000000E+000 !Keromnes (2013) OH+HO2 = H2O+O2 2.456000E+013 0.000000E+000 -4.970000E+002 !Keromnes (2013) HO2+HO2 = O2+H2O2 1.300000E+011 0.000000E+000 -1.630000E+003 !GRI 3.0 DUPLICATE HO2+HO2 = O2+H2O2 3.658000E+014 0.000000E+000 1.200000E+004 !Keromnes (2013) DUPLICATE H2O2(+M) = OH+OH(+M) 2.000000E+012 9.000000E-001 4.875000E+004 !Keromnes (2013) LOW /2.490000E+024 -2.300000E+000 4.875000E+004/ H2 /3.700000E+000/ O2 /1.200000E+000/ CO /2.800000E+000/ CO2 /1.600000E+000/ H2O2+H = HO2+H2 2.150000E+010 1.000000E+000 6.000000E+003 !Kermnes (2013) OH+H2O2 = HO2+H2O 1.740000E+012 0.000000E+000 3.180000E+002 !Keromnes (2013) DUPLICATE OH+H2O2 = HO2+H2O 7.590000E+013 0.000000E+000 7.269000E+003 !Keromnes (2013) DUPLICATE H+O+M = OH+M 4.714000E+018 -1.000000E+000 0.000000E+000 !Keromnes (2013) H2O /1.200000E+001/ H2 /2.500000E+000/ CO /1.500000E+000/ CO2 /2.000000E+000/ CO+OH = CO2+H 7.015000E+004 2.050000E+000 -3.557000E+002 !Keromnes (2013) DUPLICATE CO+OH = CO2+H 5.757000E+012 -6.600000E-001 3.318000E+002 !Keromnes (2013) DUPLICATE H+CH2O = HCO+H2 1.260000E+008 1.620000E+000 2.170000E+003 !Nico O+CH2O = HCO+OH 1.070000E+013 5.700000E-001 2.762000E+003 !Baulch (1992) OH+CH2O = HCO+H2O 1.800000E+013 0.000000E+000 4.360000E+002 !Vando CH2O+M = HCO+H+M 3.300000E+039 -6.300000E+000 9.990400E+004 ! Ar /7.000000E-001/ H2 /2.000000E+000/ CO /1.500000E+000/ CH2O /3.000000E+000/ H+HCO = CO+H2 7.340000E+013 0.000000E+000 0.000000E+000 !Keromnes (2013) O+HCO = CO2+H 3.000000E+013 0.000000E+000 0.000000E+000 !Keromnes (2013) O+HCO = CO+OH 3.020000E+013 0.000000E+000 0.000000E+000 !Keromnes (2013) OH+HCO = CO+H2O 1.020000E+014 0.000000E+000 0.000000E+000 ! BaulCH (1992) O2+HCO = CO+HO2 7.580000E+012 0.000000E+000 4.100000E+002 !Keromnes (2013) HCO+M = CO+H+M 4.750000E+011 6.600000E-001 1.487000E+004 !Keromnes (2013) H2O /1.200000E+001/ H2 /2.000000E+000/ CO /1.500000E+000/ CO2 /2.000000E+000/ H+CH2 = CH+H2 6.020000E+012 0.000000E+000 -1.789000E+003 ! BaulCH (1992) O+CH2 = CO+H+H 1.200000E+014 0.000000E+000 0.000000E+000 ! BaulCH (1992) O2+CH2 = CO2+H+H 2.470000E+013 0.000000E+000 1.491000E+003 ! BaulCH (1992) O+CH = CO+H 3.970000E+013 0.000000E+000 0.000000E+000 ! BaulCH (1992) O2+CH = CO+OH 3.310000E+013 0.000000E+000 0.000000E+000 ! BaulCH (1992) H+HCCO = CH2(S)+CO 1.000000E+014 0.000000E+000 0.000000E+000 ! Miller (1992) O+HCCO = CO+CO+H 9.640000E+013 0.000000E+000 0.000000E+000 ! BaulCH (1992) HCCO+OH => HCO+CO+H 1.000000E+014 0.000000E+000 0.000000E+000 ! Peeters (1996) HCCO+O2 => CO+CO+OH 1.630000E+012 0.000000E+000 8.550000E+002 ! Peeters (1996) CH+CO2 = HCO+CO 3.400000E+012 0.000000E+000 6.900000E+002 ! Miller (1992) CO+O(+M) = CO2(+M) 1.362000E+010 0.000000E+000 2.384000E+003 !Keromnes (2013) LOW /1.173000E+024 -2.790000E+000 4.191000E+003/ H2O /1.200000E+001/ H2 /2.000000E+000/ CO /1.750000E+000/ CO2 /3.600000E+000/ CO+O2 = CO2+O 1.119000E+012 0.000000E+000 4.770000E+004 !Keromnes (2013) HO2+CO = CO2+OH 1.570000E+005 2.180000E+000 1.794000E+004 !Keromnes (2013) CH2+CH2 = C2H2+H2 1.200000E+014 0.000000E+000 7.950000E+002 ! BaulCH (1992) CH3+CH2 = C2H4+H 4.220000E+013 0.000000E+000 0.000000E+000 ! BaulCH (1992) CH2(S)+M = CH2+M 1.000000E+013 0.000000E+000 0.000000E+000 H /0.000000E+000/ H2O /0.000000E+000/ C2H2 /0.000000E+000/ CH2(S)+CH4 = 2CH3 4.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) CH2(S)+C2H6 = CH3+C2H5 1.200000E+014 0.000000E+000 0.000000E+000 ! Miller (1992) CH2(S)+O2 = CO+OH+H 7.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) CH2(S)+H2O = CH3+OH 7.500000E+006 2.000000E+000 5.000000E+003 ! Richter (1999) CH2(S)+H2O = CH2+H2O 3.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) CH2(S)+C2H2 = CH2+C2H2 4.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) CH2(S)+H = CH2+H 2.000000E+014 0.000000E+000 0.000000E+000 ! Miller (1992) CH2(S)+O = CO+2H 3.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) CH2(S)+OH = CH2O+H 3.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) CH2(S)+H = CH+H2 3.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) CH2(S)+CO2 = CH2O+CO 1.400000E+013 0.000000E+000 0.000000E+000 ! Gri 1.2 (1995) CH2(S)+CH3 = C2H4+H 2.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) CH2(S)+CH2CO = C2H4+CO 1.600000E+014 0.000000E+000 0.000000E+000 ! Miller (1992) O+CH2CO = HCO+HCO 2.290000E+012 0.000000E+000 1.352000E+003 ! BaulCH (1992) CH2CO+M = CH2+CO+M 1.000000E+016 0.000000E+000 5.932400E+004 ! Warnatz (1984) CH3CHO+O2 = CH3CO+HO2 3.000000E+013 0.000000E+000 3.910000E+004 ! Davis (1999) CH3CHO+OH = CH3CO+H2O 2.350000E+010 7.300000E-001 -1.110000E+003 ! Davis (1999) CH3CHO+O = CH3CO+OH 5.800000E+012 0.000000E+000 1.800000E+003 ! Davis (1999) CH3CHO+CH3 = CH3CO+CH4 2.000000E-006 5.600000E+000 2.460000E+003 ! Davis (1999) CH3CO+O = CH2CO+OH 3.900000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) CH3CO+O = CH3+CO2 1.00000E+013 0.000000E+000 0.000000E+000 ! Pichon (2009) CH3CO+OH = CH2CO+H2O 1.200000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) CH3CO+OH = CH3+CO+OH 3.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) CH3CO+HO2 = CH3+CO2+OH 3.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) CH3+HCO = CH3CHO 1.800000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) H+CH4 = H2+CH3 1.320000E+004 3.000000E+000 8.041000E+003 ! BaulCH (1992) O+CH4 = OH+CH3 9.030000E+008 1.560000E+000 8.489000E+003 ! BaulCH (1992) OH+CH4 = H2O+CH3 1.560000E+007 1.830000E+000 2.783000E+003 ! BaulCH (1992) CH3+H+M = CH4+M 8.000000E+026 -3.000000E+000 0.000000E+000 !Miller (1992) H2 /2.000000E+000/ CO /2.000000E+000/ CO2 /3.000000E+000/ H2O /5.000000E+000/ CH2+H2 = CH3+H 7.000000E+013 0.000000E+000 0.000000E+000 !Richter (2002) O+CH3 = CH2O+H 8.430000E+013 0.000000E+000 0.000000E+000 ! BaulCH (1992) O2+CH3 = CH2O+OH 3.310000E+011 0.000000E+000 8.946000E+003 ! BaulCH (1992) OH+CH3 = CH2O+H2 8.000000E+012 0.000000E+000 0.000000E+000 ! BaulCH (1992) OH+CH3 = CH2+H2O 3.610000E+013 0.000000E+000 0.000000E+000 ! BaulCH (1992) CH3+CH2O = HCO+CH4 4.090000E+012 0.000000E+000 8.847000E+003 ! BaulCH (1992) CH3+CH3 = C2H6 9.973000E+025 -3.890000E+000 5.100000E+003 ! Daily (1999) CH3+CH3 = C2H5+H 8.920000E+011 -5.000000E-003 1.185000E+004 ! CH3+CH3 = C2H4+H2 1.000000E+016 0.000000E+000 3.201300E+004 ! Warnatz (1984) C2H3+O2 = C2H2+HO2 1.000000E+011 0.000000E+000 0.000000E+000 ! Davis (1999) C2H3+OH = C2H2+H2O 2.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) O+C2H3 = CH2CO+H 3.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) C2H3+H = C2H2+H2 1.200000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) H+C2H2(+M) = C2H3(+M) 5.600000E+012 0.000000E+000 2.400000E+003 LOW /3.800000E+040 -7.270000E+000 7.220000E+003/ TROE /7.507000E-001 9.850000E+001 1.302000E+003 4.167000E+003/ H2+C2H = H+C2H2 4.9E5 2.5 560 ! Li (2011) O+C2H2 = CH2+CO 6.940000E+006 2.000000E+000 1.900000E+003 !GRI O+C2H2 = HCCO+H 1.350000E+007 2.000000E+000 1.900000E+003 !GRI OH+C2H2 = CH2CO+H 2.180000E-004 4.500000E+000 -1.000000E+003 ! Miller (1992) OH+C2H2 = H2O+C2H 3.370000E+007 2.000000E+000 1.400000E+004 ! Miller (1992) C2H+O = CO+CH 1.020000E+013 0.000000E+000 0.000000E+000 ! BaulCH (1992) C2H+O2 = CO+CO+H 3.520000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) C2H+O2 = CO+HCO 5.000000E+013 0.000000E+000 1.500000E+003 ! Davis (1999) C2H+CO2 = HCCO+CO 2.000000E+012 0.000000E+000 0.000000E+000 ! Dias (2002) O2+C2H3 = CH2O+HCO 5.420000E+012 0.000000E+000 0.000000E+000 !Warnatz (1984) C2H2+O = C2H+OH 3.160000E+015 -6.000000E-001 1.500000E+004 ! Miller (1992) CH+CH2 = C2H2+H 4.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) C2H3+CH2 = C2H2+CH3 3.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) C2H3+C2H = C2H2+C2H2 3.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) C2H3+CH = CH2+C2H2 5.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) OH+C2H2 = HCCOH+H 5.040000E+005 2.300000E+000 1.350000E+004 ! Miller (1992) HCCOH+H = H+CH2CO 1.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) OH+C2H2 = CH3+CO 4.830000E-004 4.000000E+000 -2.000000E+003 ! Miller (1992) CH+HCCO = C2H2+CO 5.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) HCCO+HCCO = C2H2+CO+CO 1.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) C2H2+O2 = HCCO+OH 2.000000E+008 1.500000E+000 3.010000E+004 ! Miller (1992) CH+C2H2 = C3H2+H 1.000000E+014 0.000000E+000 0.000000E+000 ! Miller (1992) HCCO+C2H2 = C3H3+CO 1.000000E+011 0.000000E+000 3.000000E+003 ! Miller (1992) CH2(S)+C2H2 = C3H3+H 1.500000E+014 0.000000E+000 0.000000E+000 ! MarinOv (1998) CH3+C2H = C3H3+H 2.410000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) CH2+C2H2 => C3H3+H 1.000000E+012 0.000000E+000 0.000000E+000 ! Davis (1999) C3H3+H => CH2+C2H2 1.010000E+013 0.000000E+000 1.579500E+004 ! Davis (1999) C2H4+O = HCO+CH3 4.720000E+006 1.880000E+000 1.820000E+002 ! Baulch (2005) OH+C2H4 = C2H3+H2O 2.050000E+013 0.000000E+000 5.944000E+003 ! BaulCH (1992) H+C2H4 = H2+C2H3 9E13 0 0 ! Li (2011) C2H4+M = C2H2+H2+M 1.500000E+015 0.000000E+000 5.580000E+004 H2 /2.000000E+000/ H2O /5.000000E+000/ CO /2.000000E+000/ CO2 /3.000000E+000/ CH3+C2H6 = C2H5+CH4 6.140000E+006 1.740000E+000 1.045000E+004 ! GRI 3.0 H+C2H6 = H2+C2H5 1.150000E+008 1.900000E+000 7.530000E+003 !GRI O+C2H6 = OH+C2H5 1.000000E+009 1.500000E+000 5.805000E+003 ! BaulCH (1992) OH+C2H6 = H2O+C2H5 7.230000E+006 2.000000E+000 8.650000E+002 ! BaulCH (1992) O+C2H5 = CH3CHO+H 6.620000E+013 0.000000E+000 0.000000E+000 ! BaulCH (1992) O2+C2H5 = HO2+C2H4 1.020000E+011 0.000000E+000 -2.186000E+003 ! BAULCH (1992) C3H2+O = C2H2+CO 6.800000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) C3H2+OH = HCO+C2H2 1.00000E+013 0.000000E+000 0.000000E+000 ! Blanquart (2009) C3H2+O2 = HCCO+H+CO 5E13 0.000000E+000 0.000000E+000 ! Miller (1992) C3H2+CH = C4H2+H 5.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) C3H2+CH2 = n-C4H3+H 5.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) C3H2+CH3 = C4H4+H 5.000000E+012 0.000000E+000 0.000000E+000 ! Davis (1999) C3H2+HCCO = n-C4H3+CO 1.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) aC3H4+M = C3H3+H+M 2.000000E+018 0.000000E+000 8.000000E+004 ! Tan (1994) pC3H4+M = C3H3+H+M 4.700000E+018 0.000000E+000 8.000000E+004 ! Tan (1994) C3H3+H = C3H2+H2 1.200000E+014 0.000000E+000 1.000000E+003 ! Davis (1999) C3H3+O = CH2O+C2H 2.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) C3H3+OH = C3H2+H2O 5.00000E+012 0.000000E+000 0.000000E+000 ! Dagaut (2002) C3H3+O2 = CH2CO+HCO 3.000000E+010 0.000000E+000 2.868000E+003 ! Davis (1999) C3H3+HO2 = OH+CO+C2H3 8.000000E+011 0.000000E+000 0.000000E+000 ! Davis (1999) C3H3+HO2 = aC3H4+O2 3.000000E+011 0.000000E+000 0.000000E+000 ! Davis (1999) C3H3+HO2 = pC3H4+O2 2.500000E+012 0.000000E+000 0.000000E+000 ! Davis (1999) C3H3+HCCO = C4H4+CO 2.500000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) C3H3+CH = i-C4H3+H 5.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) C3H3+CH2 = C4H4+H 5.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) i-C4H5+H = C3H3+CH3 2.000000E+013 0.000000E+000 2.000000E+003 ! Davis (1999) C2H3+CH2 = aC3H4+H 3.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) aC3H4+H = C3H3+H2 2.000000E+007 2.000000E+000 5.000000E+003 ! MarinOv (1998) aC3H4+H = C3H5 1.520000E+059 -1.354000E+001 2.694900E+004 ! Davis (1999) aC3H4+O = C2H4+CO 2.000000E+007 1.800000E+000 1.000000E+003 ! Davis (1999) aC3H4+OH = C3H3+H2O 2.000000E+007 2.000000E+000 1.000000E+003 ! Miller (1992) aC3H4+CH3 = C3H3+CH4 1.300000E+012 0.000000E+000 7.700000E+003 ! Davis (1999) aC3H4+C2H = C2H2+C3H3 1.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) C2H3+CH2 = pC3H4+H 3.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) pC3H4 = aC3H4 5.150000E+060 -1.393000E+001 9.111700E+004 ! Davis (1999) pC3H4+H = aC3H4+H 6.270000E+017 -9.100000E-001 1.007900E+004 ! Davis (1999) pC3H4+H = C3H5 4.910000E+060 -1.437000E+001 3.164400E+004 ! Davis (1999) pC3H4+H = C3H3+H2 2.000000E+007 2.000000E+000 5.000000E+003 ! MarinOv (1998) pC3H4+H = CH3+C2H2 2.000000E+013 0.000000E+000 2.400000E+003 ! Harris (1988) pC3H4+O = HCCO+CH3 7.300000E+012 0.000000E+000 2.250000E+003 ! Davis (1999) pC3H4+O = C2H4+CO 1.000000E+013 0.000000E+000 2.250000E+003 ! Davis (1999) pC3H4+OH = C3H3+H2O 3.540000E+006 2.120000E+000 8.700000E+002 ! Wang (1997) pC3H4+C2H = C2H2+C3H3 1.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) pC3H4+CH3 = C3H3+CH4 1.800000E+012 0.000000E+000 7.700000E+003 ! Davis (1999) C2H2+CH3 = aC3H4+H 5.140000E+009 8.600000E-001 2.215300E+004 ! Davis (1999) C3H6+H => C2H4+CH3 1.320000E+013 0.000000E+000 3.263000E+003 ! Tsang (1991) C2H4+CH3 => C3H6+H 6.630000E+012 0.000000E+000 1.591600E+004 ! Tsang (1991) C3H6+H = C3H5+H2 6.460000E+012 0.000000E+000 4.445000E+003 ! Tan (1994) C3H6+O = CH2CO+CH3+H 1.200000E+008 1.650000E+000 3.270000E+002 ! Davis (1999) C3H6+O = C2H5+HCO 3.500000E+007 1.650000E+000 -9.720000E+002 ! Davis (1999) C3H6+O = C3H5+OH 1.800000E+011 7.000000E-001 5.880000E+003 ! Davis (1999) C3H6+OH = C3H5+H2O 3.100000E+006 2.000000E+000 -2.980000E+002 ! Davis (1999) C3H6+HO2 = C3H5+H2O2 9.600000E+003 2.600000E+000 1.391000E+004 ! Davis (1999) C3H6+CH3 = C3H5+CH4 2.200000E+000 3.500000E+000 5.675000E+003 ! Davis (1999) C3H6 = C2H3+CH3 1.100000E+021 -1.200000E+000 9.772000E+004 !Tsang (1991) C3H5+H(+M) = C3H6(+M) 2.000000E+014 0.000000E+000 0.000000E+000 LOW /1.330000E+060 -1.200000E+001 5.967800E+003/ TROE /2.000000E-002 1.096600E+003 1.096600E+003 6.859500E+003/ H2 /2.000000E+000/ H2O /6.000000E+000/ CH4 /2.000000E+000/ CO /1.500000E+000/ CO2 /2.000000E+000/ C2H6 /3.000000E+000/ AR /7.000000E-001/ C3H5+H = aC3H4+H2 1.800000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) C3H5+OH = aC3H4+H2O 6.000000E+012 0.000000E+000 0.000000E+000 ! Davis (1999) C3H5+O2 = CH3CO+CH2O 1.060000E+010 3.400000E-001 1.283800E+004 ! MarinOv (1998) C3H5+HO2 = C3H6+O2 2.660000E+012 0.000000E+000 0.000000E+000 ! Davis (1999) C3H5+HO2 = OH+C2H3+CH2O 6.600000E+012 0.000000E+000 0.000000E+000 ! Davis (1999) C3H5+HCO = C3H6+CO 6.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) C3H5+CH3 = aC3H4+CH4 3.000000E+012 -3.200000E-001 -1.310000E+002 ! Davis (1999) CH3+C2H2 = C3H5 2.680000E+053 -1.282000E+001 3.573000E+004 ! Davis (1999) C2H3+CH3 => C3H5+H 2.570000E+013 0.000000E+000 0.000000E+000 ! Tsang (1991) C2H3+C2H5 = C3H5+CH3 3.900000E+032 -5.220000E+000 1.974700E+004 ! Davis (1999) C3H8+H = H2+nC3H7 1.300000E+006 2.540000E+000 6.756000E+003 ! Davis (1999) C3H8+H = H2+iC3H7 1.300000E+006 2.400000E+000 4.471000E+003 ! Davis (1999) C3H8+O = nC3H7+OH 1.900000E+005 2.680000E+000 3.716000E+003 ! Davis (1999) C3H8+O = iC3H7+OH 4.760000E+004 2.710000E+000 2.106000E+003 ! Davis (1999) C3H8+OH = nC3H7+H2O 1.400000E+003 2.660000E+000 5.270000E+002 ! Davis (1999) C3H8+OH = iC3H7+H2O 2.700000E+004 2.390000E+000 3.930000E+002 ! Davis (1999) C3H8+HO2 = nC3H7+H2O2 4.760000E+004 2.550000E+000 1.649000E+004 ! Davis (1999) C3H8+HO2 = iC3H7+H2O2 9.640000E+003 2.600000E+000 1.391000E+004 ! Davis (1999) C3H8+CH3 = CH4+nC3H7 9.030000E-001 3.650000E+000 7.153000E+003 ! Davis (1999) C3H8+CH3 = CH4+iC3H7 1.510000E+000 3.460000E+000 5.480000E+003 ! Davis (1999) nC3H7+H = C2H5+CH3 3.700000E+024 -2.920000E+000 1.250500E+004 ! Davis (1999) nC3H7+H = C3H6+H2 1.800000E+012 0.000000E+000 0.000000E+000 ! Davis (1999) nC3H7+OH = C3H6+H2O 2.400000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) nC3H7+O2 = C3H6+HO2 9.000000E+010 0.000000E+000 0.000000E+000 ! Davis (1999) nC3H7+HO2 = C2H5+OH+CH2O 2.400000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) nC3H7+HCO = C3H8+CO 6.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) nC3H7+CH3 = CH4+C3H6 1.100000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) iC3H7+H = CH3+C2H5 1.400000E+028 -3.940000E+000 1.591600E+004 ! Davis (1999) iC3H7+H = C3H6+H2 3.200000E+012 0.000000E+000 0.000000E+000 ! Davis (1999) iC3H7+O = CH3CHO+CH3 9.600000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) iC3H7+OH = C3H6+H2O 2.400000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) iC3H7+O2 = C3H6+HO2 1.300000E+011 0.000000E+000 0.000000E+000 ! Davis (1999) iC3H7+HO2 = CH3CHO+CH3+OH 2.400000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) iC3H7+HCO = C3H8+CO 1.200000E+014 0.000000E+000 0.000000E+000 ! Davis (1999) iC3H7+CH3 = CH4+C3H6 2.200000E+014 -6.800000E-001 0.000000E+000 ! Davis (1999) CH3+C2H4 = nC3H7 3.300000E+011 0.000000E+000 7.700000E+003 ! Davis (1999) C4H2+O = C3H2+CO 1.200000E+012 0.000000E+000 0.000000E+000 ! Miller (1992) C4H2+H = C2H2+C2H 5.000000E+013 0.000000E+000 0.000000E+000 ! Li (2011) C2H2+C2H = n-C4H3 1.300000E+030 -6.120000E+000 2510 !Appel (2000) C2H2+C2H = i-C4H3 2.600000E+044 -9.470000E+000 1.465000E+004 ! Davis (1999) C2H2+C2H3 = C4H4+H 1.580000E+013 0.000000E+000 2.500000E+004 !Gardiner (1980) C2H4+C2H = C4H4+H 1.200000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) i-C4H3(+M)=C4H2+H(+M) 1.00E+14 0.0 47000.0 ! Marinov 1998 low / 2.0E+15 0.0 40000.0/ ! Marinov 1998 n-C4H3(+M)=C4H2+H(+M) 1.00E+14 0.0 36000.0 ! Miller 1992 low / 1.00E+14 0.0 30000.0 / ! Miller 1992 C4H2+OH = H2C4O+H 6.600000E+012 0.000000E+000 -4.100000E+002 ! Davis (1999) H2C4O+H = C2H2+HCCO 5.000000E+013 0.000000E+000 3.000000E+003 ! Davis (1999) H2C4O+OH = CH2CO+HCCO 1.000000E+007 2.000000E+000 2.000000E+003 ! Davis (1999) C4H4+C2H => C4H2+C2H3 1.000000E+013 0.000000E+000 0.000000E+000 ! Bastin (1989) C4H2+C2H3 => C4H4+C2H 1.570000E+013 0.000000E+000 2.750200E+004 ! Bastin (1989) n-C4H3+H = i-C4H3+H 2.500000E+020 -1.670000E+000 1.080000E+004 ! Davis (1999) n-C4H3+H = C2H2+C2H2 6.300000E+025 -3.340000E+000 1.001400E+004 ! Davis (1999) i-C4H3+H = C2H2+C2H2 2.800000E+023 -2.550000E+000 1.078000E+004 ! Davis (1999) n-C4H3+H = C4H4 2.000000E+047 -1.026000E+001 1.307000E+004 ! Davis (1999) i-C4H3+H = C4H4 3.400000E+043 -9.010000E+000 1.212000E+004 ! Davis (1999) n-C4H3+H = C4H2+H2 3.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) i-C4H3+H = C4H2+H2 1.000000E+013 0.000000E+000 0.000000E+000 ! Harris (1988) n-C4H3+OH = C4H2+H2O 2.000000E+012 0.000000E+000 0.000000E+000 ! Davis (1999) i-C4H3+OH = C4H2+H2O 4.000000E+012 0.000000E+000 0.000000E+000 ! Davis (1999) i-C4H3+O2 = HCCO+CH2CO 7.860000E+016 -1.800000E+000 0.000000E+000 ! Davis (1999) n-C4H5+M = C4H4+H+M 1.000000E+014 0.000000E+000 3.000000E+004 !Richter (2002) i-C4H5+M = C4H4+H+M 2.000000E+015 0.000000E+000 4.200000E+004 !Richter (2002) C4H4+H = n-C4H3+H2 6.650000E+005 2.530000E+000 1.224000E+004 ! Davis (1999) C4H4+H = i-C4H3+H2 3.330000E+005 2.530000E+000 9.240000E+003 ! Davis (1999) C4H4+OH = n-C4H3+H2O 7.5E6 2.000000E+000 5000 ! Miller (1992) C4H4+OH = i-C4H3+H2O 2.0000E+007 2.000000E+000 2000 ! Miller (1992) C4H+H2 = C4H2+H 4.9E5 2.5 560 ! Li (2011) C2H2+C2H3 = n-C4H5 1.1E32 -7.33 6200 ! Li (2011) C2H2+C2H3 = i-C4H5 1.600000E+046 -1.098000E+001 1.860000E+004 ! Davis (1999) C4H6+H = C2H4+C2H3 2.000000E+012 0.000000E+000 0.000000E+000 ! Kiefer (1985) A*4 C2H3+C2H3 = C4H6 1.500000E+042 -8.840000E+000 1.248300E+004 ! Davis (1999) C2H3+C2H3 = i-C4H5+H 1.200000E+022 -2.440000E+000 1.365400E+004 ! Davis (1999) C2H3+C2H3 = n-C4H5+H 2.400000E+020 -2.040000E+000 1.536100E+004 ! Davis (1999) n-C4H5 = i-C4H5 1.500000E+067 -1.689000E+001 5.910000E+004 ! Davis (1999) n-C4H5+H = i-C4H5+H 3.100000E+026 -3.350000E+000 1.742300E+004 ! Davis (1999) C4H6 = i-C4H5+H 5.700000E+036 -6.270000E+000 1.123500E+005 ! Davis (1999) C4H6 = n-C4H5+H 5.300000E+044 -8.620000E+000 1.236100E+005 ! Davis (1999) n-C4H5+H = C4H4+H2 1.500000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) i-C4H5+H = C4H4+H2 3.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) n-C4H5+OH = C4H4+H2O 2.000000E+012 0.000000E+000 0.000000E+000 ! Davis (1999) i-C4H5+OH = C4H4+H2O 4.000000E+012 0.000000E+000 0.000000E+000 ! Davis (1999) n-C4H5+O2 => C2H4+CO+HCO 4.160000E+010 0.000000E+000 2.500000E+003 ! Davis (1999) i-C4H5+O2 = CH2CO+CH2CHO 7.860000E+016 -1.800000E+000 0.000000E+000 ! Davis (1999) n-C4H5+HCO = C4H6+CO 9.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) i-C4H5+HCO = C4H6+CO 9.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) C4H6+H = n-C4H5+H2 1.330000E+006 2.530000E+000 1.224000E+004 ! Davis (1999) C4H6+H = i-C4H5+H2 6.650000E+005 2.530000E+000 9.240000E+003 ! Davis (1999) C4H6+H = pC3H4+CH3 7.000000E+012 0.000000E+000 2.000000E+003 ! Davis (1999) C4H6+O = HCO+C3H5 6.000000E+008 1.450000E+000 -8.600000E+002 ! Davis (1999) C4H6+OH = n-C4H5+H2O 6.200000E+006 2.000000E+000 3.430000E+003 ! Davis (1999) C4H6+OH = i-C4H5+H2O 3.100000E+006 2.000000E+000 4.300000E+002 ! Davis (1999) C2H2+C2H5 => C4H6+H 1.100000E+012 0.000000E+000 1.663600E+004 ! DOut C4H6+H => C2H2+C2H5 5.790000E+012 0.000000E+000 3.103000E+003 ! DOut C3H3+CH3 = C4H6 1.500000E+012 0.000000E+000 0.000000E+000 ! Davis (1999) C4H8+H = C2H4+C2H5 1.600000E+022 -2.390000E+000 1.118000E+004 ! Davis (1999) C3H6+CH3 => C4H8+H 6.800000E+013 0.000000E+000 1.772000E+004 ! MusiCk (1996) CH3+C3H5 => C4H8 6.200000E+031 -5.630000E+000 4.978000E+003 ! Tsang (1991) C4H8 => CH3+C3H5 5.060000E+032 -5.630000E+000 7.667900E+004 ! Tsang (1991) C4H8+H = C4H7+H2 6.500000E+005 2.540000E+000 6.756000E+003 ! Davis (1999) C4H8+O = nC3H7+HCO 3.300000E+008 1.450000E+000 -4.020000E+002 ! Davis (1999) C4H8+O = C4H7+OH 2.600000E+013 0.000000E+000 4.470000E+003 ! Davis (1999) C4H8+OH = C4H7+H2O 7.000000E+002 2.660000E+000 5.270000E+002 ! Davis (1999) C4H8+HO2 = C4H7+H2O2 1.500000E+011 0.000000E+000 1.490000E+004 ! Davis (1999) C4H8+CH3 = C4H7+CH4 4.500000E-001 3.650000E+000 7.153000E+003 ! Davis (1999) C4H7 = C4H6+H 2.280000E+052 -1.201000E+001 5.123000E+004 ! Davis (1999) C4H7+H = CH3+C3H5 2.000000E+021 -2.000000E+000 1.100000E+004 ! Davis (1999) C4H7+H = C4H6+H2 1.800000E+012 0.000000E+000 0.000000E+000 ! Davis (1999) C4H7+O2 = C4H6+HO2 1.000000E+011 0.000000E+000 0.000000E+000 ! Davis (1999) C4H7+HCO = C4H8+CO 6.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) C4H7+CH3 = C4H6+CH4 1.100000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) C2H3+C2H4 = C4H7 7.930000E+038 -8.470000E+000 1.422000E+004 ! Davis (1999) C2H3+C2H5 = C4H8 3.910000E+013 0.000000E+000 0.000000E+000 ! Fahr (2004) C3H3+C2H3 = C5H5+H 9.630000E+040 -7.800000E+000 2.882000E+004 ! MarinOv (1998) C5H6+O2 = C5H5+HO2 5.000000E+013 0.000000E+000 3.540000E+004 ! MarinOv (1998) C5H6+HO2 = C5H5+H2O2 1.990000E+012 0.000000E+000 1.166000E+004 ! MarinOv (1998) C5H6+OH = C5H5+H2O 3.430000E+009 1.200000E+000 -4.470000E+002 !Val C5H6+O = C5H5+OH 1.810000E+014 0.000000E+000 3.080000E+003 !Val C5H6+H = C5H5+H2 2.800000E+013 0.000000E+000 2.259000E+003 !Richter (2002) C5H6+CH3 = C5H5+CH4 4.160000E+012 0.000000E+000 1.113000E+004 !Val C2H3+pC3H4 = C5H6+H 1.000000E+013 0.000000E+000 1.000000E+003 ! AnCia (1998) C5H6+H = C3H5+C2H2 1.000000E+013 0.000000E+000 1.200000E+004 ! ZHang (1995) C6H5+O = C5H5+CO 1.000000E+014 0.000000E+000 0.000000E+000 ! MarinOv (1998) C4H+C2H2 = C6H2+H 7.8E13 0.000000E+000 0.000000E+000 ! Li (2011) C4H2+C2H = C6H2+H 7.8E13 0 0 !Li (2011) n-C4H3+C2H2 => C6H4+H 2.500000E+014 -5.600000E-001 1.060000E+004 ! DAVIS C4H4+C2H => C6H4+H 1.200000E+013 0.000000E+000 0.000000E+000 ! DAVIS C6H3+H = C6H4 3.400000E+043 -9.010000E+000 1.212000E+004 ! DAVIS C6H+H2 = C6H2+H 4.9E5 2.5 560 ! Li (2011) C6H2+H = C6H3 2.740000E+056 -1.258500E+001 2.969000E+004 !Val C6H3+H = C4H2+C2H2 2.800000E+023 -2.550000E+000 1.078000E+004 ! Davis (1999) C6H3+H = C6H2+H2 3.000000E+013 0.000000E+000 0.000000E+000 !Li (2011) C6H3+OH = C6H2+H2O 4.000000E+012 0.000000E+000 0.000000E+000 ! Davis (1999) C6H3+O2 => CO+C3H2+HCCO 5.000000E+011 0.000000E+000 0.000000E+000 ! Davis (1999) C6H4+H = C6H3+H2 1.500000E+014 0.000000E+000 1.020500E+004 !ZHang (1995) C6H4+OH = C6H3+H2O 3.100000E+006 2.000000E+000 4.300000E+002 ! DAVIS C3H2+C3H3 = C6H4+H 1.000000E+013 0.000000E+000 0.000000E+000 ! Rasmussen (2003) FULVENE = C6H6 7.59E13 0 73853 !Richter (2002) FULVENE+H = C6H6+H 3.000000E+012 5.000000E-001 2.000000E+003 ! MarinOv (1998) C2H2+n-C4H5 = C6H6+H 2.800000E+003 2.900000E+000 1.400000E+003 ! Miller (1992) C6H6+H = C6H5+H2 6.020000E+008 1.810000E+000 1.640000E+004 ! Val C6H6+C2H => C6H5+C2H2 2.000000E+013 0.000000E+000 0.000000E+000 ! Bastin (1989) C6H5+C2H2 => C6H6+C2H 4.040000E+012 0.000000E+000 2.124200E+004 ! Bastin (1989) C6H6+CH3 => C6H5+CH4 2.000000E+013 0.000000E+000 1.600000E+004 ! COlket (1994) C6H5+CH4 => C6H6+CH3 1.260000E+013 0.000000E+000 1.150000E+004 ! COlket (1994) C6H6+O2 = C6H5+HO2 6.300000E+013 0.000000E+000 6.000000E+004 ! MarinOv (1998) C6H6+OH = C6H5+H2O 2.386100E+004 2.680000E+000 7.730000E+002 !Val C6H6+OH = C6H6O+H 1.300000E+013 0.000000E+000 1.060000E+004 ! Davis (1999) C6H6+O = C6H5O+H 6.660000E+012 0.000000E+000 2.332000E+003 !Val C6H5+OH = C6H5O+H 1.000000E+013 0.000000E+000 0.000000E+000 !Val C6H5O+H = CO+C5H6 3.000000E+013 0.000000E+000 0.000000E+000 ! Davis (1999) C6H5+O2 = C6H5O+O 2.600000E+013 0.000000E+000 6.120000E+003 !Rasmussen (2003) DUPLICATE C6H5+O2 = C6H5O+O 3.000000E+013 0.000000E+000 8.991000E+003 !Rasmussen (2003) DUPLICATE C6H5O = CO+C5H5 2.510000E+011 0.000000E+000 4.390000E+004 !Val C6H6O+M = C6H5O+H+M 1.010000E+071 -1.592000E+001 1.247800E+005 ! (XU AND LIN 2006) C6H6O+OH = C6H5O+H2O 6.000000E+012 0.000000E+000 0.000000E+000 !Val C6H6O+CH3 = C6H5O+CH4 1.810000E+011 0.000000E+000 7.716000E+003 ! MarinOv (1998) C6H6O+H = C6H5O+H2 1.150000E+014 0.000000E+000 1.240000E+004 !MarinOv (1998) C6H6O+O = C6H5O+OH 2.810000E+013 0.000000E+000 7.352000E+003 ! MarinOv (1998) PHCH2+C3H3 = C10H8+H+H 1.000000E+013 0.000000E+000 0.000000E+000 ! D'Anna 2006) C7H8+H = C6H6+CH3 2.400000E+013 0.000000E+000 5.123000E+003 !Dagaut (2002) C6H5+C2H4 = C8H8+H 2.510000E+012 0.000000E+000 6.200000E+003 !Richter C6H5+C2H3 = C8H8 1.750000E+049 -1.031400E+001 2.427000E+004 !Richter C6H5+C2H2 = C8H6+H 8.320000E+022 -2.680000E+000 1.740000E+004 !Val C6H6+C2H3 = C8H8+H 7.900000E+011 0.000000E+000 6.400000E+003 ! Wang (1997) C8H8+H = C8H7+H2 5.070000E+007 1.930000E+000 1.295100E+004 !Richter C8H8+OH = C8H7+H2O 2.020000E+013 0.000000E+000 5.955000E+003 !Richter C8H7+OH = C8H6+H2O 2.000000E+013 0.000000E+000 0.000000E+000 ! MarinOv (1998) C8H7+H = C8H6+H2 1.210000E+014 0.000000E+000 0.000000E+000 !Richter C8H6+OH = C8H5+H2O 2.100000E+013 0.000000E+000 4.562000E+003 ! FrenklaCH (1987) C8H6+H = C8H5+H2 3.230000E+007 2.095000E+000 1.584200E+004 !RiCHter (2002) C6H5+C3H3 = C9H7+H 3.000000E+012 0.000000E+000 0.000000E+000 ! D'Anna (1998) C9H8+OH = C9H7+H2O 3.08E6 1.6 -36 !Li (2011) C9H8+H = C9H7+H2 2.8E13 0.000000E+000 2258 !Li (2011) C9H7+O = C8H7+CO 1.000000E+014 0.000000E+000 0.000000E+000 ! MarinOv (1996) C5H5+C5H5 = C10H8+H+H 2.000000E+012 0.000000E+000 4.000000E+003 !Miller (2000) C6H5+C4H4 = C10H8+H 3.300000E+033 -5.700000E+000 2.550000E+004 ! Appel (2000) C8H5+C2H2 = C10H7*1 4.000000E+072 -1.774000E+001 3.660000E+004 !Appel (2000) C10H7*1+O2 = C10H7O-1+O 2.390000E+021 -2.620000E+000 4.400000E+003 !Richter (2003) C10H7O-1 = C9H7+CO 7.400000E+011 0.000000E+000 4.394300E+004 !Marinov (1996) C10H8+O = C10H7O-1+H 6.660000E+012 0.000000E+000 2.332000E+003 !Val C10H7*1+C2H2 = C12H8+H 3.570000E+024 -3.176000E+000 1.486100E+004 !Richter (2003) C5H6+C2H3 => C5H5C2H3+H 7.900000E+011 0.000000E+000 6.400000E+003 ! Dias (2002) C5H5C2H3+H => C5H5C2H2+H2 4.000000E+013 0.000000E+000 0.000000E+000 ! Dias (2002) C5H5C2H2+C2H2 => C9H8+H 2.800000E+003 2.900000E+000 1.400000E+003 ! Dias (2002) DMM+M = CH3+CH3OCH2O+M 2.620000E+016 0.000000E+000 8.221000E+004 ! Daily (1999) DMM+M = CH3O+CH3OCH2+M 2.510000E+015 0.000000E+000 7.679900E+004 ! Daily (1999) DMM+OH = DMM1+H2O 9.100000E+012 0.000000E+000 9.860000E+002 ! DeMOre (1999) NIST DMM+OH = DMM2+H2O 9.100000E+012 0.000000E+000 9.860000E+002 ! DeMOre (1999) NIST DMM+H = DMM1+H2 9.700000E+013 0.000000E+000 6.210000E+003 ! Daily (1999) DMM+H = DMM2+H2 3.700000E+012 0.000000E+000 3.239000E+003 ! Daily (1999) DMM+CH3 = DMM1+CH4 2.260000E-005 5.350000E+000 5.810000E+003 ! Daily (1999) DMM+CH3 = DMM2+CH4 5.000000E+012 0.000000E+000 9.749000E+003 ! Daly (1999) CH3OCH2O = CH2O+CH3O 6.480000E+012 1.300000E-001 1.487000E+004 ! (CURRAN97) CH3OCH2O+M = CH3OCHO+H+M 7.000000E+015 0.000000E+000 2.277300E+004 ! Dagaut (2001) CH3OCH2+M = CH2O+CH3+M 2.620000E+016 0.000000E+000 8.221000E+004 ! analOgie aveC DMM+M DMM1 = CH2O+CH3OCH2 1.000000E+013 0.000000E+000 3.250000E+004 ! Dagaut (1996) A/10 DMM2 = CH3OCHO+CH3 1.000000E+013 0.000000E+000 3.250000E+004 ! Dagaut (1996) A/10 CH3OCHO+M = CH3O+HCO+M 4.380000E+016 0.000000E+000 9.891900E+004 !(C2H5OCHO71BLA/SAN) +Ea CalC.2 CH3OCHO+O2 = CH3OCO+HO2 2.000000E+014 5.000000E-001 4.220000E+004 ! (<=>CH3CHO) CH3OCHO+OH = CH3OCO+H2O 2.340000E+007 1.610000E+000 -3.500000E+001 ! FisHer (2000) CH3OCHO+H = CH3OCO+H2 6.500000E+005 2.400000E+000 4.471000E+003 ! FisHer (2000) CH3OCO+M = CH3O+CO+M 8.640000E+015 0.000000E+000 1.440000E+004 ! (CH3CO/89WILK) +Ea CalC. CH3+CO2+M = CH3OCO+M 1.500000E+011 0.000000E+000 3.673000E+004 ! FisHer (2000) +M CH3+O2 = CH3O+O 2.050000E+018 -1.570000E+000 2.922900E+004 ! Miller (1992) CH3O+H = CH3+OH 1.000000E+013 0.000000E+000 0.000000E+000 ! MarinOv (1998) CH3O+M = CH2O+H+M 1.000000E+014 0.000000E+000 2.500000E+004 ! Miller (1992) CH3O+H = CH2O+H2 2.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) = GRI (1999) CH3O+OH = CH2O+H2O 5.000000E+012 0.000000E+000 0.000000E+000 ! Davis (1999) = GRI (1999) CH3O+O = CH2O+OH 1.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) = GRI (1999) CH3O+O2 = CH2O+HO2 6.300000E+010 0.000000E+000 2.600000E+003 ! Miller (1992) CH3+CH3OH = CH3O+CH4 1.000000E+007 1.500000E+000 9.940000E+003 ! GRI (1994) = GRI (1999) CH3O+H = CH2OH+H 3.400000E+006 1.600000E+000 0.000000E+000 ! GRI (1994) CH3OH+OH = CH3O+H2O 5.300000E+003 2.650000E+000 -8.840000E+002 ! ArtiCle Lindstedt (2002) CH3OH+O = CH3O+OH 1.300000E+005 2.500000E+000 5.000000E+003 ! GRI (1994) = GRI (1999) CH3OH+H = CH3O+H2 4.000000E+012 0.000000E+000 6.101000E+003 ! Lindstedt (2002) CH3+CH3OH = CH2OH+CH4 3.000000E+007 1.500000E+000 9.940000E+003 ! GRI (1994) = GRI (1999) O+CH3OH = OH+CH2OH 3.880000E+005 2.500000E+000 3.100000E+003 ! GRI (1994) = GRI (1999) H+CH3OH = CH2OH+H2 1.440000E+013 0.000000E+000 6.095000E+003 ! ArtiCle Lindstedt (2002) OH+CH3OH = CH2OH+H2O 4.800000E+013 0.000000E+000 4.500000E+003 ! VandOOren (1981) CH2OH+H = CH3+OH 1.000000E+013 0.000000E+000 0.000000E+000 ! MarinOv (1998) CH2OH+M = CH2O+H+M 1.000000E+014 0.000000E+000 2.500000E+004 ! Miller (1992) CH2OH+H = CH2O+H2 2.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) = GRI (1999) CH2OH+OH = CH2O+H2O 1.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) CH2OH+O = CH2O+OH 1.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) = GRI (1999) CH2OH+O2 = CH2O+HO2 1.000000E+014 0.000000E+000 5.000000E+003 ! VandOOren (1981) CH3+CH3O = CH2O+CH4 1.200000E+013 0.000000E+000 0.000000E+000 ! Tsang (1986) repris de MarinOv (1999) CH3O+CH3OH = CH2OH+CH3OH 3.010000E+011 0.000000E+000 4.073000E+003 ! ArtiCle Lindstedt (2002) CH3OH+H = CH3+H2O 5.010000E+012 0.000000E+000 5.299000E+003 ! ArtiCle Lindstedt (2002) CH3OH+HO2 => CH2OH+H2O2 6.310000E+012 0.000000E+000 1.936000E+004 ! WestbrOOk (1983) CH3+CH2OH = CH2O+CH4 2.410000E+012 0.000000E+000 0.000000E+000 ! Tsang (1987) NIST CH3O+HCO = CH2O+CH2O 6.030000E+012 0.000000E+000 0.000000E+000 ! O2 CH3+HO2 => CH4+O2 3.600000E+012 0.000000E+000 0.000000E+000 CH4+O2 => CH3+HO2 5.177000E+015 -3.300000E-001 5.796000E+004 C9H7+C5H5 = A3+H+H 1.000000E+013 0.000000E+000 8.000000E+003 ! Rasmussen (2003) C8H6+C6H5 = A3+H 9.550000E+011 0.000000E+000 4.308000E+003 ! RiCHter (1999) DMM = DMM1+H 4.346000E+016 0.000000E+000 1.002000E+005 ! Daly (1999) DMM = DMM2+H 6.310000E+015 0.000000E+000 9.469800E+004 ! Daily (1999) CH3+OH(+M) = CH3OH(+M) 6.300000E+013 0.000000E+000 0.000000E+000 ! Appel (2000) LOW /2.700000E+038 -6.300000E+000 3.100000E+003/ TROE /2.105000E-001 8.350000E+001 5.398000E+003 8.370000E+003/ H2 /2.000000E+000/ H2O /6.000000E+000/ CH4 /2.000000E+000/ CO /1.500000E+000/ CO2 /2.000000E+000/ C2H6 /3.000000E+000/ DMM+O = DMM1+OH 1.860000E-003 5.300000E+000 -1.100000E+002 ! Daly (2001) CH3OCH2+O2 => CH2O+CH2O+OH 3.730000E+012 0.000000E+000 0.000000E+000 ! MariCq (1997) NIST C3H5+H => C2H3+CH3 1.990000E+014 0.000000E+000 0.000000E+000 ! Tsang (1991) CH3+HO2 = CH3O+OH 2.000000E+013 0.000000E+000 0.000000E+000 ! Miller (1992) CH3OCH2+HO2 => CH2O+CH3O+OH 1.000000E+013 0.000000E+000 0.000000E+000 ! Daly (1999) DEM+M = CH3CH2O+C2H5OCH2+M 2.510000E+015 0.000000E+000 7.679900E+004 ! Analogie Daily (1999) DMM+M=CH3O+CH3OCH2+M C2H5OH(+M) = CH3+CH2OH(+M) 5.940000E+023 -1.680000E+000 9.116300E+004 ! MarinOv 1998 lOw /2.880000E+085 -1.890000E+001 1.099140E+005/ trOe /5.000000E-001 2.000000E+002 8.900000E+002 4.600000E+003/ H2O /5.000000E+000/ H2 /2.000000E+000/ CO2 /3.000000E+000/ CO /2.000000E+000/ C2H5OH(+M) = C2H5+OH(+M) 2.95E22 -2.2 9.660E+004 ! Tsang (2004) lOw /3.80E88 -19.7 1.15E5/ trOe /2.0940 0.16539E5 1.114 0.16136E3/ C2H5OH(+M) = C2H4+H2O(+M) 4.9E9 1.4 6.5800E+004 ! Tsang (2004) lOw /2.40000E+080 -17.9 8.4800E+004/ trOe /2.1260 0.13568E5 0.96900 0.16040E3/ C2H5OH(+M) = CH3CHO+H2(+M) 7.240000E+011 9.500000E-002 9.100700E+004 ! MarinOv 1998 lOw /4.460000E+087 -1.942000E+001 1.155860E+005/ trOe /9.000000E-001 9.000000E+002 1.100000E+003 3.500000E+003/ H2O /5.000000E+000/ C2H5OH+OH = C2H4OH+H2O 6.020000E+003 2.680000E+000 -5.760000E+002 !Nico C2H5OH+OH = CH3CHOH+H2O 1.310000E+005 2.430000E+000 -1.457000E+003 !Nico C2H5OH+OH = CH3CH2O+H2O 2.810000E+002 2.970000E+000 -5.800000E+002 !Nico C2H5OH+H = C2H4OH+H2 1.880000E+003 3.200000E+000 7.150000E+003 !Nico C2H5OH+H = CH3CHOH+H2 1.790000E+005 2.530000E+000 3.420000E+003 !Nico C2H5OH+H = CH3CH2O+H2 5.550000E-023 1.060000E+001 -4.459000E+003 !Nico C2H5OH+O = C2H4OH+OH 9.410000E+007 1.700000E+000 5.459000E+003 ! MarinOv 1998 C2H5OH+O = CH3CHOH+OH 1.880000E+007 1.850000E+000 1.824000E+003 ! MarinOv 1998 C2H5OH+O = CH3CH2O+OH 1.580000E+007 2.000000E+000 4.448000E+003 ! MarinOv 1998 C2H5OH+CH3 = C2H4OH+CH4 2.190000E+002 3.180000E+000 9.622000E+003 ! MarinOv 1998 C2H5OH+CH3 = CH3CHOH+CH4 7.280000E+002 2.990000E+000 7.948000E+003 ! MarinOv 1998 C2H5OH+CH3 = CH3CH2O+CH4 1.450000E+002 2.990000E+000 7.649000E+003 ! MarinOv 1998 C2H5OH+HO2 = CH3CHOH+H2O2 8.200000E+003 2.550000E+000 1.075000E+004 ! MarinOv 1998 C2H5OH+HO2 = CH3CH2O+H2O2 2.500000E+012 0.000000E+000 2.400000E+004 ! MarinOv 1998 CH3CH2O = CH3CHO+H 5.430000E+015 -6.900000E-001 2.223000E+004 !Curran NIST CH3CH2O = CH3+CH2O 1.320000E+020 -2.020000E+000 2.075000E+004 !Curran (2006) CH3CH2O+O2 = CH3CHO+HO2 4.000000E+010 0.000000E+000 1.100000E+003 ! Hartmann 1990 CH3CH2O+CO = C2H5+CO2 4.680000E+002 3.160000E+000 5.380000E+003 ! MarinOv 1998 CH3CH2O+H = CH3+CH2OH 3.000000E+013 0.000000E+000 0.000000E+000 ! MarinOv 1998 CH3CH2O+H = C2H4+H2O 3.000000E+013 0.000000E+000 0.000000E+000 ! MarinOv 1998 CH3CH2O+OH = CH3CHO+H2O 1.000000E+013 0.000000E+000 0.000000E+000 ! MarinOv 1998 CH3CHOH+O2 = CH3CHO+HO2 1.000000E+013 0.000000E+000 5.569000E+003 !Nico CH3CHOH+CH3 = C3H6+H2O 1.000000E+013 0.000000E+000 0.000000E+000 ! MarinOv 1998 CH3CHOH+O = CH3CHO+OH 1.000000E+014 0.000000E+000 0.000000E+000 ! MarinOv 1998 CH3CHOH+H = C2H4+H2O 3.000000E+013 0.000000E+000 0.000000E+000 ! MarinOv 1998 CH3CHOH+H = CH3+CH2OH 3.000000E+013 0.000000E+000 0.000000E+000 ! MarinOv 1998 CH3CHOH+HO2 = CH3CHO+OH+OH 4.000000E+013 0.000000E+000 0.000000E+000 ! MarinOv 1998 CH3CHOH+OH = CH3CHO+H2O 5.000000E+012 0.000000E+000 0.000000E+000 ! MarinOv 1998 CH3CHOH+M = CH3CHO+H+M 1.000000E+014 0.000000E+000 2.500000E+004 ! MarinOv 1998 CH3CHO+OH = CH2CHO+H2O 3.370000E+011 0.000000E+000 -6.200000E+002 !San Diego CH3CHO+O = CH2CHO+OH 3.720000E+013 -2.000000E-001 3.556000E+003 ! MarinOv 1998 CH3CHO+H = CH2CHO+H2 1.850000E+012 4.000000E-001 5.359000E+003 ! MarinOv 1998 CH3CHO+CH3 = CH2CHO+CH4 2.450000E+001 3.150000E+000 5.727000E+003 ! MarinOv 1998 C2H5OCH2O+M = CH2O+CH3CH2O+M 9.722000E+015 -1.100000E+000 2.064000E+004 ! analogie avec CH3OCH2O=CH3O+CH2O Zhao (2007) DEM+OH = CH3CH2OCHOCH2CH3+H2O 9.100000E+012 0.000000E+000 9.860000E+002 ! analogie DMM+OH=DMM2+H2O Daily (1999) DEM+OH = CH3CHOCH2OCH2CH3+H2O 8.001000E+006 1.776000E+000 -1.541000E+003 ! Dagaut (1992) analogie C2H5OH DEM+OH = CH2CH2OCH2OCH2CH3+H2O 9.100000E+012 0.000000E+000 9.860000E+002 ! Analogie DMM+OH=DMM1+H2 DEM+H = CH3CH2OCHOCH2CH3+H2 3.700000E+012 0.000000E+000 3.239000E+003 ! analogie DMM+H=DMM2+H2 Daily (1999) DEM+H = CH3CHOCH2OCH2CH3+H2 3.500000E+012 0.000000E+000 4.570000E+003 ! Dagaut (1992) analogie C2H5OH DEM+H = CH2CH2OCH2OCH2CH3+H2 9.700000E+013 0.000000E+000 6.210000E+003 ! Daily (1999) analogie avec DMM+H=DMM1+H2 CH3CH2OCHOCH2CH3 = C2H5OCHO+C2H5 1.000000E+013 0.000000E+000 3.250000E+004 ! analogie DMM2=CH3OCHO+CH3 Daily (1999) C2H5OCHO+H = C2H5OCO+H2 6.500000E+005 2.400000E+000 4.471000E+003 ! analogie CH3OCHO+H=CH3OCO+H2 Fisher (2000) C2H5OCHO+OH = C2H5OCO+H2O 2.340000E+007 1.610000E+000 -3.500000E+001 ! analogie CH3OCHO+OH=CH3OCO+H2O Fisher (2000) C2H5OCHO+M = CH3CH2O+HCO+M 4.380000E+016 0.000000E+000 9.891900E+004 ! analogie CH3OCHO+M=CH3O+HCO+M Daily (1999) C2H5OCO+M = CH3CH2O+CO+M 8.640000E+015 0.000000E+000 1.440000E+004 ! analogie CH3OCO+M=CH3O+CO+M Daily (1999) CH3CHOCH2OCH2CH3 = C2H5OCH2+CH3CHO 1.000000E+013 0.000000E+000 3.250000E+004 ! analogie DMM1=CH2O+CH3OCH2 Daily (1999) C2H5OCH2 = C2H5+CH2O 1.270000E+014 -2.200000E-001 2.720000E+004 ! analogie CH3OCH2+M=CH3+CH2O+M Li (2004) NIST CH2CH2OCH2OCH2CH3 = C2H4+C2H5OCH2O 4.220000E+014 -3.200000E-001 3.486000E+004 ! analogie CH2CH2COOH=C2H4+HOCO Metcalfe (2007) C2H5OCH2O+M = C2H5OCHO+H+M 7.000000E+015 0.000000E+000 2.277300E+004 ! analogie CH3OCH2O+M=CH3OCHO+H+M Dagaut (2001) DEM+CH3 = CH3CH2OCHOCH2CH3+CH4 5.000000E+012 0.000000E+000 9.749000E+003 ! analogie DMM+CH3=DMM2+CH4 Daily (1999) DEM+CH3 = CH3CHOCH2OCH2CH3+CH4 2.260000E-005 5.350000E+000 5.810000E+003 ! analogie DMM+CH3=DMM1+CH4 Daily (1999) DEM+CH3 = CH2CH2OCH2OCH2CH3+CH4 2.260000E-005 5.350000E+000 5.810000E+003 ! analogie DMM1 (daily) C2H4+OH = C2H4OH 1.000000E+026 -4.447000E+000 3.720000E+003 ! Dagaut (1992) C2H4OH+O2 => CH2O+CH2O+OH 1.810000E+012 0.000000E+000 0.000000E+000 ! Dagaut (1992) C2H4OH+HO2 => CH2O+CH2O+H2O 1.000000E+013 0.000000E+000 0.000000E+000 ! 0.0000 CH3CO+M = CH3+CO+M 2.000000E+013 0.000000E+000 1.708700E+004 ! Baulch (2005) C2H3+O2 = CH2CHO+O 1.080000E+013 -6.100000E-001 5.260000E+003 ! Marinov (1998) NIST CH2CHO = CH3+CO 1.170000E+043 -9.830000E+000 4.375600E+004 ! Gasnot (2005) H+CH2CO(+M) = CH2CHO(+M) 4.865E+11 0.422 -1755.00 !Chong (2011) LOW/ 1.012E+42 -7.63 3854.0/ TROE/ 0.465 201.0 1773.0 5333.0 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ CH2CHO+O2 = CH2CO+HO2 1.580000E+010 0.000000E+000 0.000000E+000 ! Gasnot (2005) CH2CHO+O2 = CH2O+CO+OH 2.510000E+010 0.000000E+000 0.000000E+000 ! Gasnot (2005) CH2CHO+O = CH2O+HCO 3.980000E+013 0.000000E+000 0.000000E+000 ! Gasnot (2005) CH2CHO+OH = CH2CO+H2O 2.000000E+013 0.000000E+000 0.000000E+000 ! Gasnot (2005) CH2CHO+HO2 = CH2O+HCO+OH 1.100000E+013 0.000000E+000 0.000000E+000 ! Gasnot (2005) C2H5OCH2O+H = C2H5OCHO+H2 2.000000E+013 0.000000E+000 0.000000E+000 ! Daly (1999) par analogie avec CH3OCH2O C2H5OCH2O+OH = C2H5OCHO+H2O 1.000000E+013 0.000000E+000 0.000000E+000 ! Daly (1999) par analogie avec CH3OCH2O DEM+M = C2H5+C2H5OCH2O+M 2.620000E+016 0.000000E+000 8.221000E+004 ! Herzler (1997) C2H5+CH3 = C3H8 3.370000E+013 0.000000E+000 0.000000E+000 ! Lucida Sans Unicode n-C4H3+C2H2 = C6H5 2.800000E+003 2.900000E+000 1.385000E+003 !Miller (1992) C6H5O+O = C5H5+CO2 1.000000E+013 0.000000E+000 0.000000E+000 ! Alzueta (2000) C6H5+OH = c-C6H4+H2O 1.000000E+007 2.000000E+000 1.000000E+003 ! Pope (2000) C6H5 = c-C6H4+H 7.340000E+046 -9.160000E+000 9.500000E+004 ! Madden (1997) n-C4H3+C2H2 = c-C6H4+H 8.290000E+035 -6.910000E+000 2.460000E+004 ! Madden (1997) C6H5 = C6H4+H 6.340000E+022 -7.720000E+000 9.220000E+004 ! Madden (1997) NIST C5H5+H = C5H6 2.710000E+063 -1.479000E+001 2.105000E+004 ! [Zhong and Bozzelli 1998, QRRK-HR] C7H8 = PHCH2+H 2.5E14 0.000000E+000 77800 !Val(2011) C7H8+H = PHCH2+H2 1.200000E+014 0.000000E+000 8.235000E+003 !Val C7H8+OH = PHCH2+H2O 1.000000E+013 0.000000E+000 2.180000E+003 !Dagaut (2002) C7H8+O = PHCH2+OH 6.300000E+011 0.000000E+000 0.000000E+000 ! Val PHCH2+C3H3 = C7H8+C3H2 1.000000E+012 0.000000E+000 0.000000E+000 ! Val PHCH2 = C4H4+C3H3 2.000000E+014 0.000000E+000 8.360000E+004 !Dagaut (2002) PHCH2 = C5H5+C2H2 6.030000E+013 0.000000E+000 7.000000E+004 ! Dagaut (toluene) C7H8 = C6H5+CH3 1.400000E+016 0.000000E+000 9.980000E+004 !Dagaut (2002) C8H5+C6H6 = A3+H 9.550000E+011 0.000000E+000 4.308000E+003 ! Richter C8H6+CH3 = C8H5+CH4 1.670000E+012 0.000000E+000 1.505700E+004 ! Richter n-C4H3+C4H2 = C8H5 3.330000E+024 -3.890000E+000 9.210000E+003 ! Richter CH2O+HO2 = HCO+H2O2 3.010000E+012 0.000000E+000 1.307600E+004 ! Baulch (1992) CH2O+O2 = HO2+HCO 1.000000E+014 0.000000E+000 4.000000E+004 ! GRI-Mech 3.0 CH2O+M = CO+H2+M 2.500000E+014 0.000000E+000 2.821500E+004 !Vando H2O2+H = OH+H2O 2.410000E+013 0.000000E+000 3.974000E+003 !Tsang (1986) H2O2+O = OH+HO2 9.550000E+006 2.000000E+000 3.970000E+003 !Keromnes (2013) HCO+HO2 = CO2+OH+H 3.000000E+013 0.000000E+000 0.000000E+000 !Dagaut (hexanol) H+HO2 = H2O+O 3.010000E+013 0.000000E+000 1.721000E+003 !Dagaut (hexanol) CH2CHO+OH = CH2OH+HCO 3.010000E+013 0.000000E+000 0.000000E+000 !Nico CH3CHO+H = CH3CO+H2 1.200000E+014 0.000000E+000 7.000000E+003 !nico CH3CHO+HO2 = CH3CO+H2O2 3.000000E+012 0.000000E+000 1.190000E+004 !nico CH3CHO+HO2 = CH2CHO+H2O2 1.000000E+012 0.000000E+000 1.400000E+004 !nico CH2CHO+H = CH3+HCO 2.200000E+013 0.000000E+000 0.000000E+000 !nico CH2CHO+H = CH2CO+H2 1.100000E+013 0.000000E+000 0.000000E+000 !nico CH2CHO+CH3 = C2H5+CO+H 4.900000E+014 -5.000000E-001 0.000000E+000 !nico CH2CHO+HO2 = CH3CHO+O2 3.000000E+012 0.000000E+000 0.000000E+000 !nico CH2CO+O = CO2+CH2 1.750000E+012 0.000000E+000 1.350000E+003 !nico CH2CO+O = HCCO+OH 1.000000E+013 0.000000E+000 8.000000E+003 !nico CH+CH2O = CH2CO+H 9.460000E+013 0.000000E+000 -5.150000E+002 !nico CH+CO(+M) = HCCO(+M) 5.000000E+013 0.000000E+000 0.000000E+000 ! 18 GRI H2 /2.000000E+000/ H2O /6.000000E+000/ CH4 /2.000000E+000/ CO /1.500000E+000/ CO2 /2.000000E+000/ C2H6 /3.000000E+000/ Ar /7.000000E-001/ LOW /2.690000E+028 -3.740000E+000 1.936000E+003/ TROE /5.757000E-001 2.370000E+002 1.652000E+003 5.069000E+003/ HCCO+CH2 = C2H3+CO 3.000000E+013 0.000000E+000 0.000000E+000 !nico HCOOH+M = CO+H2O+M 2.090000E+014 0.000000E+000 4.040000E+004 HCOOH+M = CO2+H2+M 1.350000E+015 0.000000E+000 6.060000E+004 HCOOH+OH = CO+H2O+OH 1.850000E+007 1.500000E+000 -9.620000E+002 HCOOH+H = CO2+H2+H 4.240000E+006 2.100000E+000 4.868000E+003 HCOOH+H = CO+H2+OH 6.060000E+013 -3.500000E-001 2.988000E+003 HCOOH+CH3 = CH4+CO+OH 3.900000E-007 5.800000E+000 2.200000E+003 HCOOH+O = CO+OH+OH 1.770000E+018 -1.900000E+000 2.975000E+003 CH3COOH = CH4+CO2 7.080000E+013 0.000000E+000 7.460000E+004 ! battin leClerC CH3COOH = CH2CO+H2O 4.470000E+014 0.000000E+000 7.980000E+004 ! Battin leClerC CH3CO2+M = CH3+CO2+M 8.700000E+015 0.000000E+000 1.440000E+004 ! battin-LeClerC CH3COOH+H = CH2COOH+H2 6.660000E+005 2.540000E+000 6.754000E+003 !par analogie avec C2H5COOH Metcalfe (2008) CH3COOH+O = CH2COOH+OH 9.810000E+005 2.430000E+000 4.750000E+003 !Analogie avec C2H5COOH Metcalfe (2008) CH3COOH+OH = CH2COOH+H2O 5.280000E+009 9.700000E-001 1.586000E+003 !Analogie avec C2H5COOH Metcalfe (2008) CH3COOH+HO2 = CH2COOH+H2O2 5.610000E+012 0.000000E+000 1.942600E+004 ! GasnOt CH2COOH = CH2CO+OH 4.000000E+013 0.000000E+000 2.907500E+004 !GasnOt Ea/2 CH3COOH+OH = CH3CO2+H2O 2.810000E+002 2.970000E+000 -5.800000E+002 !Analogie C2H5OH CH3COOH+H = CH3CO2+H2 1.500000E+007 1.600000E+000 3.038000E+003 !analOgie C2H5OH+H (Marinov) CH3COOH+O = CH3CO2+OH 1.580000E+007 2.000000E+000 4.448000E+003 !analOgie C2H5OH+O CH3COOH+CH3 = CH3CO2+CH4 1.450000E+002 2.990000E+000 7.649000E+003 !analOgie C2H5OH CH3COOH+HO2 = CH3CO2+H2O2 2.500000E+012 0.000000E+000 2.400000E+004 ! analOgie O2+CH2 = CH2O+O 6.000000E+012 0.000000E+000 0.000000E+000 !Franck (1986) C2H5CHO = C2H5+HCO 2.450000E+015 0.000000E+000 7.286450E+004 !Akih (2011) H+C2H5CHO = H2+C2H5CO 1.200000E+014 0.000000E+000 7.000000E+003 !Dayma (2012) O+C2H5CHO = OH+C2H5CO 5.850000E+012 0.000000E+000 1.808000E+003 !Dayma (2012) HO2+C2H5CHO = H2O2+C2H5CO 2.800000E+012 0.000000E+000 1.360000E+004 !Pichon (2007) C2H5CO+M = C2H5+CO+M 8.640000E+015 0.000000E+000 1.440000E+004 !Dayma (2012) CH3CO+CH3CHO = CH3COCH3+HCO 1.710000E+011 0.000000E+000 0.000000E+000 !Gasnot (2005) CH3COCH3+H = CH3COCH2+H2 1.440000E+009 1.500000E+000 7.410000E+003 !Burluka (2010) CH3COCH3+O = CH3COCH2+OH 1.000000E+013 0.000000E+000 5.950000E+003 !Gasnot (2005) CH3COCH3+OH = CH3COCH2+H2O 8.000000E+010 0.000000E+000 0.000000E+000 !Burluka (2010) DUPLICATE CH3COCH3+OH = CH3COCH2+H2O 6.080000E+008 1.410000E+000 2.560000E+003 !Burluka (2010) DUPLICATE CH3COCH3+CH3 = CH3COCH2+CH4 9.500000E+003 2.500000E+000 8.385000E+003 !Gasnot (2005) CH3COCH3(+M)<=>CH3CO+CH3(+M) 7.108E+21 -1.57 8.468E+04 !Pichon (2009) LOW / 7.0130E+89 -2.038E+01 1.0715E+05 / TROE / 8.630336E-01 9.999544E+09 4.1640E+02 3.289899E+09 / !Troe Fall-off reaction CH3COCH2+CH2O = CH3COCH3+HCO 6.310000E+011 0.000000E+000 8.500000E+003 !Gasnot (2005) CH3COCH2+CH3CHO = CH3COCH3+CH3CO 6.310000E+011 0.000000E+000 8.500000E+003 !Gasnot (2005) CH3COCH2+C2H5CHO = CH3COCH3+C2H5CO 3.160000E+011 0.000000E+000 7.593000E+003 !Gasnot (2005) CH3COCH3+CH3 => CH3+CH4+CH2CO 4.000000E+011 0.000000E+000 9.682000E+003 !Gasnot (2005) CH3COCH3+CH3 = CH3CO+C2H6 7.940000E+010 0.000000E+000 5.989000E+003 !Gasnot (2005) CH3COCH3+O = CH3CO+CH3O 5.010000E+012 0.000000E+000 1.796000E+003 !Gasnot (2005) CH3COCH2 = CH2CO+CH3 1.000000E+013 0.000000E+000 2.800000E+004 !Hidaka (2000) CH3COCH3+CH3O = CH3COCH2+CH3OH 4.340000E+011 0.000000E+000 6.460000E+003 !Pichon (2007) CH3COCH3+O2 = CH3COCH2+HO2 6.030000E+013 0.000000E+000 4.850000E+004 !Pichon (2007) CH3COCH3+HO2 = CH3COCH2+H2O2 1.700000E+013 0.000000E+000 2.046000E+004 !Pichon (2007) CH3+O2(+M) = CH3O2(+M) 1.006000E+008 1.630000E+000 0.000000E+000 !Pichon (2007) LOW /3.816000E+031 -4.890000E+000 3.432000E+003/ TROE /4.500000E-002 8.801000E+002 2.500000E+009 1.786000E+009/ CH3O2+CH2O = CH3O2H+HCO 1.990000E+012 0.000000E+000 1.167000E+004 !Pichon (2007) CH4+CH3O2 = CH3+CH3O2H 1.810000E+011 0.000000E+000 1.848000E+004 !Pichon (2007) CH3OH+CH3O2 = CH2OH+CH3O2H 1.810000E+012 0.000000E+000 1.371000E+004 !Pichon (2007) CH3O2+CH3 = CH3O+CH3O 9.000000E+012 0.000000E+000 -1.200000E+003 !Pichon (2007) CH3O2+HO2 = CH3O2H+O2 2.470000E+011 0.000000E+000 -1.570000E+003 !Pichon (2007) CH3O2+CH3O2 = CH2O+CH3OH+O2 3.110000E+014 -1.610000E+000 -1.051000E+003 !Pichon (2007) CH3O2+CH3O2 = O2+CH3O+CH3O 1.400000E+016 -1.610000E+000 1.860000E+003 !Pichon (2007) CH3O2+H = CH3O+OH 9.600000E+013 0.000000E+000 0.000000E+000 !Pichon (2007) CH3O2+O = CH3O+O2 3.600000E+013 0.000000E+000 0.000000E+000 !Pichon (2007) CH3O2+OH = CH3OH+O2 6.000000E+013 0.000000E+000 0.000000E+000 !Pichon (2007) H2+CH3O2 = H+CH3O2H 1.500000E+014 0.000000E+000 2.603000E+004 !Pichon (2007) CH3O2+CH3CHO = CH3O2H+CH3CO 3.010000E+012 0.000000E+000 1.193000E+004 !Pichon (2007) CH3COCH3+CH3O2 = CH3COCH2+CH3O2H 1.700000E+013 0.000000E+000 2.046000E+004 !Pichon (2007) OH+C2H5CHO = H2O+C2H5CO 2.650000E+012 0.000000E+000 -7.300000E+002 !Dayma (2012) C2H5CHO+CH3 = C2H5CO+CH4 2.608000E+006 1.780000E+000 5.911000E+003 !Pichon (2007) C2H5CHO+O2 = C2H5CO+HO2 2.000000E+013 5.000000E-001 4.220000E+004 !Dayma (2012) C2H5CHO+H = CH3CHCHO+H2 1.300000E+006 2.400000E+000 4.471000E+003 !Dayma (2012) C2H5CHO+O = CH3CHCHO+OH 4.770000E+004 2.710000E+000 2.106000E+003 !Dayma (2012) C2H5CHO+OH = CH3CHCHO+H2O 4.680000E+007 1.610000E+000 -3.500000E+001 !Dayma (2012) C2H5CHO+CH3 = CH3CHCHO+CH4 9.993200E+010 0.000000E+000 8.323276E+003 !1981PET/ACS235 for rxn w c2h5 C2H5CHO+HO2 = CH3CHCHO+H2O2 1.000000E+012 0.000000E+000 1.200000E+004 !estimate based on 2 CH3CHO values C2H5CHO+CH3O = CH3CHCHO+CH3OH 1.017380E+011 0.000000E+000 2.979083E+003 !1986TSA/HAM1087 C2H5CHO+H = CH2CH2CHO+H2 9.500000E+004 2.750000E+000 6.280000E+003 !Dayma (2012) C2H5CHO+O = CH2CH2CHO+OH 9.500000E+004 2.680000E+000 3.716000E+003 !Dayma (2012) C2H5CHO+OH = CH2CH2CHO+H2O 5.250000E+009 9.700000E-001 1.590000E+003 !Dayma (2012) C2H5CHO+CH3 = CH2CH2CHO+CH4 1.258180E+011 0.000000E+000 1.273337E+004 !1981PET/ACS235 for rxn w c2h5 C2H5CHO+HO2 = CH2CH2CHO+H2O2 9.993200E+011 0.000000E+000 1.399476E+004 !2008YAS/KUB73-102, for CH3CHO C2H5CHO+CH3O = CH2CH2CHO+CH3OH 2.408000E+011 0.000000E+000 7.090552E+003 !1986TSA/HAM1087 CH3CHCHO = CH2CHCHO+H 4.164000E+012 -2.000000E-002 3.421000E+004 !Dayma (2012) CH2CH2CHO = C2H4+HCO 1.260000E+013 0.000000E+000 3.034030E+004 !1985TSA2872-2880, from n-c3h7 to ch3+c2h4 CH2CH2CHO = CH2CHCHO+H 1.670000E+013 0.000000E+000 4.622200E+004 !this study, cbs-qb3 @298k, change after calc! CH2CH2CHO = CH3CHCHO 2.000000E+012 0.000000E+000 3.679060E+004 !1988GIE/GAW435, s to p H shift butyl, CH3CHCO = CH3+HCCO 1.170000E+016 0.000000E+000 8.576510E+004 !1968CHA/SHA4672-4675, for propene CH3CHCO = C2H4+CO 3.000000E+014 0.000000E+000 7.095330E+004 ! 1984WAR197C, same as ch2co =ch2+co CH2CHCHO = C2H3+HCO 2.450000E+016 0.000000E+000 8.412800E+004 !1968CHA/SHA4672-4675, for propene CH3CHCO+H = C2H5+CO 4.400000E+012 0.000000E+000 1.459000E+003 !Dayma (2012) C2H5CHO+M = CH3CHCHO+H+M 5.000000E+015 0.000000E+000 9.499000E+004 !Dayma (2012) C2H5CHO+M = CH2CH2CHO+H+M 8.000000E+015 0.000000E+000 9.800000E+004 !Dayma (2012) C2H5CHO = CH3+CH2CHO 7.000000E+015 0.000000E+000 8.170300E+004 !Dayma (2012) C2H5CHO = C2H4+CH2O 5.130000E+013 0.000000E+000 6.306300E+004 !Dayma (2012) C2H5CHO+M = C2H5CO+H+M 8.000000E+015 0.000000E+000 8.767600E+004 !Dayma (2012) C2H5CHO+O2 = CH3CHCHO+HO2 4.000000E+013 0.000000E+000 4.769000E+004 !Dayma (2012) C2H5CHO+O2 = CH2CH2CHO+HO2 4.000000E+013 0.000000E+000 5.087000E+004 !Dayma (2012) C2H5CO = CH2CO+CH3 2.745000E+009 1.410000E+000 3.583000E+004 !Dayma (2012) CH3CHCHO = CH3CHCO+H 1.345000E+013 -1.700000E-001 3.346000E+004 !Dayma (2012) CH3CHCHO+HO2 = CH3CHOCHO+OH 9.640000E+012 0.000000E+000 0.000000E+000 !Dayma (2012) CH3CHOCHO = CH3CHO+HCO 3.980000E+013 0.000000E+000 9.700000E+003 !Dayma (2012) CH3CHCO+OH = C2H5+CO2 1.730000E+012 0.000000E+000 -1.010000E+003 !Dayma (2012) CH3CHCO+OH = CH3CHOH+CO 2.000000E+012 0.000000E+000 -1.010000E+003 !Dayma (2012) CH3CHCO+O = CH3CHO+CO 3.200000E+012 0.000000E+000 -4.370000E+002 !Dayma (2012) CH2CHCHO+H = H2+CH2CHCO 4.000000E+013 0.000000E+000 4.200000E+003 !Dayma (2012) CH2CHCHO+OH = H2O+CH2CHCO 4.200000E+012 0.000000E+000 5.000000E+002 !Dayma (2012) CH2CHCHO+HO2 = H2O2+CH2CHCO 2.800000E+012 0.000000E+000 1.360000E+004 !Dayma (2012) CH2CHCHO+O = OH+CH2CHCO 5.010000E+012 0.000000E+000 1.790000E+003 !Dayma (2012) CH2CHCO+M => C2H3+CO+M 8.600000E+015 0.000000E+000 2.300000E+004 !Dayma (2012) H2O /1.625000E+001/ CH4 /1.625000E+001/ CO /1.875000E+000/ CO2 /3.750000E+000/ C2H6 /1.625000E+001/ CH2CHCO+HO2 = C2H3+CO2+OH 2.000000E+013 0.000000E+000 0.000000E+000 !Dayma (2012) C2H5+H(+M) = C2H6(+M) 5.210000E+017 -9.900000E-001 1.580000E+003 !gri LOW /1.990000E+041 -7.080000E+000 6.685000E+003/ TROE /8.422000E-001 1.250000E+002 2.219000E+003 6.882000E+003/ H2 /2.000000E+000/ H2O /6.000000E+000/ CH4 /2.000000E+000/ CO /1.500000E+000/ CO2 /2.000000E+000/ C2H6 /3.000000E+000/ Ar /7.000000E-001/ C2H4+H(+M) = C2H5(+M) 1.367000E+009 1.463000E+000 1.355000E+003 !04-mil-kli LOW /2.027000E+039 -6.642000E+000 5.769000E+003/ TROE /1 1E-15 95 2.000E+002/ H2 /2.000000E+000/ H2O /6.000000E+000/ CH4 /2.000000E+000/ CO /1.500000E+000/ CO2 /2.000000E+000/ C2H6 /3.000000E+000/ Ar /7.000000E-001/ C3H3+C3H3 = C6H6 3.000000E+012 0.000000E+000 0.000000E+000 !Richter (1999) C6H6+O = C6H5+OH 6.000000E+013 0.000000E+000 1.106400E+004 !Val C6H6+HO2 = C6H5+H2O2 1.520000E+011 0.000000E+000 1.700000E+004 !Val i-C4H3+C2H3 = C6H5+H 6.000000E+012 0.000000E+000 0.000000E+000 !Val C4H2+C2H = C6H3 3.760000E+013 -1.472200E+001 2.725000E+004 !Val C3H2+C3H2 = C6H2+H2 7E11 0.000000E+000 0 !Li (2011) C7H8+OH = C6H6O+CH3 7.820000E+002 2.884000E+000 3.221000E+003 !Val C7H8+O2 = PHCH2+HO2 3.000000E+014 0.000000E+000 4.306200E+004 !Dagaut (2002) C7H8+CH3 = PHCH2+CH4 8.880000E+010 0.000000E+000 8.754000E+003 !Dagaut (2002) CH2+PHCH2 = C8H8+H 4.000000E+013 0.000000E+000 0.000000E+000 !Val CH2(S)+PHCH2 = C8H8+H 1.800000E+013 0.000000E+000 0.000000E+000 !Val n-C4H5+C4H4 = C8H8+H 3.160000E+011 0.000000E+000 6.000000E+002 !Val C4H4+C4H4 = C8H8 1.480000E+014 0.000000E+000 3.796000E+004 !Val C9H8+O = C9H7+OH 4.77E4 2.7 2105 !LI (2011) C6H5+C6H5 = C12H10 3.800000E+031 -5.750000E+000 7.950000E+003 !Rasmussen (2003) C6H5+C6H6 = C12H10+H 5.600000E+012 -7.400000E-002 7.550000E+003 !Rasmussen (2003) C12H10+H = C12H9+H2 2.500000E+014 0.000000E+000 1.600000E+004 !Rasmussen (2003) C12H10+OH = C12H9+H2O 1.600000E+008 1.420000E+000 1.450000E+003 !Rasmussen (2003) C10H8+H = C10H7*1+H2 2.280000E+008 1.870000E+000 1.709700E+004 !Val C10H8+H = C10H7*2+H2 2.650000E+008 1.870000E+000 1.709700E+004 !Val C10H8+OH = C10H7*1+H2O 9.660000E+002 3.016000E+000 4.374000E+003 !Val C10H8+OH = C10H7*2+H2O 8.310000E+002 3.016000E+000 4.374000E+003 !Val C10H8+O = C10H7O-2+H 6.660000E+012 0.000000E+000 2.332000E+003 !Val C10H8+O = C10H7*1+OH 6.130000E+000 0.000000E+000 1.106400E+004 !Val C10H8+O = C10H7*2+OH 6.130000E+000 0.000000E+000 1.106400E+004 !Val C10H8+CH3 = C10H7*1+CH4 2.000000E+012 0.000000E+000 1.506000E+004 !Val C10H8+CH3 = C10H7*2+CH4 1.860000E+013 0.000000E+000 1.938000E+004 !Val C10H7*2+O2 = C10H7O-2+O 2.390000E+021 -2.620000E+000 4.400000E+003 !Richter (2003) C10H7*1+OH = C10H7O-1+H 5.000000E+013 0.000000E+000 0.000000E+000 !Val C10H7*2+OH = C10H7O-2+H 5.000000E+013 0.000000E+000 0.000000E+000 !Val C10H7O-2 = C9H7+CO 7.400000E+011 0.000000E+000 4.394300E+004 !Marinov (1999) A2CH3-1 = C10H7*1+CH3 5.000000E+016 0.000000E+000 9.800000E+004 !Val A2CH3-1 = A2CH2-1+H 2.500000E+014 0.000000E+000 7.780000E+004 !Val A2CH3-1+H = C10H8+CH3 5.780000E+013 0.000000E+000 8.090000E+003 !Val A2CH3-1+H = A2CH2-1+H2 1.300000E+014 0.000000E+000 8.373000E+003 !Val A2CH3-1+OH = A2CH2-1+H2O 1.810000E+005 2.390000E+000 -6.000000E+002 !Val A2CH3-1+O = A2CH2-1+OH 6.300000E+011 0.000000E+000 0.000000E+000 !Val A2CH3-2 = C10H7*2+CH3 5.000000E+016 0.000000E+000 9.800000E+004 !Val A2CH3-2 = A2CH2-2+H 2.500000E+014 0.000000E+000 7.780000E+004 !Val A2CH3-2+H = C10H8+CH3 5.780000E+013 0.000000E+000 8.090000E+003 !Val A2CH3-2+H = A2CH2-2+H2 1.300000E+014 0.000000E+000 8.373000E+003 !Val A2CH3-2+OH = A2CH2-2+H2O 1.000000E+013 0.000000E+000 2.180000E+003 !Val A2CH3-2+O = A2CH2-2+OH 6.300000E+011 0.000000E+000 0.000000E+000 !Val A2CH2-1 => A2CH2-1f* 1.600000E+015 0.000000E+000 7.200000E+004 !Val A2CH2-1f* => A2CH2-1 5.500000E+012 0.000000E+000 8.700000E+003 !Val A2CH2-2 => A2CH2-2f* 1.600000E+015 0.000000E+000 7.200000E+004 !Val A2CH2-2f* => A2CH2-2 5.500000E+012 0.000000E+000 8.700000E+003 !Val A2CH2-1f* => A2CH2-1f+H 2.528000E+016 0.000000E+000 3.380000E+004 !Val A2CH2-1f+H => A2CH2-1f* 8.820000E+008 1.200000E+000 -2.018000E+003 !Val A2CH2-2f* => A2CH2-2f+H 2.528000E+016 0.000000E+000 3.380000E+004 !Val A2CH2-2f+H => A2CH2-2f* 8.820000E+008 1.200000E+000 -2.018000E+003 !Val C5H5+O = n-C4H5+CO 1.000000E+014 0.000000E+000 0.000000E+000 !Davis (1999) C9H8 = C9H7+H 0.68E68 -15.2 116372 !Li (2011) C8H5+H = C8H6 8.020000E+019 -2.011000E+000 1.968000E+003 !Richter C6H5+C2H = C8H6 2.540000E+017 -1.489000E+000 1.541000E+003 !Richter C6H5+C4H4 = C8H6+C2H3 3.200000E+011 0.000000E+000 1.350000E+003 !Richter n-C4H5+C4H2 = C8H6+H 3.160000E+011 0.000000E+000 1.800000E+003 !Richter C8H7 = C8H6+H 2.740000E+022 -4.061000E+000 3.704000E+004 !Richter C8H7+H = C8H8 4.800000E+010 -7.400000E-001 -7.630000E+003 !Richter C6H5+C4H4 = C8H8+C2H 3.200000E+011 0.000000E+000 1.900000E+003 !Richter C6H5+C4H6 = C8H8+C2H3 3.200000E+011 0.000000E+000 1.900000E+003 !Richter C8H8 = C6H6+C2H2 1.580000E+011 0.000000E+000 5.844000E+004 !Richter C6H5+H(+M) = C6H6(+M) 1.000000E+014 0.000000E+000 0.000000E+000 !Davis (1999) LOW /6.600000E+075 -1.630000E+001 7.000000E+003/ TROE /1.000000E+000 1.000000E-001 5.849000E+002 6.113000E+003/ H2 /2.000000E+000/ H2O /6.000000E+000/ CH4 /2.000000E+000/ CO /1.500000E+000/ CO2 /2.000000E+000/ C2H6 /3.000000E+000/ C12H9+C2H2 = A3+H 4.600000E+006 1.970000E+000 7.300000E+003 !Rasmussen (2003) C6H5+C6H6 = C12H11 8.100000E+036 -8.820000E+000 9.125000E+003 !Rasmussen (2003) C12H11 = C12H10+H 6.100000E+042 -1.009000E+001 2.746000E+004 !Rasmussen (2003) C6H5+C6H5 = C12H9+H 7.000000E+023 -2.330000E+000 3.854000E+004 !Rasmussen (2003) C12H10 = C12H9+H 9.000000E+037 -6.630000E+000 1.195800E+005 !Rasmussen (2003) C10H7*1+H = C10H8 8.020000E+019 -2.011000E+000 1.968000E+003 !Richter (2002) C10H7*2+H = C10H8 8.020000E+019 -2.011000E+000 1.968000E+003 !Richter (2002) C10H7*2+C4H4 = A3+H 9.900000E+030 -5.070000E+000 2.110000E+004 !Rasmussen (2003) C10H7*1+C4H4 = A3+H 9.900000E+030 -5.070000E+000 2.110000E+004 !Rasmussen (2003) C5H5+H = C5H4+H2 3.230000E+007 2.095000E+000 1.584200E+004 !Richter (2002) C5H5+OH = C5H4+H2O 2.110000E+013 0.000000E+000 4.571000E+003 !Richter (2002) C5H5+O = C5H4+OH 2.000000E+013 0.000000E+000 1.469400E+004 !Richter (2002) C5H5+CH3 = C5H4+CH4 2.000000E+012 0.000000E+000 1.506000E+004 !Richter (2002) C5H4H+H = C5H4+H2 2.800000E+013 0.000000E+000 2.259000E+003 !Richter (2002) C5H4H+OH = C5H4+H2O 3.080000E+006 2.000000E+000 0.000000E+000 !Richter (2002) C5H4H+O = C5H4+OH 4.770000E+004 2.710000E+000 1.106000E+003 !Richter (2002) C5H5 = C5H4H 5.170000E+080 -2.040000E+001 9.618500E+004 !Richter (2002) C5H5+O = C5H4O+H 5.810000E+013 0.000000E+000 2.000000E+001 !Dagaut (2002) C5H5+OH = C5H4OH+H 9.000000E+013 0.000000E+000 0.000000E+000 !Dagaut (2002) C5H4OH = C5H4O+H 2.100000E+013 0.000000E+000 4.800000E+004 !Dagaut (2002) C5H4OH+O2 = C5H4O+HO2 3.000000E+013 0.000000E+000 5.000000E+003 !Richter (2002) C5H4O+H = n-C4H5+CO 4.3E9 1.45 3900 !Blanquart (2009) C5H4H = C3H3+C2H2 3.400000E+080 -1.920000E+001 1.022650E+005 !Richter (2002) C5H6+H = C5H4H+H2 2.800000E+013 0.000000E+000 3.513900E+004 !Richter (2002) C5H6+OH = C5H4H+H2O 3.080000E+006 2.000000E+000 3.288000E+004 !Richter (2002) C5H6+O = C5H4H+OH 4.770000E+004 2.710000E+000 3.398600E+004 !Richter (2002) C5H6+CH3 = C5H4H+CH4 1.800000E-001 4.000000E+000 3.288000E+004 !Richter (2002) C4H2+CH2 = C5H3(L)+H 1.300000E+013 0.000000E+000 0.000000E+000 !Richter (2002) C4H2+CH2(S) = C5H3(L)+H 3.000000E+013 0.000000E+000 0.000000E+000 !Richter (2002) C5H3(L)+H = C5H2(L)+H2 6.030000E+013 0.000000E+000 1.510300E+004 !Richter (2002) A3+H = A3*1+H2 3.230000E+007 2.095000E+000 1.584200E+004 ! [Mebel et al. 1997 for C6H6+H] A3+H = A3*2+H2 3.230000E+007 2.095000E+000 1.584200E+004 ! [Mebel et al. 1997 for C6H6+H] A3+H = A3*4+H2 3.230000E+007 2.095000E+000 1.584200E+004 ! [Mebel et al. 1997 for C6H6+H] A3+H = A3*9+H2 3.230000E+007 2.095000E+000 1.584200E+004 ! [Mebel et al. 1997 for C6H6+H] A3+OH = A3*1+H2O 2.110000E+013 0.000000E+000 4.571000E+003 ! [Madronich and Felder 1985, for C6H6+OH] A3+OH = A3*2+H2O 2.110000E+013 0.000000E+000 4.571000E+003 ! [Madronich and Felder 1985, for C6H6+OH] A3+OH = A3*4+H2O 2.110000E+013 0.000000E+000 4.571000E+003 ! [Madronich and Felder 1985, for C6H6+OH] A3+OH = A3*9+H2O 2.110000E+013 0.000000E+000 4.571000E+003 ! [Madronich and Felder 1985, for C6H6+OH] A3*1+H = A3 2.150000E+019 -1.550000E+000 1.700000E+003 ! [QRRK-HR, 20 torr, for A3*1+H=A3] A3*2+H = A3 2.150000E+019 -1.550000E+000 1.700000E+003 ! [QRRK-HR, 20 torr, for A3*1+H=A3] A3*4+H = A3 2.150000E+019 -1.550000E+000 1.700000E+003 ! [QRRK-HR, 20 torr, for A3*1+H=A3] A3*9+H = A3 2.150000E+019 -1.550000E+000 1.700000E+003 ! [QRRK-HR, 20 torr, for A3*1+H=A3] C10H7*2+C4H2 = A3L*2 4.670000E+006 1.787000E+000 3.262000E+003 ! [HP-limit for C10H7J1+C2H2/4] A3L+H = A3L*1+H2 3.230000E+007 2.095000E+000 1.584200E+004 ! [Mebel et al. 1997 for C6H6+H] A3L+OH = A3L*1+H2O 2.110000E+013 0.000000E+000 4.571000E+003 ! [Madronich and Felder 1985, for C6H6+OH] A3L*1+H = A3L 2.150000E+019 -1.550000E+000 1.700000E+003 ! [QRRK-HR, 20 torr, for A3J1+H=A3] A3L+H = A3L*2+H2 3.230000E+007 2.095000E+000 1.584200E+004 ! [Mebel et al. 1997 for C6H6+H] A3L+OH = A3L*2+H2O 2.110000E+013 0.000000E+000 4.571000E+003 ! [Madronich and Felder 1985, for C6H6+OH] A3L*2+H = A3L 2.150000E+019 -1.550000E+000 1.700000E+003 ! [QRRK-HR, 20 torr, for A3J1+H=A3] A3L+H = A3L*9+H2 3.230000E+007 2.095000E+000 1.584200E+004 ! [Mebel et al. 1997 for C6H6+H] A3L+OH = A3L*9+H2O 2.110000E+013 0.000000E+000 4.571000E+003 ! [Madronich and Felder 1985, for C6H6+OH] A3L*9+H = A3L 2.150000E+019 -1.550000E+000 1.700000E+003 ! [QRRK-HR, 20 torr, for A3J1+H=A3] A3L = A3 7.940000E+012 0.000000E+000 6.500000E+004 ! [Colket and Seery 1994] A3*4+C2H2 = PYRENE+H 1.870000E+007 1.787000E+000 3.262000E+003 ! [O. Mazyar, HP-limit] C8H5+C8H6 = PYRENE+H 8.510000E+011 0.000000E+000 3.986000E+003 ! [Park et al. 1999 HP-limit] PYRENE+H = PYRENE*1+H2 3.230000E+007 2.095000E+000 1.584200E+004 ! [Mebel et al. 1997] PYRENE+OH = PYRENE*1+H2O 2.100000E+013 0.000000E+000 4.600000E+003 ! [Harris et al. 1988] PYRENE+H = PYRENE*2+H2 3.230000E+007 2.095000E+000 1.584200E+004 ! [Mebel et al. 1997] PYRENE+OH = PYRENE*2+H2O 2.100000E+013 0.000000E+000 4.600000E+003 ! [Harris et al. 1988] PYRENE+H = PYRENE*4+H2 3.230000E+007 2.095000E+000 1.584200E+004 ! [Mebel et al. 1997] PYRENE+OH = PYRENE*4+H2O 2.100000E+013 0.000000E+000 4.600000E+003 ! [Harris et al. 1988] PYRENE*1+H = PYRENE 5.000000E+013 0.000000E+000 0.000000E+000 ! [estimate, p.w.] PYRENE*2+H = PYRENE 5.000000E+013 0.000000E+000 0.000000E+000 ! [estimate, p.w.] PYRENE*4+H = PYRENE 5.000000E+013 0.000000E+000 0.000000E+000 ! [estimate, p.w.] PYRENE+OH = A3*4+CH2CO 1.300000E+013 0.000000E+000 1.060000E+004 ! [Wang and Frenklach 1997] PYRENE+O = A3*4+HCCO 2.200000E+013 0.000000E+000 4.530000E+003 ! [Wang and Frenklach 1997] PYRENE*4+O2 = A3*4+2CO 2.100000E+012 0.000000E+000 7.470000E+003 ! [Wang and Frenklach 1997] C6H6+C2H = C8H6+H 1.000000E+012 0.000000E+000 0.000000E+000 !Richter (2002) C6H5+C2H2 = C8H7 8.560000E+044 -1.050000E+001 1.322000E+004 !Richter (2003) C5H4+H = C5H3+H2 1.000000E+006 2.500000E+000 5.000000E+003 ! [Alzueta et al. 1998] C5H4+OH = C5H3+H2O 1.000000E+006 2.000000E+000 0.000000E+000 ! [Alzueta et al. 1998] C5H4+O = C5H3+OH 1.000000E+006 2.500000E+000 3.000000E+003 ! [Alzueta et al. 1998] C5H3+H = C5H4 1.000000E+014 0.000000E+000 0.000000E+000 ! [Alzueta et al. 2000] C5H3+O2 = C2H2+HCCO+CO 1.000000E+012 0.000000E+000 0.000000E+000 ! [Alzueta et al. 1998] C5H2(L)+OH => C4H2+H+CO 2.000000E+013 0.000000E+000 0.000000E+000 ! Guess C5H2(L)+CH = C6H2+H 5.000000E+013 0.000000E+000 0.000000E+000 ! Guess C5H2(L)+O2 = H2C4O+CO 1.000000E+012 0.000000E+000 0.000000E+000 ! Guess C5H3(L)+OH = C5H2(L)+H2O 1.000000E+013 0.000000E+000 0.000000E+000 ! Guess C5H3(L)+CH = C6H2+H+H 5.000000E+013 0.000000E+000 0.000000E+000 ! Guess C5H3(L)+CH2 = C6H4+H 5.000000E+013 0.000000E+000 0.000000E+000 ! = C3H3+CH2 C5H3(L)+O2 = H2C4O+HCO 1.000000E+012 0.000000E+000 0.000000E+000 ! Guess C6H2+O = C5H2(L)+CO 2.700000E+013 0.000000E+000 1.720000E+003 ! = C4H2 + O C4H2+CH = C5H2(L)+H 5.000000E+013 0.000000E+000 0.000000E+000 ! Guess C5H6+O = C5H5O+H 1.330000E+013 -0.1 361 !Blanquart (2009) C10H7O-1+H = C10H7OH-1 4.430000E+060 -1.323200E+001 3.001000E+004 ! Richter (2003) C10H7OH-1+H = C10H7O-1+H2 1.150000E+014 0.000000E+000 1.240000E+004 ! Richter (2003) C10H8+OH = C10H7OH-1+H 1.590000E+019 -1.820000E+000 1.280000E+004 ! Richter (2003) C10H7OH-1+OH = C10H7O-1+H2O 1.390000E+008 1.430000E+000 -9.620000E+002 ! Richter (2003) C10H7O-2+H = C10H7OH-2 4.430000E+060 -1.323200E+001 3.001000E+004 ! Richter (2003) C10H7OH-2+H = C10H7O-2+H2 1.150000E+014 0.000000E+000 1.240000E+004 ! Richter (2003) C10H8+OH = C10H7OH-2+H 1.590000E+019 -1.820000E+000 1.280000E+004 ! Richter (2003) C10H7OH-2+OH = C10H7O-2+H2O 1.390000E+008 1.430000E+000 -9.620000E+002 ! Richter (2003) HCCO+OH = C2O+H2O 3.000000E+013 0.000000E+000 0.000000E+000 C2O+H = CH+CO 5.000000E+013 0.000000E+000 0.000000E+000 C2O+O = CO+CO 5.000000E+013 0.000000E+000 0.000000E+000 C2O+OH = CO+CO+H 2.000000E+013 0.000000E+000 0.000000E+000 C2O+O2 = CO+CO+O 2.000000E+013 0.000000E+000 0.000000E+000 H2C4O+O = CH2CO+C2O 2.000000E+007 1.900000E+000 2.000000E+002 !Appel (2000) C12H8+H = C12H8J1+H2 3.230000E+007 2.095000E+000 1.980000E+004 ! [Mebel et al. 1997, adjusted] C12H8+H = C12H8J3+H2 3.230000E+007 2.095000E+000 1.584200E+004 ! [Mebel et al. 1997] C12H8+H = C12H8J4+H2 3.230000E+007 2.095000E+000 1.584200E+004 ! [Mebel et al. 1997] C12H8+H = C12H8J5+H2 3.230000E+007 2.095000E+000 1.584200E+004 ! [Mebel et al. 1997] C12H8+OH = C12H8J1+H2O 2.100000E+013 0.000000E+000 8.600000E+003 ! [Harris et al. 1988, adjusted] C12H8+OH = C12H8J3+H2O 2.100000E+013 0.000000E+000 4.600000E+003 ! [Harris et al. 1988] C12H8+OH = C12H8J4+H2O 2.100000E+013 0.000000E+000 4.600000E+003 ! [Harris et al. 1988] C12H8+OH = C12H8J5+H2O 2.100000E+013 0.000000E+000 4.600000E+003 ! [Harris et al. 1988] C12H8J1+H = C12H8 1.240000E+033 -5.680000E+000 8.910000E+003 ! [QRRK-HR, 20 torr] C12H8J3+H = C12H8 1.150000E+032 -5.370000E+000 8.460000E+003 ! [QRRK-HR, 20 torr] C12H8J4+H = C12H8 1.150000E+032 -5.370000E+000 8.460000E+003 ! [QRRK-HR, 20 torr] C12H8J5+H = C12H8 1.150000E+032 -5.370000E+000 8.460000E+003 ! [QRRK-HR, 20 torr] N2+M = N+N+M 1.890000E+018 -8.500000E-001 2.249500E+005 !(HORI 88 ) H2O /1.625000E+001/ CO /1.875000E+000/ CO2 /3.750000E+000/ CH4 /1.625000E+001/ C2H6 /1.625000E+001/ N2+O = N+NO 1.000000E+014 0.000000E+000 7.549000E+004 !(92MIC/LIM ) N+O+M = NO+M 7.600000E+014 -1.000000E-001 -1.770000E+003 !(COHEN 91 ) H2O /1.625000E+001/ CO /1.875000E+000/ CO2 /3.750000E+000/ CH4 /1.625000E+001/ C2H6 /1.625000E+001/ N+NO2 = N2O+O 1.800000E+012 0.000000E+000 0.000000E+000 !(JPL 90 ) N+O2 = NO+O 6.400000E+009 1.000000E+000 6.280000E+003 !(MB89 ) N+OH = NO+H 3.800000E+013 0.000000E+000 0.000000E+000 !(GLARBORG94 ) NH+O2 = HNO+O 4.600000E+005 2.000000E+000 6.500000E+003 !(GLARBORG94 ) NH+O2 = NO+OH 1.300000E+006 1.500000E+000 1.000000E+002 !(GLARBORG94 ) NH+OH = HNO+H 2.000000E+013 0.000000E+000 0.000000E+000 !(MB89 ) NH+OH = N+H2O 5.000000E+011 5.000000E-001 2.000000E+003 !(MB89 ) NH+OH = NO+H2 2.000000E+013 0.000000E+000 0.000000E+000 !(90BIA/VAN ) NH+H = N+H2 3.000000E+013 0.000000E+000 0.000000E+000 !(GLARBORG94 ) NH+O = NO+H 1.840000E+014 0.000000E+000 0.000000E+000 NH+N = N2+H 3.000000E+013 0.000000E+000 0.000000E+000 !(MB89 ) NH+NH = N2+H+H 2.540000E+013 0.000000E+000 0.000000E+000 !(MB89* ) NH+NO = N2O+H 4.300000E+014 -5.000000E-001 0.000000E+000 !(90MAR/BRO ) NH+NO = N2+OH 2.200000E+013 -2.300000E-001 0.000000E+000 !(GLARBORG94 ) NH+NO2 = N2O+OH 1.000000E+013 0.000000E+000 0.000000E+000 !(GLARBORG94 ) NH2+O2 = HNO+OH 4.500000E+012 0.000000E+000 2.500000E+004 !(MB89* ) NH2+O = NH+OH 6.800000E+012 0.000000E+000 0.000000E+000 !(GLARBORG94 ) NH2+O = H2+NO 1.300000E+008 1.025000E+000 -6.270000E+002 !(BOZZELLI 89 ) NH2+O = HNO+H 6.600000E+014 -5.000000E-001 0.000000E+000 !(GLARBORG94 ) NH2+OH = NH+H2O 4.000000E+006 2.000000E+000 1.000000E+003 !(MB89 ) NH2+H = NH+H2 4.000000E+013 0.000000E+000 3.650000E+003 !(GLARBORG94 ) NH2+NO = NNH+OH 2.800000E+013 -5.500000E-001 0.000000E+000 !(GLARBORG94 ) NH2+NO = N2+H2O 5.000000E+012 0.000000E+000 0.000000E+000 !(HAHN 81 ) NH2+NO = N2O+H2 3.900000E+013 0.000000E+000 2.016000E+004 !(FIT NIST 93 ) NH2+N = N2+H+H 7.200000E+013 0.000000E+000 0.000000E+000 !(MB89* ) NH2+NH = N2H2+H 5.000000E+013 0.000000E+000 0.000000E+000 !(MB89* ) NH2+NH2 = N2H2+H2 8.500000E+011 0.000000E+000 0.000000E+000 !(GLARBORG94 ) NH2+NH2 = NH3+NH 4.000000E+013 0.000000E+000 1.000000E+004 !(DAVIDSON 90 ) NH2+HO2 = H2NO+OH 5.000000E+013 0.000000E+000 0.000000E+000 !(GLARBORG94 ) NH2+HO2 = NH3+O2 1.000000E+013 0.000000E+000 0.000000E+000 !(GLARBORG94 ) NH2+NO2 = N2O+H2O 3.200000E+018 -2.200000E+000 0.000000E+000 !(GLARBORG94 ) NH3+M = NH+H2+M 6.310000E+014 0.000000E+000 9.340000E+004 !(HANSON 84 ) H2O /1.625000E+001/ CO /1.875000E+000/ CO2 /3.750000E+000/ CH4 /1.625000E+001/ C2H6 /1.625000E+001/ NH3+M = NH2+H+M 2.510000E+016 0.000000E+000 9.380000E+004 !(HANSON 84 ) H2O /1.625000E+001/ CO /1.875000E+000/ CO2 /3.750000E+000/ CH4 /1.625000E+001/ C2H6 /1.625000E+001/ NH3+OH = NH2+H2O 2.040000E+006 2.040000E+000 5.660000E+002 !(MB89 ) NH3+H = NH2+H2 6.360000E+005 2.390000E+000 1.017100E+004 !(MB89 ) NH3+O = NH2+OH 9.400000E+006 1.940000E+000 6.460000E+003 !(GLARBORG94 ) NH3+HO2 = NH2+H2O2 3.000000E+011 0.000000E+000 2.200000E+004 !(GLARBORG94 ) NNH+M = N2+H+M 1.000000E+015 0.000000E+000 2.000000E+004 !(90MAR/BRO*5 ) H2O /1.625000E+001/ CO /1.875000E+000/ CO2 /3.750000E+000/ CH4 /1.625000E+001/ C2H6 /1.625000E+001/ NNH+NO = N2+HNO 5.000000E+013 0.000000E+000 0.000000E+000 !(MB89 ) NNH+H = N2+H2 1.000000E+014 0.000000E+000 0.000000E+000 !(MB89 ) NNH+OH = N2+H2O 5.000000E+013 0.000000E+000 0.000000E+000 !(MB89 ) NNH+NH2 = N2+NH3 5.000000E+013 0.000000E+000 0.000000E+000 !(MB89 ) NNH+NH = N2+NH2 5.000000E+013 0.000000E+000 0.000000E+000 !(MB89 ) NNH+O = N2O+H 1.000000E+014 0.000000E+000 0.000000E+000 !(MB89 ) HNO+O = NO+OH 1.000000E+013 0.000000E+000 0.000000E+000 !(GLARBORG94 ) HNO+OH = NO+H2O 3.600000E+013 0.000000E+000 0.000000E+000 !(MB89 ) HNO+H = NO+H2 4.400000E+011 7.200000E-001 6.500000E+002 !(GLARBORG94 ) HNO+NH2 = NO+NH3 2.000000E+013 0.000000E+000 1.000000E+003 !(MB89 ) HNO+N = NO+NH 1.000000E+013 0.000000E+000 1.990000E+003 !(90MAR/BRO ) HNO+NO2 = NO+HONO 6.000000E+011 0.000000E+000 2.000000E+003 !(GLARBORG94 ) HNO+O2 = NO+HO2 1.000000E+013 0.000000E+000 2.500000E+004 !(GLARBORG94 ) HNO+HNO = N2O+H2O 3.950000E+012 0.000000E+000 5.000000E+003 !(MB89* ) HNO+NO = N2O+OH 2.000000E+012 0.000000E+000 2.600000E+004 !(MB89* ) N2H2+M = NNH+H+M 1.000000E+017 0.000000E+000 5.000000E+004 !(MB89* ) H2O /1.625000E+001/ CO /1.875000E+000/ CO2 /3.750000E+000/ CH4 /1.625000E+001/ C2H6 /1.625000E+001/ N2H2+H = NNH+H2 5.000000E+013 0.000000E+000 1.000000E+003 !(MB89* ) N2H2+O = NH2+NO 1.000000E+013 0.000000E+000 1.000000E+003 !(GLARBORG94 ) N2H2+O = NNH+OH 2.000000E+013 0.000000E+000 1.000000E+003 !(MB89* ) N2H2+OH = NNH+H2O 1.000000E+013 0.000000E+000 1.000000E+003 !(MB89* ) N2H2+NO = N2O+NH2 3.000000E+012 0.000000E+000 0.000000E+000 !(GLARBORG94 ) N2H2+NH = NNH+NH2 1.000000E+013 0.000000E+000 1.000000E+003 !(MB89* ) N2H2+NH2 = NH3+NNH 1.000000E+013 0.000000E+000 1.000000E+003 !(MB89* ) NO+HO2 = NO2+OH 2.100000E+012 0.000000E+000 -4.800000E+002 !(GLARBORG94 ) NO+OH+M = HONO+M 2.000000E+012 -5.000000E-002 -7.210000E+002 !(GLARBORG94 ) H2O /1.625000E+001/ CO /1.875000E+000/ CO2 /3.750000E+000/ CH4 /1.625000E+001/ C2H6 /1.625000E+001/ NO+H+M = HNO+M 2.340000E+018 -9.000000E-001 0.000000E+000 !(62CLY/THR2 ) H2O /1.625000E+001/ CO /1.875000E+000/ CO2 /3.750000E+000/ CH4 /1.625000E+001/ C2H6 /1.625000E+001/ NO+HCO = HNO+CO 7.200000E+013 0.000000E+000 0.000000E+000 !(GLARBORG94X10 ) NO2+H2 = HONO+H 2.400000E+013 0.000000E+000 2.900000E+004 !(SLACK 78 NO2+H = NO+OH 1.000000E+014 0.000000E+000 3.620000E+002 ! 91KO/FON limit < NO2+O = NO+O2 1.000000E+013 0.000000E+000 6.000000E+002 !(GLARBORG94 ) NO2+M = NO+O+M 1.100000E+016 0.000000E+000 6.600000E+004 !(MB89 ) H2O /1.625000E+001/ CO /1.875000E+000/ CO2 /3.750000E+000/ CH4 /1.625000E+001/ C2H6 /1.625000E+001/ NO2+NO2 = NO+NO+O2 2.000000E+012 0.000000E+000 2.682500E+004 !(ZABARNIC 92 ) NO2+HO2 = HONO+O2 4.640000E+011 0.000000E+000 -4.800000E+002 !(ZABARNIC 92 ) NO2+HCO = CO+NO+OH 9.450000E+012 0.000000E+000 -4.300000E+002 !88TIMONEN;B.R./98RIM/HERSHBERGER NO2+HCO = H+CO2+NO 5.550000E+012 0.000000E+000 -4.300000E+002 !88TIMONEN;B.R./98RIM/HERSHBERGER NO2+CO = NO+CO2 2.190000E+013 0.000000E+000 2.920000E+004 !(77FRE/PAL ) NO2+NO = N2O+O2 1.000000E+012 0.000000E+000 6.000000E+004 !(ZABARNIC 92 ) N2O+OH = N2+HO2 2.000000E+012 0.000000E+000 4.000000E+004 !rutar96 N2O+H = N2+OH 2.079000E-006 5.557000E+000 1.820000E+003 !(COMB3 ) N2O+M = N2+O+M 3.000000E+014 0.000000E+000 5.550000E+004 !(MICHAEL 92 ) H2O /1.625000E+001/ CO /1.875000E+000/ CO2 /3.750000E+000/ CH4 /1.625000E+001/ C2H6 /1.625000E+001/ N2O+O = N2+O2 1.400000E+012 0.000000E+000 1.080000E+004 !(GLARBORG 94 ) N2O+O = NO+NO 2.900000E+013 0.000000E+000 2.315000E+004 !(GLARBORG94 ) N2O+N = N2+NO 1.000000E+013 0.000000E+000 1.987000E+004 !(PUBLIC ) N2O+CO = N2+CO2 2.700000E+011 0.000000E+000 2.023700E+004 !(GLARBORG94 ) C+NO = CN+O 2.000000E+013 0.000000E+000 0.000000E+000 !(Dean91 ) CH+NO = HCN+O 1.100000E+014 0.000000E+000 0.000000E+000 !(MB89 ) CH2(S)+NO = HCN+OH 2.000000E+013 0.000000E+000 0.000000E+000 !(MB89 ) CH2+NO = HCNO+H 1.300000E+012 0.000000E+000 -3.780000E+002 !pg98 CH2+NO = HCN+OH 2.200000E+012 0.000000E+000 -3.780000E+002 !pg98 CH3+NO = HCN+H2O 1.500000E-001 3.523000E+000 3.950000E+003 !pg98 CH3+NO = H2CN+OH 1.500000E-001 3.523000E+000 3.950000E+003 !pg98 HCCO+NO = HCNO+CO 3.843000E+013 0.000000E+000 4.360000E+002 !peeters HCCO+NO = HCN+CO2 2.800000E+013 0.000000E+000 1.674000E+003 !peeters HCNO+H = HCN+OH 5.700000E+012 0.000000E+000 0.000000E+000 !frk HCNO+O = NO+HCO 2.000000E+014 0.000000E+000 0.000000E+000 !jam HCNO+OH = NO+CH2O 4.000000E+013 0.000000E+000 0.000000E+000 !jam HOCN+OH = NCO+H2O 6.400000E+005 2.000000E+000 2.560000E+003 !(GLARBORG94 ) HOCN+O = NCO+OH 1.500000E+004 2.640000E+000 4.000000E+003 !(GLARBORG94 ) HOCN+H = HNCO+H 2.000000E+007 2.000000E+000 2.000000E+003 !(GLARBORG94 ) HNCO+M = NH+CO+M 1.100000E+016 0.000000E+000 8.600000E+004 ! mb91 HNCO+HO2 = NCO+H2O2 3.000000E+011 0.000000E+000 2.900000E+004 !(GLARBORG94 ) HNCO+O2 = HNO+CO2 1.000000E+012 0.000000E+000 3.500000E+004 !(GLARBORG94 ) HNCO+NH2 = NH3+NCO 5.000000E+012 0.000000E+000 6.200000E+003 !(GLARBORG94 ) HNCO+NH = NH2+NCO 3.000000E+013 0.000000E+000 2.370000E+004 !(GLARBORG94 ) HNCO+H = NH2+CO 2.200000E+007 1.700000E+000 3.800000E+003 !(MILLER92 ) HNCO+CN = NCO+HCN 2.500000E+012 0.000000E+000 0.000000E+000 !pg94 /6 HNCO+O = NCO+OH 2.200000E+006 2.110000E+000 1.143000E+004 !(GLARBORG94 ) HNCO+O = CO2+NH 9.650000E+007 1.410000E+000 8.520000E+003 !(JPCRD 92 ) HNCO+O = HNO+CO 1.500000E+008 1.570000E+000 4.401200E+004 !(GLARBORG94 ) HNCO+OH = NCO+H2O 4.200000E+005 2.000000E+000 2.560000E+003 !pg94/1.5 HCN+OH = CN+H2O 3.200000E+006 1.830000E+000 1.030000E+004 !pg94< HCN+OH = HOCN+H 5.850000E+004 2.400000E+000 1.250000E+004 !pg94 HCN+OH = HNCO+H 4.000000E-003 4.000000E+000 1.000000E+003 !pg94*2 HCN+OH = NH2+CO 7.830000E-004 4.000000E+000 4.000000E+003 !pg94 HCN+O = NCO+H 1.380000E+004 2.640000E+000 4.980000E+003 !pg94 HCN+O = NH+CO 3.450000E+003 2.640000E+000 4.980000E+003 !pg94 HCN+O = CN+OH 2.700000E+009 1.580000E+000 2.920000E+004 !pg94 CN+OH = NH+CO 6.000000E+012 0.000000E+000 0.000000E+000 !(JPCRD 92 ) CN+OH = HNCO 6.000000E+012 0.000000E+000 0.000000E+000 !(JPCRD 92 ) CN+OH = NCO+H 6.000000E+013 0.000000E+000 0.000000E+000 !(MB89 ) CN+NO = NCO+N 9.635000E+013 0.000000E+000 4.210000E+004 !(JPCRD 92 ) CN+NO = CO+N2 9.635000E+013 0.000000E+000 4.210000E+004 !(JPCRD 92 ) CN+HNO = HCN+NO 1.800000E+013 0.000000E+000 0.000000E+000 !(JPCRD 92 ) CN+HONO = HCN+NO2 1.205000E+013 0.000000E+000 0.000000E+000 !(JPCRD 92 ) CN+H2 = HCN+H 3.000000E+005 2.450000E+000 2.237000E+003 ! pg94 CN+O = CO+N 7.700000E+013 0.000000E+000 0.000000E+000 !(GLARBORG94 ) CN+O2 = NCO+O 7.500000E+012 0.000000E+000 -3.890000E+002 !pg94 CN+N = C+N2 1.040000E+015 -5.000000E-001 0.000000E+000 !(MB89 ) CN+HCN = C2N2+H 1.500000E+007 1.710000E+000 1.530000E+003 !92TSA/HER JPC 21,753 CN+NO2 = NCO+NO 2.400000E+013 0.000000E+000 -3.700000E+002 !(GLARBORG94 ) CN+N2O = NCO+N2 1.000000E+013 0.000000E+000 0.000000E+000 !MB89/ N.I.pg94 CN+N2O = NCN+NO 3.800000E+003 2.600000E+000 3.700000E+003 !(GLARBORG94 ) CN+CO2 = NCO+CO 3.700000E+006 2.160000E+000 2.690000E+004 !(GLARBORG94 ) CN+CH2O = HCN+HCO 4.215000E+013 0.000000E+000 0.000000E+000 !(JPCRD 92 ) C2N2+O = NCO+CN 4.570000E+012 0.000000E+000 8.880000E+003 !(MB89 ) C2N2+OH = HOCN+CN 1.860000E+011 0.000000E+000 2.900000E+003 !(MB89 ) NCO+H = NH+CO 5.000000E+013 0.000000E+000 0.000000E+000 !(MB89 ) NCO+CH2O = HNCO+HCO 6.020000E+012 0.000000E+000 0.000000E+000 !(JPCRD 92 ) NCO+HCO = HNCO+CO 3.620000E+013 0.000000E+000 0.000000E+000 !(JPCRD 92 ) NCO+NO = N2O+CO 5.230000E+017 -1.730000E+000 7.630000E+002 !+n2+o+co;/1.5 NCO+NO = CO2+N2 4.110000E+017 -1.730000E+000 7.630000E+002 ! /1.5 NCO+NO2 = CO+NO+NO 1.390000E+013 0.000000E+000 0.000000E+000 !(JPCRD 92 ) NCO+NO2 = CO2+N2O 5.400000E+012 0.000000E+000 0.000000E+000 !(GLARBORG94 ) NCO+HNO = HNCO+NO 1.800000E+013 0.000000E+000 0.000000E+000 !(JPCRD 92) NCO+HONO = HNCO+NO2 3.600000E+012 0.000000E+000 0.000000E+000 !(JPCRD 92 ) NCO+N2O = N2+NO+CO 9.000000E+013 0.000000E+000 2.780000E+004 !(JPCRD 92 ) NCO+NCO = N2+CO+CO 1.800000E+013 0.000000E+000 0.000000E+000 !(JPCRD 92 ) NCO+O = NO+CO 2.000000E+013 0.000000E+000 0.000000E+000 !pg94/2 NCO+N = N2+CO 2.000000E+013 0.000000E+000 0.000000E+000 !(MB89 ) NCO+OH = HCO+NO 5.000000E+012 0.000000E+000 1.500000E+004 !(GLARBORG94 ) NCO+M = N+CO+M 3.100000E+016 -5.000000E-001 4.800000E+004 !(MB89 ) H2O /1.625000E+001/ CO /1.875000E+000/ CO2 /3.750000E+000/ CH4 /1.625000E+001/ C2H6 /1.625000E+001/ NCO+H2 = HNCO+H 7.600000E+002 3.000000E+000 4.000000E+003 !(GLARBORG94 ) NCO+O2 = NO+CO2 2.000000E+012 0.000000E+000 2.000000E+004 !pg94 NCO+CN = NCN+CO 1.800000E+013 0.000000E+000 0.000000E+000 !(GLARBORG94 ) NCN+H = HCN+N 2.500000E+013 0.000000E+000 0.000000E+000 !Lamoureux (2010) NCN+O = CN+NO 2.550000E+013 1.500000E-001 -3.400000E+001 !Lamoureux (2010) NCN+OH = HCN+NO 4.710000E+010 4.400000E-001 4.006000E+003 !Lamoureux (2010) NCN+O2 = NO+NCO 3.800000E+009 5.100000E-001 2.461600E+004 !Lamoureux (2010) H2NO+O = NH2+O2 4.000000E+013 0.000000E+000 0.000000E+000 !(GLARBORG94 ) H2NO+M = HNO+H+M 5.000000E+016 0.000000E+000 5.000000E+004 !(GLARBORG94 ) H2O /1.625000E+001/ CO /1.875000E+000/ CO2 /3.750000E+000/ CH4 /1.625000E+001/ C2H6 /1.625000E+001/ H2NO+H = HNO+H2 3.000000E+007 2.000000E+000 2.000000E+003 !(GLARBORG94 ) H2NO+H = NH2+OH 5.000000E+013 0.000000E+000 0.000000E+000 !(GLARBORG94 ) H2NO+O = HNO+OH 3.000000E+007 2.000000E+000 2.000000E+003 !(GLARBORG94 ) H2NO+OH = HNO+H2O 2.000000E+007 2.000000E+000 1.000000E+003 !(GLARBORG94 ) H2NO+NO = HNO+HNO 2.000000E+007 2.000000E+000 1.300000E+004 !(GLARBORG94 ) H2NO+NH2 = HNO+NH3 3.000000E+012 0.000000E+000 1.000000E+003 !(GLARBORG94 ) HONO+O = NO2+OH 1.200000E+013 0.000000E+000 6.000000E+003 !(GLARBORG94 ) HONO+OH = NO2+H2O 1.300000E+010 1.000000E+000 1.350000E+002 !(GLARBORG94 ) CH2+N2 = HCN+NH 1.000000E+013 0.000000E+000 7.400000E+004 !(MB89 ) CH+N2 = NCN+H 1.950000E+012 0.000000E+000 1.691500E+004 !Lamoureux (2010) CH2+N = HCN+H 5.000000E+013 0.000000E+000 0.000000E+000 !(MB89 ) CH+N = CN+H 1.300000E+013 0.000000E+000 0.000000E+000 !(MB89 ) CO2+N = CO+NO 1.900000E+011 0.000000E+000 3.400000E+003 !(MB89 ) CH3+N = H2CN+H 3.000000E+013 0.000000E+000 0.000000E+000 !(MB89 ) C2H3+N = HCN+CH2 2.000000E+013 0.000000E+000 0.000000E+000 !(MB89 ) C3H3+N = HCN+C2H2 1.000000E+013 0.000000E+000 0.000000E+000 !(MB89 ) H2CN+N = N2+CH2 2.000000E+013 0.000000E+000 0.000000E+000 !(MB89 ) H2CN+M = HCN+H+M 3.000000E+014 0.000000E+000 2.200000E+004 !(MB89 ) H2O /1.625000E+001/ CO /1.875000E+000/ CO2 /3.750000E+000/ CH4 /1.625000E+001/ C2H6 /1.625000E+001/ CH2O+NO2 = HCO+HONO 8.000000E+002 2.770000E+000 1.373000E+004 !91STA/HER HCO+HNO = CH2O+NO 6.000000E+011 0.000000E+000 2.000000E+003 !91TSA/HER HONO+HONO = H2O+NO+NO2 3.490000E-001 3.640000E+000 1.214000E+004 !98MEBEL/LIN/MELIUS NCO+CH4 = HNCO+CH3 1.000000E+013 0.000000E+000 8.126000E+003 !94 SCHUCK/VOLPP/WOLFRUM C+F 99,491 NCO+C2H6 = HNCO+C2H5 1.454000E-009 6.890000E+000 2.916000E+003 !94 SCHUCK/VOLPP/WOLFRUM C+F 99,491 CH3O+HNO = CH3OH+NO 3.160000E+013 0.000000E+000 0.000000E+000 !88HE/SAN CH2CHO+NO2 = CH2O+HCO+NO 8.900000E+012 0.000000E+000 -1.590000E+002 !91BAR/SAN CH3CHO+CH3 = CH3COCH3+H 1.660000E+010 0.000000E+000 1.240000E+004 !Burluka (2010) C5H5 = C3H3+C2H2 2.790000E+079 -1.880000E+001 1.308340E+005 !Richter (2002) HCO+HCO = H2+CO+CO 3.000000E+012 0.000000E+000 0.000000E+000 !Keromnes (2013) C6H5+CH3 = PHCH2+H 4.440000E+033 -5.450000E+000 2.429000E+004 !Richter (2002) C8H6+O = C6H5CH+CO 3.600000E+012 0.000000E+000 6.330000E+002 ! Richter (2002) C6H5CH+H = PHCH2 1.000000E+013 0.000000E+000 0.000000E+000 !Richter (2002) PHCH2+H = C6H5CH+H2 6.030000E+013 0.000000E+000 1.510300E+004 !Richter (2002) C6H5CH+O = C6H6+CO 1.000000E+013 0.000000E+000 0.000000E+000 ! Richter (2002) C6H5CH+OH = C6H6+HCO 1.000000E+013 0.000000E+000 0.000000E+000 ! Richter (2002) C6H6O = C5H6+CO 1.000000E+012 0.000000E+000 6.080200E+004 !Richter (2003) n-C4H5+aC3H4 = C7H8+H 2.000000E+011 0.000000E+000 3.700000E+003 !Dagaut (2002) n-C4H5+pC3H4 = C7H8+H 6.320000E+011 0.000000E+000 3.700000E+003 !Dagaut (2002) PHCH2+O = C6H5+CH2O 1.000000E+013 0.000000E+000 0.000000E+000 !Dagaut (2002) C3H3+aC3H4 = C6H6+H 1.000000E+012 0.000000E+000 12800 !Dagaut (2002) C3H3+pC3H4 = C6H6+H 1.000000E+012 0.000000E+000 12800 !Dagaut (2002) C3H3+C3H3 = C6H5+H 1.000000E+013 0.000000E+000 0 !Dagaut (2002) C6H5+aC3H4 = C9H8+H 5.13E2 3.2 2788 !Li (2011) C6H5+C3H3 = C9H8 1.5E75 -17.8 39600 !Li (2011) C6H6+C3H3 = C9H8+H 6.26E9 2.61 56500 !Li (2011) C9H8+CH3 = C9H7+CH4 1.8E-1 4 456 !Li (2011) C10H7OH-1 = C9H8+CO 8.62E15 -0.61 74118 !Blanquart (2009) C10H7OH-2 = C9H8+CO 8.62E15 -0.61 74118 !Blanquart (2009) C2H+H(+M) = C2H2(+M) 1.00E+17 -1.0 0.0 !Li (2011) LOW / 3.750E+33 -4.8 1900.0 / TROE/ 0.6464 132.00 1315.00 5566.0 / C4H+H(+M) = C4H2(+M) 1.000E+17 -1.000 0.00 != C2H +H Li (2011) LOW / 3.750E+33 -4.800 1900.00 / TROE/ 0.6464 132.00 1315.00 5566.0 / C6H+H(+M) = C6H2(+M) 1.000E+17 -1.000 0.00 != C2H +H Li (2011) LOW / 3.750E+33 -4.800 1900.00 / TROE/ 0.6464 132.00 1315.00 5566.0 / C2H+C2H = C4H2 5E13 0 0 !Li (2011) C4H+C2H = C6H+H 3.6E13 0 0 !Li (2011) C4H+C2H = C6H2 5E13 0 0 !Li (2011) C5H5+O2 = C5H4O+OH 3.440E+11 -0.010 25320 !Blanquart (2009) C5H5+O2 = C5H5O+O 7.730E+15 -0.730 48740 !Blanquart (2009) C5H5+HO2 = C5H5O+OH 6.270E+29 -4.690 11649 !Blanquart (2009) C5H5+HO2 = C5H4O+H2O 1.190E+33 -6.520 13401 !Blanqurt (2009) C5H4O+O = CO+HCO+C3H3 6.200E+08 1.450 -858 !Blanquart (2009) CH2CO+H = HCCO+H2 3E7 2 10000!Pope miller (2000) CH2CO+OH = HCCO+H2O 7.500E+12 0.000 2000.00 !Chong (2011) H+CH2CO = CH3+CO 5.93E6 2 1300 !Pope miller (2000) CH2CO+OH = CH2OH+CO 2.0E+12 0.00 -1.010E+03 !Pichon (2009) END