MECHANISM OF GASPHASE REACTION IN CVD OF CARBON FROM C2H2,C2H4,C3H6
****
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**** *
**** GAPHASE MECHANISM FOR CHEMICAL VAPOR DEPOSITION OF *
**** CARBON FROM LIGHT HYDROCARBONS (C2H2, C2H4, C3H6). *
**** *
**** Version 1.0, March 2005 *
**** *
**** K. Norinaga, O. Deutschmann *
**** Karlsruhe University, Germany *
**** *
**** NOTE: That is a first version that needs further *
**** improvements, *
**** *
**** HOMREA / DETCHEM format *
**** *
**** Reference: *
**** K. Norinaga and O. Deutschmann *
**** Detailed gasphase chemistry in CVD of carbon from *
**** unsaturated light hydrocarbons *
**** Proc. EUROCVD-15, Bochum, September 4-9, 2005 *
**** *
**** Kinetic data: *
**** k = A * T**b * exp (-Ea/RT) A b Ea *
**** (cm,mol,s) - kJ/mol *
**** *
**** see manuals on www.detchem.com for details *
**** *
**** The kinetic data of the backward reactions are calculated *
**** from thermodynamics (k_b = k_f /K) *
**** *
**** Notes: Reactions after " **** times (value) " *
**** are adjusted from their originally reported values. *
**** "A" is multiplied by a factor of a value indicated. *
**** *
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**** 1. H2 REACTIONS
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H +H +M(1) =H2 +M(1) 0.100E+19 -1.0 0.00
H2 +H +H =H2 +H2 9.200E+16 -0.6 0.0
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**** 2. C1 REACTIONS
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CH +H =C +H2 1.100E+14 0.0 0.000
CH +H2 =3CH2 +H 1.107E+08 1.79 6.990
CH +H2 =CH3 3.190E+25 -4.99 11.34
CH +3CH2 =C2H3 3.090E+14 -1.98 2.59
3CH2 +H +M(2) =CH3 +M(2) 2.500E+16 -0.8 0.000
LOW 3.200E+27 -3.140 5.150
TROE 0.6800 78.0 1995.0 5590.0
3CH2 +H2 =CH3 +H 0.500E+06 2.0 30.250
3CH2 +C =C2H +H 0.500E+14 0.0 0.000
3CH2 +CH =C2H2 +H 0.400E+14 0.0 0.000
3CH2 +CH =C2H +H +H 5.490E+22 -2.41 48.20
3CH2 +3CH2 =C2H3 +H 7.120E+21 -3.9 10.29
3CH2 +3CH2 =C2H4 1.110E+20 -3.43 8.66
3CH2 +3CH2 =C2H2 +H2 3.200E+13 0.0 0.000
1CH2 +H =CH +H2 0.300E+14 0.0 0.000
1CH2 +H =3CH2 +H 2.000E+14 0.0 0.0
1CH2 +H2 =CH3 +H 0.700E+14 0.0 0.000
1CH2 +1CH2 =C2H2 +H2 3.010E+13 0.0 0.0
1CH2 +1CH2 =C2H3 +H 2.000E+13 0.0 0.0
CH3 +H +M(2) =CH4 +M(2) 1.270E+16 -0.630 1.60
LOW 2.477E+33 -4.760 10.21
TROE 0.7830 74.0 2941.0 6964.0
CH3 +C =C2H2 +H 0.500E+14 0.0 0.000
CH3 +CH =C2H3 +H 0.300E+14 0.0 0.000
CH3 +3CH2 =C2H4 +H 0.400E+14 0.0 0.000
CH3 +3CH2 =C2H5 2.530E+20 -3.49 8.49
CH3 +1CH2 =C2H4 +H 0.120E+14 0.0 -2.380
CH3 +1CH2 =C2H5 1.111E+19 -3.20 7.45
CH3 +CH3 +M(2) =C2H6 +M(2) 2.120E+16 -0.97 2.59
LOW 1.770E+50 -9.670 26.03
TROE 0.5325 151.0 1038.0 4970.0
CH3 +CH3 =C2H4 +H2 1.000E+16 0.0 134.02
CH3 +CH3 =C2H5 +H 4.990E+12 0.1 44.350
CH4 +H =CH3 +H2 0.660E+09 1.62 45.360
CH4 +CH =C2H4 +H 0.600E+14 0.0 0.000
CH4 +3CH2 =CH3 +CH3 0.246E+07 2.0 34.600
CH4 +1CH2 =CH3 +CH3 0.160E+14 0.0 -2.380
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**** 3. C2 REACTIONS
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C2 +H2 =C2H +H 4.000E+05 2.4 4.18
C2H +M(1) =C2 +H +M(1) 4.680E+16 0.0 518.84
C2H +H +M(2) =C2H2 +M(2) 1.000E+17 -1.0 0.000
LOW 3.750E+33 -4.800 7.95
TROE 0.6464 132.0 1315.0 5566.0
C2H +H2 =C2H2 +H 4.900E+05 2.5 2.34
C2H +1CH2 =CH +C2H2 1.810E+13 0.0 0.0
C2H +3CH2 =CH +C2H2 1.810E+13 0.0 0.0
C2H +CH3 =C3H3 +H 2.410E+13 0.0 0.0
C2H +CH3 =PC3H4 8.070E+49-11.305 183.27
C2H +CH4 =C2H2 +CH3 1.810E+12 0.0 2.09
C2H +C2H =C4H2 1.800E+13 0.0 0.0
C2H +C2H =C2H2 +C2 1.810E+12 0.0 0.0
C2H +C2H5 =C2H4 +C2H2 1.810E+12 0.0 0.0
C2H2 +H +M(2) =C2H3 +M(2) 0.560E+13 0.0 10.04
LOW 3.800E+40 -7.270 30.21
TROE 0.7507 98.5 1302.0 4167.0
C2H2 +H =CH +1CH2 5.490E+22 -2.41 48.20
C2H2 +H2 =C2H4 1.410E+41 -9.06 213.945
C2H2 +CH =C3H2 +H 3.000E+13 0.0 0.0
C2H2 +3CH2 =C3H3 +H 1.200E+13 0.0 27.70
C2H2 +1CH2 =C3H3 +H 2.000E+13 0.0 0.0
C2H2 +1CH2 =3CH2 +C2H2 4.000E+13 0.0 0.0
C2H2 +1CH2 =CYC3H4 1.660E+38 -8.65 25.48
C2H2 +1CH2 =AC3H4 7.460E+39 -8.78 26.57
C2H2 +1CH2 =PC3H4 2.620E+40 -8.86 26.82
C2H2 +CH3 =AC3H4 +H 2.870E+21 -2.74 103.77
C2H2 +CH3 =PC3H4 +H 1.000E+13 -0.53 56.07
C2H2 +CH3 =AC3H5 1.400E+04 2.21 69.04
C2H2 +C2H =C4H2 +H 9.600E+13 0.0 0.0
C2H2 +C2H =N-C4H3 1.300E+30 -6.12 10.5
C2H2 +C2H =I-C4H3 1.600E+34 -7.28 20.21
C2H2 +C2H2 =C4H2 +H2 1.500E+13 0.0 178.67
C2H2 +C2H2 =C4H4 5.500E+12 0.0 154.65
C2H3 +H +M(2) =C2H4 +M(2) 0.608E+13 0.27 1.170
LOW 1.400E+30 -3.860 13.89
TROE 0.782 207.5 2663.0 6095.0
C2H3 +H =C2H2 +H2 3.000E+13 0.0 0.000
C2H3 +CH =3CH2 +C2H2 5.000E+13 0.0 0.0
C2H3 +1CH2 =CH3 +C2H2 1.810E+13 0.0 0.0
C2H3 +3CH2 =C2H2 +CH3 1.810E+13 0.0 0.0
C2H3 +3CH2 =AC3H4 +H 3.000E+13 0.0 0.0
C2H3 +CH3 =AC3H5 +H 7.200E+13 0.0 0.0
C2H3 +CH3 =C2H2 +CH4 3.920E+11 0.0 0.0
C2H3 +C2H =C2H2 +C2H2 3.000E+13 0.0 0.0
C2H3 +C2H =C4H4 2.120E+60-13.45 115.27
C2H3 +C2H2 =C4H4 +H 4.600E+16 -1.25 35.15
C2H3 +C2H2 =N-C4H5 2.400E+31 -6.95 23.43
C2H3 +C2H2 =I-C4H5 1.000E+37 -8.77 41.01
C2H3 +C2H3 =C2H2 +C2H4 1.440E+13 0.0 0.0
C2H3 +C2H3 =C4H6 1.500E+52-11.97 67.37
C2H3 +C2H3 =I-C4H5 +H 7.200E+28 -4.49 59.83
C2H3 +C2H3 =N-C4H5 +H 4.600E+24 -3.38 61.51
C2H3 +C2H3 =C4H4 +H +H 7.830E+12 0.0 0.0
C2H4 +M(2) =C2H2 +H2 +M(2) 0.800E+13 0.44 371.43
LOW 7.000E+50 -9.310 417.83
TROE 0.7345 180.0 1035.0 5417.0
C2H4 +H +M(2) =C2H5 +M(2) 1.080E+12 0.454 7.62
LOW 1.200E+42 -7.620 29.16
TROE 0.9753 210.0 987.0 4374.0
C2H4 +H =C2H3 +H2 1.330E+06 2.53 51.21
C2H4 +CH =AC3H4 +H 1.750E+15 -0.38 0.42
C2H4 +CH =AC3H5 1.670E+34 -7.60 15.44
C2H4 +1CH2 =C3H6 9.030E+13 0.0 0.0
C2H4 +3CH2 =AC3H5 +H 3.190E+12 0.0 22.11
C2H4 +CH3 =C2H3 +CH4 0.227E+06 2.0 38.49
C2H4 +C2H =C4H4 +H 1.200E+13 0.0 0.0
C2H4 +C2H3 =C4H6 +H 7.400E+14 -0.66 35.23
C2H4 +C2H3 =I-C4H7 2.110E+22 -4.70 4.980
C2H4 +C2H4 =C2H3 +C2H5 5.010E+14 0.0 270.72
C2H5 +H +M(2) =C2H6 +M(2) 0.521E+18 -0.99 6.610
LOW 1.990E+41 -7.08 27.97
TROE 0.8422 125.0 2219.0 6882.0
C2H5 +H =C2H4 +H2 0.200E+13 0.0 0.00
C2H5 +1CH2 =C2H4 +CH3 9.030E+12 0.0 0.0
C2H5 +1CH2 =C3H6 +H 9.030E+12 0.0 0.0
C2H5 +3CH2 =C2H4 +CH3 1.810E+13 0.0 0.0
C2H5 +CH3 =C2H4 +CH4 1.950E+13 -0.5 0.0
C2H5 +CH3 =C3H8 3.370E+13 0.0 0.0
C2H5 +C2H =C3H3 +CH3 1.810E+13 0.0 0.0
C2H5 +C2H2 =C2H6 +C2H 2.710E+11 0.0 98.10
C2H5 +C2H3 =C2H6 +C2H2 4.820E+11 0.0 0.0
C2H5 +C2H5 =C2H6 +C2H4 1.390E+12 0.0 0.0
C2H6 +H =C2H5 +H2 1.150E+08 1.9 31.51
C2H6 +1CH2 =C2H5 +CH3 0.400E+14 0.0 -2.30
C2H6 +CH3 =C2H5 +CH4 0.614E+07 1.74 43.72
C2H6 +C2H3 =C2H5 +C2H4 1.500E+13 0.0 41.8
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**** 4. C3 REACTIONS
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C3H2 +CH =C4H2 +H 5.000E+13 0.0 0.0
C3H2 +3CH2 =N-C4H3 +H 5.000E+13 0.0 0.0
C3H2 +CH3 =C4H4 +H 5.000E+12 0.0 0.0
C3H2 +C3H2 =C4H2 +C2H2 2.000E+13 0.0 355.66
C3H2 +C3H2 =C6H2 +H2 2.000E+13 0.0 355.66
C3H3 =C3H2 +H 5.200E+12 0.0 328.24
C3H3 +H +M(2) =AC3H4 +M(2) 3.000E+13 0.0 0.0
LOW 1.400E+31 -5.0 -25.11
TROE 0.500 2000.0 10.0 10000.0
C3H3 +H +M(2) =PC3H4 +M(2) 3.000E+13 0.0 0.0
LOW 1.400E+31 -5.0 -25.11
TROE 0.500 2000.0 10.0 10000.0
C3H3 +H =C3H2 +H2 5.000E+13 0.0 4.18
C3H3 +CH =N-C4H3 +H 7.000E+13 0.0 0.0
C3H3 +CH =I-C4H3 +H 5.000E+13 0.0 0.0
C3H3 +3CH2 =C4H4 +H 2.000E+13 0.0 0.0
C3H3 +CH3 +M(2) =C4H612 +M(2) 1.500E+13 0.0 0.0
LOW 2.600E+58-11.94 40.88
TROE 0.175 1340.0 60000.0 9769.0
C3H3 +C2H3 =C5H5 +H 9.630E+40 -7.8 120.59
C3H3 +C3H3 =C6H6 3.000E+12 0.0 0.0
AC3H4 =PC3H4 2.500E+12 0.0 246.87
AC3H4 +H =C3H3 +H2 1.150E+08 1.9 31.51
AC3H4 +CH3 =C3H3 +CH4 1.000E+12 0.0 33.47
AC3H4 +C2H =C2H2 +C3H3 1.000E+13 0.0 0.0
AC3H4 +C3H3 =C6H6 +H 1.400E+12 0.0 41.84
PC3H4 +H =C3H3 +H2 1.150E+08 1.9 31.51
PC3H4 +H =TC3H5 4.000E+12 0.0 8.79
PC3H4 +CH3 =C3H3 +CH4 1.000E+12 0.0 33.47
PC3H4 +C2H =C2H2 +C3H3 1.000E+13 0.0 0.0
CYC3H4 =AC3H4 1.510E+14 0.0 210.88
CYC3H4 =PC3H4 7.080E+13 0.0 182.85
AC3H5 =AC3H4 +H 1.790E+13 0.84 250.00
AC3H5 +H =AC3H4 +H2 1.000E+13 0.0 0.0
AC3H5 +1CH2 =C4H6 +H 3.010E+13 0.0 0.0
AC3H5 +CH3 =AC3H4 +CH4 4.860E+11 -0.32 0.55
AC3H5 +C2H =C3H3 +C2H3 2.000E+01 0.0 0.0
AC3H5 +C2H =AC3H4 +C2H2 1.500E-01 0.0 0.0
AC3H5 +C2H =C5H6 4.820E+13 0.0 0.0
AC3H5 +C2H2 =L-C5H7 3.190E+10 0.0 29.10
AC3H5 +C2H3 =AC3H4 +C2H4 2.410E+12 0.0 0.0
AC3H5 +C2H3 =C3H6 +C2H2 4.820E+12 0.0 0.0
AC3H5 +C2H3 =C5H6 +H +H 1.590E+65-14.00 256.34
AC3H5 +C2H4 =C5H8 +H 6.030E+09 0.0 48.06
AC3H5 +C2H5 =AC3H4 +C2H6 9.640E+11 0.0 -0.55
AC3H5 +C2H5 =C3H6 +C2H4 2.590E+12 0.0 -0.55
AC3H5 +AC3H5 =AC3H4 +C3H6 8.430E+10 0.0 -1.10
SC3H5 =C2H2 +CH3 1.300E+13 0.0 139.75
C3H6 =C2H3 +CH3 2.500E+14 0.0 368.21
C3H6 =AC3H5 +H 2.900E+13 0.0 334.74
C3H6 =C2H2 +CH4 3.500E+12 0.0 292.7
C3H6 =PC3H4 +H2 2.000E+13 0.0 334.74
C3H6 +H =CH3 +C2H4 3.400E+13 0.0 14.64
C3H6 +H =AC3H5 +H2 6.000E+12 0.0 6.28
C3H6 +H =TC3H5 +H2 1.300E+15 0.0 95.40
C3H6 +H =SC3H5 +H2 2.500E+15 0.0 95.40
C3H6 +1CH2 =AC3H5 +CH3 7.230E+11 0.0 25.91
C3H6 +CH3 =AC3H5 +CH4 2.210E+00 3.5 23.75
C3H6 +CH3 =TC3H5 +CH4 1.100E+11 0.0 46.44
C3H6 +CH3 =SC3H5 +CH4 2.100E+11 0.0 46.44
C3H6 +C2H =PC3H4 +C2H3 1.210E+13 0.0 0.0
C3H6 +C2H =C4H61 +CH 1.210E+13 0.0 0.0
C3H6 +C2H3 =AC3H5 +C2H4 1.000E+12 0.0 33.47
C3H6 +C2H3 =C4H6 +CH3 7.230E+11 0.0 20.96
C3H6 +C2H5 =AC3H5 +C2H6 2.230E+00 3.5 27.77
C3H6 +C3H3 =AC3H5 +AC3H4 1.000E+12 0.0 33.47
C3H6 +C3H6 =AC3H5 +I-C3H7 2.530E+14 0.0 231.0
C3H6 +C3H6 =AC3H5 +N-C3H7 4.880E+13 0.0 219.0
C3H6 +C3H6 =1-C6H12 1.940E+08 2.5 154.0
C3H6 +C3H6 =4m1pent 2.650E+08 2.1 150.0
N-C3H7 =C3H6 +H 1.260E+13 0.0 161.0
N-C3H7 =C2H4 +CH3 1.210E+13 0.0 126.0
N-C3H7 +H =C3H6 +H2 1.810E+12 0.0 0.0
N-C3H7 +3CH2 =C2H5 +C2H4 1.810E+13 0.0 0.0
N-C3H7 +3CH2 =C3H6 +CH3 1.810E+12 0.0 0.0
N-C3H7 +CH3 =C3H6 +CH4 1.850E+12 -0.32 0.0
N-C3H7 +C2H =C3H6 +C2H2 6.030E+12 0.0 0.0
N-C3H7 +C2H =C3H3 +C2H5 1.210E+13 0.0 0.0
N-C3H7 +C2H3 =C3H6 +C2H4 1.210E+12 0.0 0.0
N-C3H7 +C2H3 =C3H8 +C2H2 1.210E+12 0.0 0.0
N-C3H7 +C2H5 =C3H8 +C2H4 1.150E+12 0.0 0.0
N-C3H7 +C2H5 =C3H6 +C2H6 1.450E+12 0.0 0.0
N-C3H7 +C2H6 =C3H8 +C2H5 2.530E-01 3.82 37.83
N-C3H7 +AC3H5 =AC3H4 +C3H8 7.230E+11 0.0 -0.55
N-C3H7 +C3H6 =C3H8 +AC3H5 2.230E+00 3.5 27.77
N-C3H7 +N-C3H7 =C3H8 +C3H6 1.690E+12 0.0 0.0
N-C3H7 +C3H8 =C3H8 +I-C3H7 8.440E-04 4.00 19.77
I-C3H7 =C2H4 +CH3 1.000E+12 0.0 145.0
I-C3H7 =C3H6 +H 1.600E+13 0.0 150.0
I-C3H7 +H =C3H6 +H2 3.610E+12 0.0 0.0
I-C3H7 +H =C3H8 2.000E+13 0.0 0.0
I-C3H7 +CH3 =C3H6 +CH4 4.530E+12 0.68 0.0
I-C3H7 +C2H =C3H6 +C2H2 3.610E+12 0.0 0.0
I-C3H7 +C2H2 =C4H6 +CH3 2.770E+10 0.0 27.21
I-C3H7 +C2H3 =C3H6 +C2H4 2.820E+12 -0.7 0.0
I-C3H7 +C2H3 =C3H8 +C2H2 1.520E+14 -0.70 0.0
I-C3H7 +C2H5 =C3H6 +C2H6 2.300E+13 -0.35 0.0
I-C3H7 +C2H5 =C3H8 +C2H4 1.840E+13 -0.35 0.0
I-C3H7 +C2H6 =C3H8 +C2H5 8.440E-01 4.2 36.47
I-C3H7 +AC3H5 =C3H8 +AC3H4 4.580E+12 -0.35 -0.55
I-C3H7 +C3H6 =C3H8 +AC3H5 6.620E-02 4.00 33.77
I-C3H7 +N-C3H7 =C3H8 +C3H6 5.130E+13 -0.35 0.0
I-C3H7 +I-C3H7 =C3H8 +C3H6 2.110E+14 -0.70 0.0
C3H8 +H =N-C3H7 +H2 1.330E+06 2.54 28.27
C3H8 +H =I-C3H7 +H2 1.300E+06 2.40 18.71
C3H8 +CH3 =N-C3H7 +CH4 9.040E-01 3.65 29.93
C3H8 +CH3 =I-C3H7 +CH4 1.510E+00 3.46 22.93
**********************************
**** 5. C4 REACTIONS
**********************************
C4H +H +M(2) =C4H2 +M(2) 1.000E+17 -1.0 0.0
LOW 3.750E+33 -4.80 7.95
TROE 0.6464 132.0 1315.0 5566.0
C4H +H2 =C4H2 +H 4.900E+05 2.5 2.34
C4H +C2H2 =C6H2 +H 9.600E+13 0.0 0.0
C4H2 +H =N-C4H3 3.300E+50-11.80 62.80
C4H2 +H =I-C4H3 2.600E+46-10.15 64.86
C4H2 +CH =C5H2 +H 5.000E+13 0.0 0.0
C4H2 +3CH2 =L-C5H3 +H 1.300E+13 0.0 0.0
C4H2 +1CH2 =L-C5H3 +H 3.000E+13 0.0 0.0
C4H2 +C2H =C4H +C2H2 2.000E+13 0.0 0.0
C4H2 +C2H =C6H2 +H 9.600E+13 0.0 0.0
C4H2 +C2H =C6H3 1.300E+30 -6.12 10.5
C4H2 +C4H =C8H2 +H 1.200E+14 0.0 0.0
C4H2 +C4H2 =C8H2 +H +H 1.510E+14 0.0 234.32
C4H2 +C4H2 =C8H2 +H2 1.510E+13 0.0 178.67
N-C4H3 =I-C4H3 1.000E+51-12.45 213.39
N-C4H3 +H =I-C4H3 +H 9.200E+11 0.63 12.51
N-C4H3 +H =C2H2 +C2H2 1.300E+20 -1.85 12.39
N-C4H3 +H =C4H4 1.100E+42 -9.65 29.29
N-C4H3 +H =C4H2 +H2 1.500E+13 0.0 0.0
N-C4H3 +C2H2 =L-C6H4 +H 1.800E+19 -1.95 55.23
N-C4H3 +C2H2 =N-C6H5 4.100E+33 -7.12 57.32
N-C4H3 +C2H2 =C6H5 9.800E+68-17.58 110.88
N-C4H3 +C2H2 =C-C6H4 +H 3.500E+41 -8.63 96.24
N-C4H3 +C2H3 =C6H5 +H 6.000E+12 0.0 0.0
N-C4H3 +C4H2 =A1C2H- 9.800E+68-17.58 110.88
N-C4H3 +C4H2 =A1C2H* 3.330E+24 -3.89 38.54
I-C4H3 +H =C2H2 +C2H2 3.700E+22 -2.50 21.51
I-C4H3 +H =C4H4 5.300E+46-10.68 38.79
I-C4H3 +H =C4H2 +H2 3.000E+13 0.0 0.0
I-C4H3 +H2 =C2H2 +C2H3 5.010E+10 0.0 83.68
I-C4H3 +3CH2 =AC3H4 +C2H 2.000E+13 0.0 0.0
I-C4H3 +C2H3 =C6H5 +H 6.000E+12 0.0 0.0
C4H4 =C4H2 +H2 1.260E+15 0.0 396.24
C4H4 +H =N-C4H5 1.100E+50-11.94 56.07
C4H4 +H =I-C4H5 2.100E+52-12.44 64.86
C4H4 +H =N-C4H3 +H2 6.650E+05 2.53 51.21
C4H4 +H =I-C4H3 +H2 3.330E+05 2.53 38.66
C4H4 +C2H =I-C4H3 +C2H2 4.000E+13 0.0 0.0
C4H4 +C2H =N-C4H3 +C2H2 4.000E+13 0.0 0.0
C4H4 +C2H =C4H2 +C2H3 1.000E+13 0.0 0.0
C4H4 +C2H2 =C6H5 +H 1.000E+09 0.0 126.00
C4H4 +C2H2 =C6H6 4.470E+11 0.0 126.00
C4H4 +C2H3 =L-C6H6 +H 1.900E+17 -1.32 44.35
C4H4 +C2H3 =N-C4H3 +C2H4 5.000E+11 0.0 68.20
C4H4 +C2H3 =I-C4H3 +C2H4 5.000E+11 0.0 68.20
**** times 0.5
C4H4 +C4H4 =A1C2H3 7.500E+13 0.0 159.00
N-C4H5 =I-C4H5 4.900E+66-17.26 231.80
N-C4H5 +H =I-C4H5 +H 1.000E+34 -5.61 77.41
N-C4H5 +H =C4H4 +H2 1.500E+13 0.0 0.0
N-C4H5 +C2H2 =N-C6H7 1.100E+14 -1.27 12.13
N-C4H5 +C2H2 =C-C6H7 5.000E+24 -5.46 19.25
N-C4H5 +C2H2 =L-C6H6 +H 5.800E+08 1.02 45.61
N-C4H5 +C2H2 =C6H6 +H 2.100E+15 -1.07 20.08
N-C4H5 +C2H3 =C6H6 +H2 2.800E-07 5.63 -7.91
N-C4H5 +C2H3 =C6H813 5.500E+15 -1.67 6.15
N-C4H5 +AC3H4 =C7H8 +H 2.000E+11 0.0 15.48
N-C4H5 +PC3H4 =C7H8 +H 3.160E+11 0.0 15.48
N-C4H5 +C4H2 =A1C2H +H 3.160E+11 0.0 7.53
N-C4H5 +C4H4 =A1C2H3 +H 3.160E+11 0.0 2.51
I-C4H5 +H =C4H4 +H2 3.000E+13 0.0 0.0
I-C4H5 +H =C3H3 +CH3 2.000E+13 0.0 8.37
C4H52 =C4H4 +H 3.000E+13 0.0 188.29
C4H52 +C3H3 =C7H7 +H 3.000E+12 0.0 0.0
C4H52 +C4H52 =ACH3CH2 +H 3.000E+12 0.0 0.0
C4H512 =C4H4 +H 3.000E+13 0.0 188.29
N-C4H51 =C4H4 +H 3.000E+13 0.0 188.29
N-C4H51 =C2H +C2H4 2.000E+14 0.0 238.50
I-C4H51 =C4H4 +H 3.000E+13 0.0 188.29
I-C4H51 +C3H3 =C7H7 +H 3.000E+12 0.0 0.0
I-C4H51 +I-C4H51 =ACH3CH2 +H 3.000E+12 0.0 0.0
C4H6 =I-C4H5 +H 3.300E+45 -8.95 484.95
C4H6 =N-C4H5 +H 8.500E+54-11.78 533.49
C4H6 =C2H4 +C2H2 6.400E+13 0.0 322.60
C4H6 =C4H4 +H2 2.520E+15 0.0 396.24
C4H6 +H =N-C4H5 +H2 1.330E+06 2.53 51.21
C4H6 +H =I-C4H5 +H2 6.650E+05 2.53 38.66
C4H6 +CH3 =N-C4H5 +CH4 4.000E+14 0.0 95.40
C4H6 +CH3 =I-C4H5 +CH4 2.000E+14 0.0 95.40
C4H6 +C2H2 =C6H814 2.300E+12 0.0 146.45
C4H6 +C2H3 =N-C4H5 +C2H4 5.000E+14 0.0 95.40
C4H6 +C3H3 =N-C4H5 +AC3H4 1.000E+13 0.0 94.14
C4H6 +C3H3 =I-C4H5 +AC3H4 1.000E+13 0.0 94.14
C4H612 =C4H6 2.500E+13 0.0 263.60
C4H612 =C3H3 +CH3 2.000E+15 0.0 313.81
C4H612 +H =AC3H4 +CH3 6.000E+12 0.0 8.79
C4H612 +H =PC3H4 +CH3 6.000E+12 0.0 8.79
C4H612 +H =C4H512 +H2 6.500E+13 0.0 39.33
C4H612 +H =C4H6 +H 2.000E+13 0.0 16.74
C4H612 +H =I-C4H5 +H2 1.700E+05 2.5 10.42
C4H612 +CH3 =C4H512 +CH4 1.000E+14 0.0 81.59
C4H612 +C2H3 =C4H512 +C2H4 7.500E+12 0.0 41.84
C4H612 +C3H3 =C4H512 +AC3H4 5.000E+12 0.0 81.59
C4H61 =C3H3 +CH3 3.000E+15 0.0 317.16
C4H61 =C4H612 2.500E+13 0.0 271.97
C4H61 +H =AC3H4 +CH3 1.300E+05 2.5 4.18
C4H61 +H =C2H5 +C2H2 6.500E+04 2.5 4.18
C4H61 +H =I-C4H51 +H2 6.500E+13 0.0 39.33
C4H61 +H =N-C4H51 +H2 6.500E+13 0.0 39.33
C4H61 +CH3 =I-C4H51 +CH4 1.000E+14 0.0 81.59
C4H61 +CH3 =N-C4H51 +CH4 1.000E+14 0.0 81.59
C4H61 +C2H3 =N-C4H51 +C2H4 1.500E+13 0.0 41.8
C4H61 +C3H3 =N-C4H51 +AC3H4 1.000E+13 0.0 81.59
C4H62 =C4H6 3.000E+13 0.0 271.97
C4H62 =C4H612 3.000E+13 0.0 280.34
C4H62 =C4H52 +H 5.000E+14 0.0 365.28
C4H62 +H =PC3H4 +CH3 2.600E+05 2.5 4.18
C4H62 +CH3 =C4H52 +CH4 2.000E+14 0.0 81.59
C4H62 +C2H3 =C4H52 +C2H4 1.500E+13 0.0 41.8
C4H62 +C3H3 =C4H52 +AC3H4 1.000E+13 0.0 81.59
I-C4H7 =C4H6 +H 3.160E+13 0.0 145.61
I-C4H7 +H =C4H6 +H2 1.820E+12 0.0 0.0
I-C4H7 +H =C4H8 1.000E+14 0.0 0.0
C4H8 =AC3H5 +CH3 1.100E+16 0.0 325.08
**********************************
**** 6. C5 REACTIONS
**********************************
C5H3 +H =C5H4 1.000E+14 0.0 0.0
C5H4 =L-C5H4 1.000E+13 0.0 25.11
C5H4 +H =C5H3 +H2 1.000E+06 2.5 20.92
L-C5H5 +H =L-C5H4 +H2 1.810E+12 0.0 0.0
L-C5H5 +CH3 =L-C5H4 +CH4 1.950E+13 -0.5 0.0
C5H5 =C3H3 +C2H2 2.790E+79-18.30 547.44
C5H5 =L-C5H5 1.640E+96-23.50 574.95
C5H5 =C5H4H 5.170E+80-20.40 402.46
C5H5 +H =C5H6 2.000E+14 0.0 0.0
C5H5 +H =C5H4 +H2 3.230E+07 2.095 66.29
C5H5 +CH3 =C5H4 +CH4 2.000E+12 0.0 63.01
C5H5 +CH3 =C-C6H7 +H 2.440E+41 -7.989 164.27
C5H5 +AC3H5 =C5H6 +AC3H4 1.000E+12 0.0 0.0
C5H5 +C5H5 =A2 +H +H 5.000E+12 0.0 33.47
C5H4H =C3H3 +C2H2 3.400E+80-19.20 427.90
C5H4H +H =C5H4 +H2 2.800E+13 0.0 9.45
C5H6 +H =C5H5 +H2 2.190E+08 1.77 12.55
C5H6 +H =C5H4H +H2 2.800E+13 0.0 147.03
C5H6 +H =AC3H5 +C2H2 6.600E+14 0.0 51.65
C5H6 +CH3 =C5H5 +CH4 3.110E+11 0.0 23.01
C5H6 +CH3 =C5H4H +CH4 1.800E-01 4.0 137.58
C5H6 +C2H3 =C5H5 +C2H4 6.000E+12 0.0 0.0
C5H6 +AC3H5 =C5H5 +C3H6 2.000E-01 4.0 0.0
C5H6 +N-C4H5 =C5H5 +C4H6 1.200E-01 4.0 0.0
C5H6 +I-C4H5 =C5H5 +C4H6 6.000E+12 0.0 0.0
C5H7 =C5H6 +H 3.160E+15 0.0 150.63
C5H7 =L-C5H7 3.160E+15 0.0 165.28
L-C5H7 +H =L-C5H8 1.000E+14 0.0 0.0
C5H8 =C5H6 +H2 1.100E+13 0.0 246.0
L-C5H8 +H =L-C5H7 +H2 7.000E+06 2.0 20.92
L-C5H8 +H =AC3H5 +C2H4 3.350E+08 1.5 8.37
**********************************
**** 7. C6 REACTIONS
**********************************
C6H +H +M(2) =C6H2 +M(2) 1.000E+17 -1.0 0.0
LOW 3.750E+33 -4.80 7.95
TROE 0.6464 132.0 1315.0 5566.0
C6H +H2 =H +C6H2 4.900E+05 2.5 2.34
C6H2 +H =C6H3 2.600E+46-10.15 64.86
C6H2 +C2H =C6H +C2H2 2.000E+13 0.0 0.0
C6H2 +C2H =C4H +C4H2 1.000E+13 0.0 0.0
C6H3 +H =C4H2 +C2H2 3.700E+22 -2.5 21.51
C6H3 +H =L-C6H4 5.300E+46-10.68 38.79
C6H3 +H =C6H2 +H2 3.000E+13 0.0 0.0
L-C6H4 +H =N-C6H5 2.600E+43 -9.53 75.73
L-C6H4 +H =C6H5 4.700E+78-20.10 123.43
L-C6H4 +H =C-C6H4 +H 9.700E+48-10.37 112.97
L-C6H4 +H =C6H3 +H2 6.650E+06 2.53 38.66
L-C6H4 +C2H =C6H3 +C2H2 2.000E+13 0.0 0.0
C-C6H4 +H =C6H5 1.000E+71-16.88 143.10
C-C6H4 +C-C6H4 =BIPHEN 4.600E+12 0.0 0.0
N-C6H5 =C6H5 1.300E+59-14.78 148.96
N-C6H5 =C-C6H4 +H 1.500E+64-15.32 257.33
N-C6H5 +H =I-C6H5 +H 9.200E+11 0.63 12.51
N-C6H5 +H =C4H4 +C2H2 1.300E+20 -1.85 12.39
N-C6H5 +H =L-C6H6 1.100E+42 -9.65 29.27
N-C6H5 +H =L-C6H4 +H2 1.500E+13 0.0 0.0
I-C6H5 +H =C4H4 +C2H2 3.700E+22 -2.50 21.51
I-C6H5 +H =L-C6H6 5.300E+46-10.68 38.79
I-C6H5 +H =L-C6H4 +H2 3.000E+13 0.0 0.0
C6H5 +H +M(2) =C6H6 +M(2) 1.000E+14 0.0 0.0
LOW 6.600E+75-16.30 29.29
TROE 1.0000 0.1 584.9 6113.0
C6H5 +H =C-C6H4 +H2 4.400E-13 7.831 38.75
C6H5 +CH3 =C7H8 1.070E+65-15.64 95.06
C6H5 +CH3 =C7H7 +H 4.440E+33 -5.45 101.63
C6H5 +C2H2 =N-A1C2H2 9.900E+41 -9.26 65.69
C6H5 +C2H2 =A1C2H +H 8.320E+22 -2.68 72.81
C6H5 +C2H2 =A1C2H3* 7.900E+51-12.41 74.35
C6H5 +C2H =A1C2H 2.540E+17 -1.489 6.45
C6H5 +C2H3 =A1C2H3 3.900E+38 -7.63 53.98
C6H5 +C2H3 =I-A1C2H2+H 5.800E+18 -1.00 112.14
C6H5 +C2H3 =N-A1C2H2+H 5.100E+20 -1.56 131.38
**** times 2
C6H5 +C2H4 =A1C2H3 +H 5.000E+12 0.0 25.94
C6H5 +C3H3 =C9H8 1.510E+75-17.845 165.69
C6H5 +C3H3 =C9H7 +H 1.840E+72-16.129 241.14
C6H5 +AC3H4 =C9H8 +H 9.900E+30 -5.07 88.29
C6H5 +N-C4H3 =A2 1.510E+75-17.845 165.69
C6H5 +N-C4H3 =A2-2 +H 1.840E+72-16.129 241.14
C6H5 +C4H4 =A2 +H 9.900E+30 -5.07 88.29
C6H5 +C4H4 =A1C2H +C2H3 3.200E+11 0.0 5.65
C6H5 +C4H4 =A1C2H3 +C2H 3.200E+11 0.0 7.95
C6H5 +C4H6 =A1C2H3 +C2H3 3.200E+11 0.0 7.95
C6H5 +C5H6 =C5H5 +C6H6 1.000E-01 4.0 0.0
C6H5 +C6H5 =P2 5.940E+42 -8.83 57.87
C6H5 +C6H5 =P2- +H 8.600E+13 0.50 145.69
L-C6H6 +H =N-C6H7 1.500E+16 -1.69 6.69
L-C6H6 +H =C-C6H7 4.700E+27 -6.11 15.90
L-C6H6 +H =C6H6 +H 8.700E+16 -1.34 14.64
L-C6H6 +H =N-C6H5 +H2 6.650E+05 2.53 51.21
L-C6H6 +H =I-C6H5 +H2 3.330E+05 2.53 38.66
C6H6 +H =C-C6H7 4.800E+30 -6.54 -3.77
C6H6 +H =C6H5 +H2 3.030E+02 3.3 23.81
C6H6 +1CH2 =C7H8 1.200E+14 0.0 0.0
C6H6 +3CH2 =C7H8 5.000E+13 0.0 37.50
C6H6 +CH3 =C6H5 +CH4 2.000E+12 0.0 62.7
C6H6 +C2H =A1C2H +H 5.000E+13 0.0 0.0
**** times 2
C6H6 +C2H3 =A1C2H3 +H 1.600E+12 0.0 26.78
C6H6 +C6H5 =P2 +H 1.900E+76-18.90 165.15
N-C6H7 =C-C6H7 3.600E+27 -7.54 24.27
N-C6H7 =C6H6 +H 8.800E+24 -4.86 56.07
N-C6H7 +H =I-C6H7 +H 1.600E+42 -8.18 91.22
N-C6H7 +H =C6H8 6.700E+65-15.64 97.07
N-C6H7 +H =L-C6H6 +H2 1.500E+13 0.0 0.0
I-C6H7 +H =C6H8 1.400E+55-12.32 80.76
I-C6H7 +H =L-C6H6 +H2 3.000E+13 0.0 0.0
C-C6H7 +H =C6H6 +H2 1.000E+13 0.0 0.0
C-C6H7 +H =C6H813 6.000E+13 0.0 0.0
C-C6H7 +H =C6H814 6.000E+13 0.0 0.0
C-C6H7 +C6H5 =C6H6 +C6H6 1.000E+12 0.0 0.0
C-C6H7 +C-C6H7 =C6H813 +C6H6 1.940E+15 -1.0 0.0
C-C6H7 +C-C6H7 =C6H814 +C6H6 1.670E+15 -1.0 0.0
C6H814 +H =C-C6H7 +H2 2.800E+13 0.0 9.45
C6H813 =C6H6 +H2 4.700E+13 0.0 257.75
C6H814 =C6H6 +H2 1.050E+12 0.0 178.62
C-C6H12 =1-C6H12 5.010E+16 0.0 369.0
1-C6H12 =AC3H5 +N-C3H7 7.940E+15 0.0 296.0
**********************************
**** 8. C7 REACTIONS
**********************************
C7H7 =C5H5 +C2H2 6.000E+13 0.0 293.0
C7H7 +1CH2 =A1C2H3 +H 2.400E+14 0.0 0.0
C7H7 +3CH2 =A1C2H3 +H 7.000E+13 0.0 37.5
C7H7 +CH3 =A1C2H5 1.190E+13 0.0 0.92
**** times 0.5
C7H7 +C2H2 =C9H8 +H 1.600E+11 0.0 29.29
C7H7 +C3H3 =C10H10 1.000E+10 0.0 0.0
C7H7 +C6H5 =BENZYLB 1.190E+13 0.0 0.92
C7H7 +C6H6 =BENZYLB +H 1.200E+12 0.0 66.70
C7H8 +H =C6H6 +CH3 1.200E+13 0.0 21.54
C7H7 +H =C7H8 2.590E+14 0.0 0.0
C7H8 +H =C7H7 +H2 1.200E+14 0.0 34.46
C7H8 +H >C6H4CH3 +H2 3.230E+07 2.095 66.29
C7H8 +CH3 =C7H7 +CH4 3.160E+11 0.0 39.75
C7H8 +C6H5 =C7H7 +C6H6 2.100E+12 0.0 18.41
C7H8 +C2H3 =C7H7 +C2H4 3.980E+12 0.0 33.47
C6H4CH3 +CH3 >ACH3CH3 1.070E+65-15.64 95.06
**********************************
**** 9. C8 REACTIONS
**********************************
A1C2H +H =N-A1C2H2 1.200E+51-11.69 72.39
A1C2H +H =I-A1C2H2 1.200E+51-11.69 72.39
A1C2H +H =A1C2H* +H2 2.500E+14 0.0 66.95
A1C2H +H =A1C2H- +H2 2.500E+14 0.0 66.95
A1C2H +CH3 =A1C2H* +CH4 1.670E+12 0.0 63.00
A1C2H +C2H =A1C2H)2 +H 5.000E+13 0.0 0.0
**** times 5
A1C2H +C6H5 =A3 +H 4.775E+12 0.0 18.03
A1C2H- +H +M(2) =A1C2H +M(2) 1.000E+14 0.0 0.0
LOW 6.600E+75-16.30 29.29
TROE 1.0 0.1 584.9 6113.0
A1C2H* +H +M(2) =A1C2H +M(2) 1.000E+14 0.0 0.0
LOW 6.600E+75-16.30 29.29
TROE 1.0 0.1 584.9 6113.0
A1C2H* +C2H2 =A2-1 2.000E+72-17.74 153.14
A1C2H* +C2H2 =A1C2H)2 +H 4.800E+29 -4.59 108.79
A1C2H* +C2H2 =A2T1 +H 5.200E+64-14.54 218.42
A1C2H* +C6H6 =A3 +H 9.550E+11 0.0 18.03
**** times 20
A1C2H* +A1C2H =A4 +H 1.720E+13 0.0 16.68
N-A1C2H2+H =A1C2H +H2 1.210E+14 0.0 0.0
N-A1C2H2+H =I-A1C2H2+H 1.200E+25 -2.42 127.62
N-A1C2H2+C2H2 =A2 +H 2.100E+15 -1.07 20.08
I-A1C2H2+H =A1C2H +H2 3.000E+13 0.0 0.0
A1C2H3 =I-A1C2H2+H 3.800E+37 -6.55 477.84
A1C2H3 =N-A1C2H2+H 1.300E+44 -8.36 524.70
A1C2H3 +H =N-A1C2H2+H2 6.650E+06 2.53 51.21
A1C2H3 +H =I-A1C2H2+H2 3.330E+05 2.53 38.66
A1C2H3 +H =A1C2H3* +H2 2.500E+14 0.0 66.95
A1C2H3 +CH3 =N-A1C2H2+CH4 0.227E+06 2.0 38.49
A1C2H3 +CH3 =A1C2H3* +CH4 2.000E+12 0.0 62.7
A1C2H3* +H +M(2) =A1C2H3 +M(2) 1.000E+14 0.0 0.0
LOW 6.600E+75-16.30 29.29
TROE 1.0 0.1 584.9 6113.0
A1C2H3* +CH3 =C9H8 +H +H 5.000E+13 0.0 0.0
A1C2H3* +C2H2 =A2 +H 2.100E+15 -1.07 25.11
A1C2H5 +H =A1C2H3 +H2 +H 8.000E+13 0.0 34.46
A1C2H5 +H =C6H6 +C2H5 1.200E+13 0.0 21.34
A1C2H5 =A1C2H3 +H2 5.010E+12 0.0 267.79
ACH3CH2 +H =ACH3CH3 7.460E+13 0.0 0.33
ACH3CH3 +H =ACH3CH2 +H2 3.980E+02 3.44 13.05
**********************************
**** 10. C9 REACTIONS
**********************************
C9H7 +H =C9H8 2.000E+14 0.0 0.0
**** times 0.1
C9H7 +C5H5 =A3 +H +H 5.000E+11 0.0 16.7
C9H8 +H =C9H7 +H2 2.190E+08 1.77 12.55
**********************************
**** 11. C10 REACTIONS
**********************************
A1C2H)2 +H =A2-1 4.000E+75-18.06 144.35
A1C2H)2 +H =A2T1 +H 2.700E+76-17.32 243.52
A2T1 +H =A2-1 5.900E+61-15.42 152.72
A2T1 +C-C6H4 =A2C6H4-1 4.580E+41 -8.73 53.31
A2T1 +C-C6H4 =FLTHN 6.500E+39 -7.56 114.06
A2T1 +C-C6H4 =A3R5 5.120E+60-13.07 204.94
A2T1 +C-C6H4 =A3LR5 7.850E+55-11.98 183.23
A2T2 +C-C6H4 =A2C6H4-2 4.580E+41 -8.73 53.31
A2T2 +C-C6H4 =FLTHN 6.500E+39 -7.56 114.06
A2T2 +C-C6H4 =A3R5 5.120E+60-13.07 204.94
A2T2 +C-C6H4 =A3LR5 7.850E+55-11.98 183.23
A2 +H =A2-1 +H2 3.230E+07 2.095 66.29
A2 +H =A2-2 +H2 3.230E+07 2.095 66.29
A2 +H =C10H9 5.000E+14 0.0 20.92
**** times 5
A2 +CH3 =A2-1 +CH4 1.000E+13 0.0 63.01
A2 +CH3 =A2-2 +CH4 2.000E+12 0.0 63.01
A2 +C2H =A2C2H-1 +H 5.000E+13 0.0 0.0
A2 +C2H =A2C2H-2 +H 5.000E+13 0.0 0.0
A2 +C2H3 =A2C2H3-2+H 7.940E+11 0.0 26.77
A2 +C6H5 =FLTHN +H2 +H 8.510E+11 0.0 16.68
**** times 10
A2 +C6H5 =A2C6H5-2+H 2.220E+84-20.79 196.20
A2 +C7H7 =BENZNAP +H 1.200E+12 0.0 66.70
**** times 100
A2 +A1C2H* =BAA3L +H 8.510E+13 0.0 16.68
**** times 100
A2 +A1C2H* =CRYSN +H 8.510E+13 0.0 16.68
**** times 100
A2 +A2-2 =BKFLTHN +H2 +H 4.000E+13 0.0 16.74
**** times 100
A2 +A2-1 =BKFLTHN +H2 +H 4.000E+13 0.0 16.74
A2-1 +H +M(2) =A2 +M(2) 1.000E+14 0.0 0.0
LOW 3.800E+127-31.434 78.24
TROE 0.2 122.8 478.4 5411.9
A2-1 +H =A2-2 +H 6.500E+45 -7.9 232.22
A2-1 +H =A2T1 +H2 4.400E-13 7.831 38.75
A2-1 +CH3 =A2CH2-1 +H 1.700E+36 -5.91 144.90
A2-1 +CH3 =A2CH3-1 3.050E+52-11.80 73.89
A2-1 +C2H2 =A2R5 +H 1.800E+33 -5.91 82.43
A2-1 +C2H2 =A2C2H-1 +H 9.600E-09 6.44 36.07
A2-1 +C2H2 =HA2R5 7.740E+45-10.85 56.36
A2-1 +C2H4 =A2R5H2 +H 2.510E+12 0.0 25.94
A2-1 +N-C4H3 =A3 1.510E+75-17.845 165.69
A2-1 +N-C4H3 =A3-2 +H 1.840E+72-16.129 241.14
A2-1 +C4H4 =A3 +H 9.900E+30 -5.07 88.29
A2-1 +C5H6 =A2 +C5H5 1.000E-01 4.0 0.0
A2-1 +C6H5 =FLTHN +H +H 1.390E+13 0.0 0.46
A2-1 +C6H6 =FLTHN +H2 +H 8.510E+11 0.0 16.68
A2-1 +A2-1 =PERYLN +H +H 1.390E+13 0.0 0.46
**** times 2
A2-1 +A2 =PERYLN +H2 +H 1.702E+12 0.0 16.68
A2-2 +H +M(2) =A2 +M(2) 1.000E+14 0.0 0.0
LOW 9.500E+129-32.132 78.66
TROE 0.87 492.7 117.9 5652.0
A2-2 +H =A2T2 +H2 4.400E-13 7.831 38.75
A2-2 +CH3 =A2CH2-2 +H 1.700E+36 -5.91 144.90
A2-2 +CH3 =A2CH3-2 3.050E+52-11.80 73.89
A2-2 +C2H2 =A2C2H-2 +H 1.010E+26 -3.44 84.65
A2-2 +C2H2 =A2C2H2-2 2.770E+46-10.90 59.46
A2-2 +C2H4 =A2C2H3-2+H 2.510E+12 0.0 25.94
A2-2 +C4H2 =A3L-2 4.670E+06 1.787 13.65
A2-2 +N-C4H3 =A3L 1.510E+75-17.845 165.69
A2-2 +N-C4H3 =A3L-2 +H 1.840E+72-16.129 241.14
A2-2 +C4H4 =A3 +H 9.900E+30 -5.07 88.29
**** times 10
A2-2 +C4H4 =A3L +H 9.900E+31 -5.07 88.29
A2-2 +C5H6 =A2 +C5H5 1.000E-01 4.0 0.0
A2-2 +C6H5 =A2C6H5-2 4.850E+27 -4.32 29.04
A2-2 +C6H6 =A2C6H5-2+H 2.220E+83-20.79 196.20
A2-2 +C7H7 =BENZNAP 1.190E+13 0.0 0.92
A2-2 +A1C2H =BAA3L +H 8.510E+11 0.0 16.68
A2-2 +A1C2H =CRYSN +H 8.510E+11 0.0 16.68
A2-2 +A2-1 =BKFLTHN +H +H 5.000E+12 0.0 0.0
C10H9 +H =C10H10 1.000E+14 0.0 0.0
C10H10 +H =C10H9 +H2 2.000E+05 2.5 10.46
**********************************
**** 12. C11 REACTIONS
**********************************
A2CH2-1 +H =A2CH3-1 1.000E+14 0.0 0.0
A2CH3-1 +H =A2 +CH3 1.200E+13 0.0 21.54
A2CH3-1 +H =A2CH2-1 +H2 3.980E+02 3.44 13.05
A2CH2-2 +H =A2CH3-2 1.000E+14 0.0 0.0
A2CH3-2 +H =A2 +CH3 1.200E+13 0.0 21.54
A2CH2-2 +CH3 =A2C2H5 1.190E+13 0.0 0.92
A2CH3-2 +H =A2CH2-2 +H2 3.980E+02 3.44 13.05
**********************************
**** 12. C12 REACTIONS
**********************************
A2C2H-1*+H +M(2) =A2C2H-1 +M(2) 1.000E+14 0.0 0.0
LOW 9.500E+129-32.132 78.66
TROE 0.87 492.7 117.9 5652.0
A2C2H-1*+C2H2 =A3-4 2.000E+72-17.74 153.14
A2C2H-1*+C2H2 =A2C2H)2 +H 4.800E+29 -4.59 108.79
A2C2H-1*+C6H6 =CRYSN +H 8.510E+11 0.0 16.68
A2C2H-1*+A1C2H =BAPYR +H 8.510E+11 0.0 16.68
A2C2H-2*+H +M(2) =A2C2H-2 +M(2) 1.000E+14 0.0 0.0
LOW 3.800E+127-31.434 78.24
TROE 0.2 122.8 478.4 5411.9
A2C2H-2*+C2H2 =A3-1 2.000E+72-17.74 153.14
A2C2H-2*+C2H2 =A2C2H)2 +H 4.800E+29 -4.59 108.79
A2C2H-1 +H =A2C2H2-1 3.300E+51-11.72 79.08
A2C2H-1 +H =A2C2H-1*+H2 2.500E+14 0.0 66.95
A2C2H-1 +H =A2R5 +H 1.000E+40 -7.79 87.87
A2C2H-1 +C2H =A2C2H)2 +H 5.000E+13 0.0 0.0
A2C2H-1 +A1C2H* =BAPYR +H 8.510E+11 0.0 16.68
A2C2H-2 +H =A2C2H-2*+H2 2.500E+14 0.0 66.95
A2C2H-2 +H =A2C2H-23+H2 3.230E+07 2.095 66.29
A2C2H-2 +C2H =A2C2H)2 +H 5.000E+13 0.0 0.0
A2C2H2-1=A2R5 +H 2.200E+50-11.80 167.79
A2C2H2-2+H =A2C2H-2 +H2 1.210E+14 0.0 0.0
A2C2H2-2=A2C2H-2 +H 2.740E+22 -4.061 154.98
A2C2H2-2+H =A2C2H3-2 4.800E+10 -0.74 -31.93
A2C2H3-2+H =A2C2H2-2+H2 2.000E+07 2.0 25.11
A2R5 +H =A2R5-1 +H2 3.230E+07 2.095 82.85
A2R5 +H =A2R5-3 +H2 3.230E+07 2.095 66.29
A2R5 +H =A2R5-4 +H2 3.230E+07 2.095 66.29
A2R5 +H =A2R5-5 +H2 3.230E+07 2.095 66.29
A2R5-1 +H =A2R5 1.240E+33 -5.68 37.28
A2R5-1 +C2H2 =A2R5E-1 +H 1.120E+26 -3.42 87.32
A2R5-3 +H =A2R5 1.150E+32 -5.37 35.40
A2R5-3 +C2H2 =A2R5E-3 +H 1.120E+26 -3.42 87.32
A2R5-4 +H =A2R5 1.150E+32 -5.37 35.40
A2R5-4 +C2H2 =A2R5E-4 +H 1.120E+26 -3.42 87.32
A2R5-5 +H =A2R5 1.150E+32 -5.37 35.40
A2R5-5 +C2H2 =A2R5E-5 +H 2.500E-09 6.63 37.03
BIPHENH =BIPHEN +H 1.300E+16 0.0 138.93
BIPHENH +H =BIPHEN +H2 6.020E+12 0.0 0.0
BIPHENH =A2R5 +H 1.000E+13 0.0 83.68
A2C2H-23+C2H2 =A3L-1 4.670E+06 1.787 13.65
A2C2H5 +H =A2C2H3-2+H2 +H 8.000E+13 0.0 34.46
HA2R5 +H =A2R5 +H2 1.810E+12 0.0 0.0
HA2R5 +H =A2R5H2 1.000E+14 0.0 0.0
A2R5H2 +H =HA2R5 +H2 5.400E+02 3.5 21.80
A2R5H2 =A2R5 +H2 4.700E+13 0.0 257.75
P2 +H =P2- +H2 3.230E+07 2.095 66.29
P2- +H =P2 1.170E+33 -5.57 36.65
P2- +C2H2 =A3 +H 4.600E+06 1.97 30.54
**********************************
**** 14. C13 REACTIONS
**********************************
BENZYLB*=fluorene+H 4.000E+11 0.0 16.74
BENZYLB +H =BENZYLB*+H2 3.230E+07 2.095 66.29
**********************************
**** 15. C14 REACTIONS
**********************************
A2C2H)2 +H =A3-1 2.000E+75-18.06 144.35
A2C2H)2 +H =A3-4 2.000E+75-18.06 144.35
A3-1 +H +M(2) =A3 +M(2) 1.000E+14 0.0 0.0
LOW 4.000E+148-37.505 86.19
TROE 1.000 1.0 144.9 5632.8
A3-1 +H =A3-4 +H 9.300E+58-11.45 297.50
**** times 20
A3-1 +C2H2 =A3R5 +H 7.180E+23 -2.498 67.62
A3-1 +C2H2 =A3C2H-1 +H 1.010E-10 7.06 38.53
A3-1 +C4H4 =CRYSN +H 9.900E+31 -5.07 88.29
A3-1 +C6H5 =BBFLTHN +H +H 5.000E+12 0.0 0.0
A3-1 +C6H6 =BBFLTHN +H2 +H 4.000E+11 0.0 16.74
A3-2 +H =A3 2.150E+19 -1.55 7.11
A3-2 +C2H2 =A3C2H-2 +H 1.030E+26 -3.36 93.09
A3-2 +C4H4 =CRYSN +H 9.900E+31 -5.07 88.29
A3-4 +H +M(2) =A3 +M(2) 1.000E+14 0.0 0.0
LOW 2.100E+139-34.803 76.99
TROE 1.000 1.0 171.4 4992.8
A3-4 +CH3 =A3CH3 1.070E+65-15.64 95.06
A3-4 +CH3 =A3CH2 +H 5.000E+13 0.0 0.0
A3-4 +C2H2 =A3C2H2-4 6.500E+53-12.59 112.55
A3-4 +C2H2 =A3C2H-4 +H 3.400E+12 0.34 82.43
**** times 20
A3-4 +C2H2 =A4 +H 3.740E+08 1.787 13.65
A3-4 +C6H5 =BEPYR +H +H 1.390E+13 0.0 0.46
A3-4 +C6H6 =BEPYR +H2 +H 8.510E+11 0.0 16.68
A3-9 +H =A3 2.150E+19 -1.55 7.11
A3-9 +C6H5 =BBFLTHN +H +H 5.000E+12 0.0 0.0
A3-9 +C6H6 =BBFLTHN +H2 +H 4.000E+11 0.0 16.74
**** times 50
A3 +H =A3-1 +H2 1.615E+09 2.095 66.29
A3 +H =A3-2 +H2 3.230E+07 2.095 66.29
**** times 50
A3 +H =A3-4 +H2 1.615E+09 2.095 66.29
A3 +H =A3-9 +H2 3.230E+07 2.095 66.29
A3 +C2H =A3C2H-4 +H 5.000E+13 0.00 0.0
**** times 10
A3 +C6H5 =BEPYR +H2 +H 8.510E+11 0.0 16.68
**** times 2
A3L =A3 1.600E+13 0.0 271.97
A3L +H =A3L-1 +H2 3.230E+07 2.095 66.29
A3L +H =A3L-2 +H2 3.230E+07 2.095 66.29
A3L +H =A3L-9 +H2 3.230E+07 2.095 66.29
A3L-1 +H =A3L 2.150E+19 -1.55 7.11
A3L-1 +C2H2 =A3LR5 +H 3.590E+22 -2.498 67.62
A3L-1 +C2H2 =A3LE-1 +H 1.010E-10 7.06 38.53
**** times 10
A3L-1 +C4H4 =BAA3L +H 9.900E+31 -5.07 88.29
A3L-2 +H =A3L 2.150E+19 -1.55 7.11
A3L-2 +C2H2 =A3LE-2 +H 1.030E+26 -3.36 93.09
**** times 10
A3L-2 +C4H4 =BAA3L +H 9.900E+31 -5.07 88.29
A3L-9 +H =A3L 2.150E+19 -1.55 7.11
A3L-9 +C2H2 =A3LR5 +H 1.870E+07 1.787 13.65
A2R5E-3 +H =A2R5E34 +H2 3.230E+07 2.095 66.29
A2R5E-4 +H =A2R5E45 +H2 3.230E+07 2.095 66.29
A2R5E-4 +H =A2R5E43 +H2 3.230E+07 2.095 66.29
A2R5E-5 +H =A2R5E54 +H2 3.230E+07 2.095 66.29
A2R5E45 +C2H2 =A3R5-7* 1.870E+07 1.787 13.65
A2R5E54 +C2H2 =A3R5-10* 1.870E+07 1.787 13.65
A2R5E34 +C2H2 =A3LR5* 1.870E+07 1.787 13.65
A2R5E43 +C2H2 =A3LR5* 1.870E+07 1.787 13.65
A2R5E-1 +H =A2R5E12 +H2 3.230E+07 2.095 66.29
A2R5E12 +C2H2 =FLTHN-7 1.870E+07 1.787 13.65
**********************************
**** 16. C15 REACTIONS
**********************************
A3CH2 =A3CH2R +H 1.000E+13 0.0 50.21
A3CH2 +H =A3CH3 1.000E+14 0.0 0.0
A3CH3 +H =A3CH2 +H2 3.980E+02 3.44 13.05
A3CH3 +H =A3 +CH3 5.780E+13 0.0 33.85
**********************************
**** 17. C16 REACTIONS
**********************************
A3C2H-4 +H =A3C2H2-4 1.400E+56-13.21 87.87
A3C2H-4 +H =A4 +H 4.200E+27 -4.25 45.61
A3C2H2-4=A4 +H 6.300E+59-14.70 154.40
A3C2H-1 +H =A3C2H-1*+H2 3.230E+07 2.095 66.29
A3C2H-2 +H =A3C2H-2*+H2 3.230E+07 2.095 66.29
A3C2H-1*+C2H2 =CRYSN-4 1.870E+07 1.787 13.65
A3C2H-2*+C2H2 =CRYSN-1 5.600E+05 2.282 13.64
A3LE-1 +H =A3LE-1P +H2 3.230E+07 2.095 66.29
A3LE-2 +H =A3LE-2S +H2 3.230E+07 2.095 66.29
A3LE-2 +H =A3LE-2P +H2 3.230E+07 2.095 66.29
A3LE-1P +C2H2 =BAA3L-1 1.870E+07 1.787 13.65
A3LE-2S +C2H2 =BAA3L-4 1.870E+07 1.787 13.65
A3LE-2P +C2H2 =A4L* 1.870E+07 1.787 13.65
A4-1 +H =A4 5.000E+13 0.0 0.0
A4-1 +C2H2 =A4C2H-1 +H 1.190E-09 6.78 43.81
A4-1 +C2H2 =CPCDA4 +H 3.800E+22 -2.475 70.63
A4-1 +C6H5 =INA4 +H +H 5.000E+12 0.0 0.0
A4-1 +C6H6 =INA4 +H2 +H 4.000E+11 0.0 16.74
A4-2 +H =A4 5.000E+13 0.0 0.0
A4-2 +C2H2 =A4C2H-2 +H 1.260E+29 -4.17 102.35
A4-4 +H =A4 5.000E+13 0.0 0.0
A4-4 +C2H2 =A4C2H-4 +H 1.190E-09 6.78 43.81
A4-4 +C2H2 =CPCDA4 +H 3.800E+22 -2.475 70.63
FLTHN +H =FLTHN-1 +H2 3.230E+07 2.095 66.29
FLTHN +H =FLTHN-3 +H2 3.230E+07 2.095 66.29
FLTHN-1 +H =FLTHN 5.000E+13 0.0 0.0
FLTHN-1 +C2H2 =BGHIF +H 1.870E+07 1.787 13.65
FLTHN-3 +H =FLTHN 5.000E+13 0.0 0.0
FLTHN-3 +C2H2 =CPCDFL +H 3.800E+22 -2.475 70.63
FLTHN-7 +H =FLTHN 5.000E+13 0.0 0.0
FLTHN-7 +C2H2 =BGHIF +H 1.870E+07 1.787 13.65
A4 +H =A4-1 +H2 3.230E+07 2.095 66.29
**** times 100
A4 +H =A4-2 +H2 3.230E+09 2.095 66.29
**** times 40
A4 +H =A4-4 +H2 1.292E+09 2.095 66.29
A2C6H4-1=FLTHN 8.510E+12 0.0 263.02
A2C6H4-2=A3LR5 8.510E+12 0.0 263.02
A3R5 =FLTHN 8.510E+12 0.0 263.02
A3R5-7* +H =A3R5 5.000E+13 0.0 0.0
A3R5-10*+H =A3R5 5.000E+13 0.0 0.0
A3LR5* +H =A3LR5 5.000E+13 0.0 0.0
A3LR5 =A3R5 8.510E+12 0.0 263.02
A3LR5 =FLTHN 8.510E+12 0.0 263.02
**********************************
**** 18. C17 REACTIONS
**********************************
BENZNAP*=C17H12 +H 1.000E+13 0.0 50.21
BENZNAP +H =BENZNAP*+H2 3.230E+07 2.095 66.29
**********************************
**** 19. C18 REACTIONS
**********************************
A4C2H-1*+C2H2 =BAPYR* 1.870E+07 1.787 13.65
A4C2H-2*+C2H2 =BAPYR* 1.870E+07 1.787 13.65
A4C2H-4*+C2H2 =BEPYR* 1.870E+07 1.787 13.65
A4C2H-1 +H =A4C2H-1*+H2 3.230E+07 2.095 66.29
**** times 100
A4C2H-2 +H =A4C2H-2*+H2 3.230E+09 2.095 66.29
**** times 40
A4C2H-4 +H =A4C2H-4*+H2 1.920E+09 2.095 66.29
A4L* +H =A4L 5.000E+13 0.0 0.0
**** times 100
BAA3L +H =BAA3L-1 +H2 3.230E+09 2.095 66.29
BAA3L +H =BAA3L-12+H2 3.230E+09 2.095 66.29
BAA3L +H =BAA3L-4 +H2 3.230E+07 2.095 66.29
BAA3L-1 +H =BAA3L 5.000E+13 0.0 0.0
**** times 10
BAA3L-1 +C2H2 =BAPYR +H 1.870E+08 1.787 13.65
BAA3L-12+H =BAA3L 5.000E+13 0.0 0.0
BAA3L-12+C2H2 =BAPYR +H 1.870E+08 1.787 13.65
BAA3L-4 +H =BAA3L 5.000E+13 0.0 0.0
BGHIF +H =BGHIF- +H2 3.230E+07 2.095 66.29
BGHIF- +C2H2 =CPBFL +H 3.800E+22 -2.475 70.63
BGHIF- +C2H2 =COR +H 1.870E+07 1.787 13.65
CPCDA4 +H =CPCDA4* +H2 3.230E+07 2.095 66.29
CPCDA4* +C2H2 =DCPA4 +H 3.800E+22 -2.475 70.63
CPCDA4* +C2H2 =COR +H 3.800E+22 -2.475 70.63
CPCDFL +H =CPCDFL* +H2 3.230E+07 2.095 66.29
CPCDFL* +C2H2 =CPBFL +H 1.870E+07 1.787 13.65
CRYSN-1 +H =CRYSN 5.000E+13 0.0 0.0
**** times 10
CRYSN-4 +H =CRYSN 5.000E+13 0.0 0.0
CRYSN-4 +C2H2 =BAPYR +H 1.870E+08 1.787 13.65
CRYSN-5 +H =CRYSN 5.000E+13 0.0 0.0
CRYSN-5 +C2H2 =BAPYR +H 1.870E+08 1.787 13.65
CRYSN +H =CRYSN-1 +H2 3.230E+07 2.095 66.2
**** times 100
CRYSN +H =CRYSN-4 +H2 3.230E+09 2.095 66.2
CRYSN +H =CRYSN-5 +H2 3.230E+09 2.095 66.2
**********************************
**** 20. C20 REACTIONS
**********************************
BBFLTHN +H =BBFLTHN*+H2 3.230E+07 2.095 66.29
BBFLTHN*+C2H2 =INA4 +H 1.870E+07 1.787 13.65
BAPYR +H =BAPYR* +H2 3.230E+07 2.095 66.29
BAPYR* +H =BAPYR 5.000E+13 0.0 0.0
BAPYR* +C2H2 =ANTHAN +H 1.870E+07 1.787 13.65
**** times 100
BEPYR +H =BEPYR* +H2 3.230E+09 2.095 66.29
BEPYR* +H =BEPYR 5.000E+13 0.0 0.0
**** times 100
BEPYR* +C2H2 =BGHIPE +H 1.870E+09 1.787 13.65
**** times 100
PERYLN +H =PERYLN* +H2 3.230E+09 2.095 66.29
**** times 100
PERYLN* +C2H2 =BGHIPE +H 1.870E+09 1.787 13.65
CPBFL +H =CPBFL* +H2 3.230E+07 2.095 66.29
CPBFL* +C2H2 =COR1 +H 1.870E+07 1.787 13.65
COR +H =COR- +H2 3.230E+07 2.095 66.2
COR- +C2H2 =COR1 +H 3.800E+22 -2.475 70.63
**********************************
**** 21. C22 REACTIONS
**********************************
**** times 100
BGHIPE +H =BGHIPE* +H2 3.230E+09 2.095 66.29
BGHIPE* +C2H2 =CPBPER +H 3.800E+22 -2.475 70.63
**** times 100
BGHIPE* +C2H2 =CORONEN +H 1.870E+09 1.787 13.65
COR1 +H =COR1- +H2 3.230E+07 2.095 66.2
COR1- +C2H2 =COR2 +H 1.870E+07 1.787 13.65
**********************************
**** 22. C24 REACTIONS
**********************************
COR2 +H =COR2- +H2 3.230E+07 2.095 66.2
COR2- +C2H2 =COR3 +H 1.870E+07 1.787 13.65
**********************************
**** 23. C26 REACTIONS
**********************************
COR3 +H =COR3- +H2 3.230E+07 2.095 66.2
COR3- +C2H2 =COR4 +H 1.870E+07 1.787 13.65
**********************************
**** 24. C28 REACTIONS
**********************************
COR4 +H =COR4- +H2 3.230E+07 2.095 66.2
COR4- +C2H2 =HB +H 1.870E+07 1.787 13.65
************************
END
000 COMPLEX REACTIONS
END
COLLISION EFFICIENCIES:
M(1) =H2 +CH4 +C2H6
0.0 2.0 3.0
M(2) =H2 +CH4 +C2H6
2.0 2.0 3.0
END
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