!------------------------------------------------------------------------------------
!
! COUNTERFLOW FLAME EXPERIMENTS AND CHEMICAL KINETIC MODELING
! OF DIMETHYL ETHER/METHANE MIXTURES
!
! HPMech v3.3 (no NOx)
!
! C.B. Reuter, R. Zhang, O.R. Yehia, Y. Rezgui, Y. Ju
!
!------------------------------------------------------------------------------------
ELEMENTS
C H O N AR HE
END
SPECIES
H H2 CH2 CH2(S) CH3
O CH4 OH H2O C2H
C2H2 C2H3 CO N2 C2H4
HCO C2H5 CH2O C2H6 CH2OH
CH3O O2 CH3OH HO2 H2O2
HCCO CH2CO HCCOH CH2HCO CH3CO
CO2 CH3HCO OCHO CH3CHOH C2H4OH
CH3CH2O CH3OCH2 HOCHO CH3OCH3 C2H5OH
HOCH2O CH3OCO CH3OCHO CH3OCH2O CH3OCH2OH
OCH2OCHO HOCH2OCO HOC2H4O2 CH3OCH2O2 CH2OCH2O2H
CH3OCH2O2H HO2CH2OCHO O2CH2OCH2O2H AR HE
C CH HCOH C2O CH3O2 CH3O2H C3H2 C3H2SING c-C3H2 C3H3 C3H6 C4H2 pC3H4 aC3H4
c-C3H4 aC3H5 sC3H5 tC3H5 nC4H3 iC4H3 C4H4 nC4H5 iC4H5 C4H6-13 C4H6-12 C4H6-2
H2CC CH2CHOH C5H2 HCCCHCCH H2CCCCCH C4H5C2H FC6H6 C6H6 C6H5 C2H3CHO C5H6 C2H3CO
C4H H2C4O C6H2 C6H3 l-C6H4 o-C6H4 CH3CHCHCO CH2CHCHCHO C5H5 C6H5O C6H4O2 C6H5OH
C5H4O C5H5O O(SING) O2(SING) O3 C2H4O2#4 CH2OCHO HOCO
C2H5O C2H5O2 C2H5O2H C2H4O2H C2H5CO C2H5CHO CH3CO2 CH3CO3 CH3CO3H
OCH2O2H HOCH2O2 HOCH2O2H O2CHO HO2CHO nC3H7 iC3H7 C3H8
END
REACTIONS
H+O2<=>O+OH 1.040E+14 0.000 15286.0
O+H2<=>H+OH 3.818E+12 0.000 7948.0
DUPLICATE
O+H2<=>H+OH 8.792E+14 0.000 19170.0
DUPLICATE
H2+OH<=>H2O+H 2.160E+08 1.510 3430.0
OH+OH<=>O+H2O 3.340E+04 2.420 -1930.0
H2+M<=>H+H+M 4.577E+19 -1.400 104380.0
H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ AR/0.0/ HE/0.0/
H2+AR<=>H+H+AR 5.840E+18 -1.100 104380.0
H2+HE<=>H+H+HE 5.840E+18 -1.100 104380.0
O+O+M<=>O2+M 6.165E+15 -0.500 0.0
H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ AR/0.0/ HE/0.0/
O+O+AR<=>O2+AR 1.886E+13 0.000 -1788.0
O+O+HE<=>O2+HE 1.886E+13 0.000 -1788.0
O+H+M<=>OH+M 4.714E+18 -1.000 0.0
H2/2.5/ H2O/12/ AR/0.75/ HE/0.75/ CO/1.9/ CO2/3.8/
H2O+M<=>H+OH+M 6.064E+27 -3.322 120790.0
H2/3.0/ H2O/0.0/ HE/1.10/ N2/2.00/ O2/1.5/
CO/1.9/ CO2/3.8/
H2O+H2O<=>H+OH+H2O 1.006E+26 -2.440 120180.0
H+O2(+M)<=>HO2(+M) 4.651E+12 0.440 0.0
LOW / 6.366E+20 -1.720 524.8 /
TROE / 0.500 1.00E-30 1.00E+30 /
H2/2.0/ H2O/14/ O2/0.78/ CO/1.9/ CO2/3.8/ AR/0.00/ HE/0.0/ C2H2/3.0/
HO2+H<=>H2+O2 2.750E+06 2.090 -1451.0
HO2+H<=>OH+OH 7.079E+13 0.000 295.0
HO2+O<=>O2+OH 2.850E+10 1.000 -723.93
HO2+OH<=>H2O+O2 2.890E+13 0.000 -497.0
HO2+HO2<=>H2O2+O2 4.200E+14 0.000 11982.0
DUPLICATE
HO2+HO2<=>H2O2+O2 1.300E+11 0.000 -1629.3
DUPLICATE
H2O2(+M)<=>OH+OH(+M) 2.000E+12 0.900 48749.0
LOW / 2.490E+24 -2.300 48749.0/
TROE / 0.430 1.00E-30 1.00E+30/
H2O/7.5/ CO2/1.6/ N2/1.5/ O2/1.2/ HE/0.65/ H2O2/7.7/
H2/3.7/ CO/2.8/
H2O2+H<=>H2O+OH 2.410E+13 0.000 3970.0
H2O2+H<=>HO2+H2 4.820E+13 0.000 7950.0
H2O2+O<=>OH+HO2 9.550E+06 2.000 3970.0
H2O2+OH<=>HO2+H2O 1.740E+12 0.000 318.0
DUPLICATE
H2O2+OH<=>HO2+H2O 7.590E+13 0.000 7270.0
DUPLICATE
CO+O(+M)<=>CO2(+M) 1.800E+10 0.000 2384.0
LOW / 4.436E+23 -2.637 4081.9 /
H2/2.0/ O2/1.0/ H2O/12.0/ CH4/2.0/ CO/1.75/ CO2/3.6/ C2H6/3.0/ AR/0.7/ HE/0.7/
CO+O2<=>CO2+O 2.530E+12 0.000 47693.0
CO+HO2<=>CO2+OH 1.570E+05 2.180 17940.0
CO+OH<=>CO2+H 7.046E+04 2.053 -276.2
DUPLICATE
CO+OH<=>CO2+H 5.757E+12 -0.664 331.9
DUPLICATE
HCO(+M)=H+CO(+M) 9.92E+16 -1.02 19895
LOW /1.81E+22 -2.42 19377.6/
TROE /0.856 3234 111.8 3573.2/
H2/2.0/ H2O/12.0/ CO/1.50/ CO2/3.0/ AR/0.60/ N2/1.0/ HE/0.80/ CH2O/4.0/ C2H2/3.0/
HCO+O2<=>CO+HO2 1.204E+10 0.807 -727.0
HCO+H<=>CO+H2 0.900E+14 0.000 0.0
HCO+O<=>CO+OH 3.020E+13 0.000 0.0
HCO+O<=>CO2+H 3.000E+13 0.000 0.0
HCO+OH<=>CO+H2O 3.020E+13 0.000 0.0
HCO+HO2=>CO2+H+OH 1.500E+13 0.000 0.0
HCO+HO2<=>CO+H2O2 1.500E+13 0.000 0.0
HCO+HCO<=>CH2O+CO 2.000E+13 0.000 0.0
HCO+HCO=>H2+CO+CO 1.000E+13 0.000 0.0
CH2O+O2<=>HCO+HO2 5.080E+14 0.000 46297.0
CH2O(+M)<=>CO+H2(+M) 4.255E+13 0.000 71976.4
LOW / 5.055E+38 -6.100 93995.0 /
H2/2.50/ H2O/12.0/ AR/0.87/ CO/1.90/ CO2/3.80/
CH4/2.00/ C2H6/3.00/
CH2O(+M)<=>HCO+H(+M) 9.195E+15 0.000 87734.0
LOW / 1.454E+36 -5.500 93995.0 /
H2/2.50/ H2O/12.0/ AR/0.87/ CO/1.90/ CO2/3.80/
CH4/2.00/ C2H6/3.00/
CH2O+OH<=>HCO+H2O 7.82E+07 1.63 -1055.
CH2O+H<=>HCO+H2 5.741E+07 1.900 2742.0
CH2O+O<=>HCO+OH 4.155E+11 0.570 2762.2
CH2O+HO2<=>HCO+H2O2 4.095E+04 2.500 10214.0
HCOH+O=>CO+H2O 8.00E+13 0.000 0.0
HCOH+OH=>CO+H2O+H 3.00E+13 0.000 0.0
HCOH+H<=>HCO+H2 3.00E+13 0.000 0.0
HCOH+H<=>CH2O+H 9.00E+13 0.000 0.0
HCOH+O2=HCO+HO2 6.00E+12 0.000 0.0
C+OH<=>CO+H 5.000E+13 0.000 0.0
C+O2<=>CO+O 6.624E+13 0.000 635.9
CH+H<=>C+H2 1.200E+14 0.000 0.0
CH+O<=>CO+H 3.974E+13 0.000 0.0
CH+OH<=>HCO+H 3.000E+13 0.000 0.0
CH+O2<=>CO2+H 9.900E+09 1.008 -489.9
CH+O2<=>CO+OH 6.600E+09 1.008 -489.9
CH+O2<=>HCO+O 6.600E+09 1.008 -489.9
CH+O2=>CO+O+H 9.900E+09 1.008 -489.9
CH+H2O<=>H+CH2O 4.577E+16 -1.420 0.0
CH+CO2<=>HCO+CO 6.383E+07 1.510 -715.4
CH+CH2O<=>H+CH2CO 9.635E+13 0.000 -516.7
CH+CO(+M)<=>HCCO(+M) 3.794E+00 2.500 0.0
LOW / 1.463E+15 -0.400 0.0 /
TROE / 0.600 10.0 1.0E+07 1.0E+06 /
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
CH2+M=>C+H2+M 1.148E+14 0.000 55820.0
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
CH2+H<=>CH+H2 1.205E+14 0.000 0.0
CH2+O=>CO+H+H 1.228E+14 0.000 536.5
CH2+O<=>CO+H2 8.190E+13 0.000 536.5
CH2+OH<=>CH+H2O 8.630E+05 2.019 6776.0
CH2+OH<=>CH2O+H 2.860E+13 0.123 -162.0
CH2+O2=>CO+OH+H 5.673E+12 0.000 1779.2
CH2+O2=>CO2+H+H 3.991E+12 0.000 1766.6
CH2+O2<=>CO2+H2 3.968E+12 0.000 1908.4
CH2+O2<=>CH2O+O 2.328E+12 0.000 1501.3
CH2+O2<=>CO+H2O 6.130E+11 0.000 1453.0
CH2+H2<=>H+CH3 4.408E+05 2.300 7350.7
CH2+HO2<=>OH+CH2O 2.000E+13 0.000 0.0
CH2+CH2O<=>CH3+HCO 7.407E-02 4.210 1623.9
CH2+CH<=>H+C2H2 4.000E+13 0.000 0.0
CH2+CH2<=>C2H2+2H 7.094E+13 0.002 8.9
CH2+CH2<=>C2H2+H2 1.773E+13 0.002 8.9
CH2+CO2<=>CH2O+CO 2.350E+10 0.000 0.0
CH2+CO(+M)=CH2CO(+M) 8.10E+11 0.50 4510.
LOW /2.69E+33 -5.11 7095./
TROE/ 0.5907 275.0 1226.00 5185.00 /
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ HE/0.8/
CH2(S)+HE<=>CH2+HE 5.37E+11 0.52 781.
CH2(S)+AR<=>CH2+AR 1.15E+09 1.35 -393.
CH2(S)+N2<=>CH2+N2 1.10E+10 1.13 -280.
CH2(S)+H2<=>CH2+H2 1.07E+12 0.52 781.
CH2(S)+O2<=>CH2+O2 1.10E+10 1.13 -280.
CH2(S)+CO<=>CH2+CO 1.10E+10 1.13 -280.
CH2(S)+H2O<=>CH2+H2O 5.56E+10 1.05 -274.
CH2(S)+CO2<=>CH2+CO2 2.78E+10 1.05 -274.
CH2(S)+C2H2<=>CH2+C2H2 0.80E+15 -0.57 -4.85
CH2(S)+C2H4<=>CH2+C2H4 1.144E+13 0.000 -556.4
CH2(S)+CH4<=>CH2+CH4 1.867E+12 0.000 -496.8
CH2(S)+M<=>CH2+M 1.200E+13 0.000 0.0
HE/0.0/ AR/0.0/ N2/0.0/ H2/0.0/ O2/0.0/ H2O/0.0/ CO2/0.0/ CH4/0.0/
C2H2/0.0/ C2H4/0.0/ CO/0.0/
CH2(S)+H<=>CH+H2 3.000E+13 0.000 0.0
CH2(S)+O<=>H+CO+H 4.505E+13 0.000 0.0
CH2(S)+O<=>CO+H2 4.505E+13 0.000 0.0
CH2(S)+OH<=>CH2O+H 3.010E+13 0.000 0.0
CH2(S)+O2=>CO+OH+H 2.800E+13 0.000 0.0
CH2(S)+O2=>CO+H2O 1.200E+13 0.000 0.0
CH2(S)+H2<=>CH3+H 6.311E+13 0.000 0.0
CH2(S)+HO2<=>CH2O+OH 3.010E+13 0.000 0.0
CH2(S)+H2O2<=>CH3O+OH 3.010E+13 0.000 0.0
CH2(S)+CO2<=>CH2O+CO 3.000E+12 0.000 0.0
CH2(S)+H2O<=>CH2O+H2 6.820E+10 0.250 -935.0
CH3+M=>CH2+H+M 4.030E+15 0.000 84468.0
H2/2.0/ H2O/6.0/ CH4/3.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
AR/0.7/ HE/0.70/ CH3OH/3.0/
CH3+M=>CH+H2+M 3.569E+15 0.000 81046.0
H2/2.0/ H2O/6.0/ CH4/3.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
AR/0.7/ HE/0.70/ CH3OH/3.0/
CH3+O<=>CH2O+H 6.745E+13 0.000 0.0
CH3+O=>CO+H2+H 1.686E+13 0.000 0.0
CH3+OH<=>CH2+H2O 4.293E+04 2.568 3998.2
CH3+OH<=>CH2(S)+H2O 4.283E+15 -0.860 1887.5
PLOG / 0.001316 1.132E+14 -0.458 -496.2 /
PLOG / 0.013158 2.234E+14 -0.538 -220.4 /
PLOG / 0.131579 1.160E+15 -0.727 600.5 /
PLOG / 1.315789 4.283E+15 -0.860 1887.5 /
PLOG / 13.157895 4.385E+14 -0.539 2931.7 /
PLOG / 131.578947 6.091E+10 0.596 2922.8 /
CH3+OH<=>H2+CH2O 3.555E+12 -0.532 2042.3
PLOG / 0.001316 3.887E+09 0.254 -1220.7 /
PLOG / 0.013158 1.988E+10 0.060 -624.4 /
PLOG / 0.131579 2.815E+11 -0.250 498.3 /
PLOG / 1.315789 3.555E+12 -0.532 2042.3 /
PLOG / 13.157895 2.192E+12 -0.432 3415.4 /
PLOG / 131.578947 2.360E+09 0.453 3791.0 /
CH3+OH<=>H+CH2OH 1.006E+10 0.942 3295.0
PLOG / 0.001316 8.442E+09 0.963 3230.4 /
PLOG / 0.013158 8.442E+09 0.963 3230.4 /
PLOG / 0.131579 1.006E+10 0.942 3295.0 /
PLOG / 1.315789 5.601E+10 0.740 3971.0 /
PLOG / 13.157895 5.531E+11 0.486 5443.5 /
PLOG / 131.578947 2.525E+10 0.909 6402.1 /
CH3+OH<=>H+CH3O 7.926E+08 1.065 11859.0
PLOG / 0.001316 7.893E+08 1.065 11858.5 /
PLOG / 0.013158 7.893E+08 1.065 11858.5 /
PLOG / 0.131579 7.893E+08 1.065 11858.5 /
PLOG / 1.315789 7.926E+08 1.065 11859.0 /
PLOG / 13.157895 1.029E+11 1.034 11969.8/
PLOG / 131.578947 3.073E+11 0.922 12980.5 /
CH3+OH<=>H2+HCOH 6.533E+11 0.112 931.9
PLOG / 0.001316 1.210E+09 0.830 -2322.5 /
PLOG / 0.013158 6.397E+09 0.633 -1700.9 /
PLOG / 0.131579 8.000E+10 0.340 -564.6 /
PLOG / 1.315789 6.533E+11 0.112 931.9 /
PLOG / 13.157895 2.064E+11 0.295 2199.8 /
PLOG / 131.578947 9.402E+07 1.286 2423.8 /
CH3+O2<=>CH3O+O 7.546E+12 0.000 28320.0
CH3+O2<=>CH2O+OH 6.383E+11 0.000 13594.0
CH3+HO2<=>CH3O+OH 1.000E+12 0.269 -687.5
CH3+HO2<=>CH4+O2 1.155E+05 2.228 -3022.5
HCO+CH3<=>CH4+CO 6.310E+16 -1.230 500.0
CH2O+CH3<=>HCO+CH4 3.190E+01 3.360 4312.0
CH3+CH<=>H+C2H3 3.000E+13 0.000 0.0
CH3+CH2(S)<=>H+C2H4 1.200E+13 0.000 -570.0
CH3+CH2<=>H+C2H4 1.200E+15 -0.343 153.1
CH4+CH2(S)<=>CH3+CH3 1.867E+13 0.000 -496.8
CH3+CH3(+M)=C2H6(+M) 8.88E+16 -1.16 774.5
LOW /3.74E+50 -9.93 7389./
TROE /0.7548 158.0 32828. 46564. /
H2/3.0/ H2O/9.0/ CO/2.25/ CO2/3.0/ AR/1.0/ CH4/3.0/ C2H6/4.5/ N2/1.50/
2CH3=H+C2H5 5.39E+13 0 16055
CH3O(+M)<=>H+CH2O(+M) 1.320E+16 -0.588 26772.1
LOW / 1.326E+25 -2.981 22465.4 /
TROE / 0.1698 1.00E-09 807456.9 7029.4 /
H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/
AR/0.663/ C2H6/3.00/ N2/1.00/
CH3O+H<=>CH2O+H2 3.500E+08 1.601 -708.6
DUPLICATE
CH3O+H<=>CH2O+H2 3.320E+03 2.316 -1815.2
DUPLICATE
CH3O+H<=>CH2(S)+H2O 3.280E+12 0.088 -152.6
CH3O+O=OH+CH2O 8.00E+13 0.00 0.
CH3O+OH<=>CH2O+H2O 1.810E+13 0.000 0.0
CH3O+O2<=>CH2O+HO2 9.033E+13 0.000 11978.8
DUPLICATE
CH3O+O2<=>CH2O+HO2 2.168E+10 0.000 1748.7
DUPLICATE
CH3O+HO2<=>CH2O+H2O2 1.420E+04 1.506 6295.3
DUPLICATE
CH3O+HO2<=>CH2O+H2O2 7.566E-23 10.670 25357.9
DUPLICATE
CH3O+CO<=>CH3+CO2 1.570E+13 0.000 11804.0
CH3O+HCO<=>CH2O+CH2O 6.030E+12 0.000 0.0
CH3O+HCO<=>CH3OH+CO 9.040E+13 0.000 0.0
CH3O+CH2<=>CH2O+CH3 1.810E+13 0.000 0.0
CH3O+CH3<=>CH2O+CH4 2.410E+13 0.000 0.0
CH3O+CH3O<=>CH3OH+CH2O 2.000E+13 0.000 0.0
CH2OH(+M)<=>H+CH2O(+M) 1.211E-02 4.680 32592.0
LOW / 1.924E+29 -4.037 33697.4 /
TROE / 0.1680 1.0E-09 3619.5 10985.0 /
H2/2.0/ H2O/6.0/ CO/1.5/ CO2/2.0/ CH4/2.0/ AR/0.665/ C2H6/3.0/ N2/1.0/
CH3OH/3.0/
CH2OH<=>CH3O 3.797E+22 -4.681 35559.6
PLOG / 0.001 1.158E+18 -4.592 36016.8 /
PLOG / 0.010 3.810E+19 -4.628 35229.3 /
PLOG / 0.100 2.870E+21 -4.771 35111.7 /
PLOG / 1.000 3.797E+22 -4.681 35559.6 /
PLOG / 5.000 9.756E+22 -4.499 36133.6 /
PLOG / 10.000 1.449E+23 -4.416 36465.8 /
PLOG / 50.000 2.935E+23 -4.199 37365.2 /
PLOG / 100.000 2.423E+23 -4.046 37725.5 /
CH2OH+H<=>CH2O+H2 3.810E+06 1.870 134.0
DUPLICATE
CH2OH+H<=>CH2O+H2 6.840E+03 2.281 -1394.9
DUPLICATE
CH2OH+H<=>CH2(S)+H2O 9.020E+09 0.870 -785.9
CH2OH+H<=>CH3O+H 2.460E+07 1.595 7194.1
CH2OH+O<=>CH2O+OH 6.564E+13 0.000 -693.2
CH2OH+OH<=>H2O+CH2O 2.40E+13 0.000 0.0
CH2OH+O2<=>CH2O+HO2 8.130E+09 0.890 -866.1
CH2OH+HO2<=>CH2O+H2O2 1.222E+12 0.257 -689.4
CH2OH+HCO<=>CH2O+CH2O 1.500E+13 0.000 0.0
CH2OH+HCO<=>CH3OH+CO 1.200E+13 0.000 0.0
CH2OH+CH2<=>OH+C2H4 2.410E+13 0.000 0.0
CH2OH+CH2<=>CH2O+CH3 1.210E+13 0.000 0.0
CH2OH+CH3<=>CH2O+CH4 2.410E+12 0.000 0.0
CH2OH+CH3O<=>CH2O+CH3OH 2.400E+13 0.000 0.0
CH2OH+CH2OH<=>CH2O+CH3OH 9.033E+12 0.000 0.0
CH3+H(+M)=CH4(+M) 3.41E+14 0.00 291.95
LOW /8.87E+35 -5.52 4411.25/
TROE /0.419 3165.06 177.35 204926.14/
H2/3.0/ H2O/9.0/ CO/2.30/ CO2/4.0/ AR/1.0/ CH4/3.0/
C2H6/4.0/ N2/1.50/ HE/1.0/ CH3OH/6.0/ O2/1.5/
CH4+H<=>CH3+H2 4.083E+03 3.156 8755.6
CH4+O<=>CH3+OH 4.396E+05 2.500 6577.6
CH4+OH<=>CH3+H2O 1.000E+06 2.180 2446.0
CH4+HO2<=>CH3+H2O2 1.120E+01 3.740 21009.7
CH4+CH2<=>CH3+CH3 2.460E+06 2.000 8270.0
CH3OH(+M)<=>CH3+OH(+M) 2.084E+18 -0.615 92549.9
LOW/ 3.789E+52 -9.547 105313.1 /
TROE/ 0.250 956.7 4213.7 9443.3 /
AR/0.70/ H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/
CH3OH/3.0/
CH3OH(+M)<=>CH2(S)+H2O(+M) 5.246E+18 -1.135 91160.8
LOW/ 2.308E+50 -9.145 99105.9 /
TROE/ 0.539 1538.8 3.4 13918.0 /
AR/0.70/ H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/
CH3OH/3.0/
CH3OH(+M)<=>CH2O+H2(+M) 1.660E+12 0.199 89678.5
LOW/ 6.190E+25 -2.750 84971.1 /
TROE/ 0.014 737.2 740.2 206499.5 /
AR/0.70/ H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/
CH3OH/3.0/
CH3OH(+M)<=>HCOH+H2(+M) 2.917E+07 1.950 85035.0
LOW/ 7.786E+37 -5.994 86236.9 /
TROE/ 0.686 1718.3 153.9 499615.0 /
AR/0.70/ H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/
CH3OH/3.0/
CH3OH<=>CH2OH+H 4.089E+44 -9.428 107414.2
PLOG / 0.000132 3.110E+34 -7.944 111085.7 /
PLOG / 0.001320 1.110E+37 -8.323 109174.3 /
PLOG / 0.013200 6.733E+38 -8.510 107101.1 /
PLOG / 0.132000 4.959E+41 -8.969 105978.8 /
PLOG / 1.320000 4.086E+44 -9.382 107251.7 /
PLOG / 13.200000 4.080E+45 -9.263 109268.3 /
PLOG / 132.000000 7.717E+43 -8.419 110568.1 /
PLOG / 13200.000000 1.638E+29 -3.838 105074.8 /
CH3OH<=>CH3O+H 3.068E+34 -7.332 116789.8
PLOG / 0.000132 9.241E+28 -7.012 134030.3 /
PLOG / 0.001320 9.218E+28 -6.689 130040.2 /
PLOG / 0.013200 2.179E+30 -6.772 127194.7 /
PLOG / 0.132000 3.517E+31 -6.819 121849.3 /
PLOG / 1.320000 3.053E+34 -7.292 115732.5 /
PLOG / 13.200000 2.060E+39 -8.158 114301.0 /
PLOG / 132.000000 3.311E+42 -8.531 117206.4 /
PLOG / 13200.000000 5.484E+39 -6.946 123154.3 /
CH3OH+H<=>CH2OH+H2 6.564E+04 2.728 4451.3
CH3OH+H<=>CH3O+H2 4.107E+04 2.658 9226.6
CH3OH+H<=>CH3+H2O 2.957E+05 2.485 20627.0
CH3OH+O<=>CH2OH+OH 3.332E+06 2.146 3050.3
CH3OH+O<=>CH3O+OH 4.322E+02 3.050 3528.5
CH3OH+OH<=>CH2OH+H2O 1.504E+08 1.440 113.0
CH3OH+OH<=>CH3O+H2O 2.783E+07 1.440 113.0
CH3OH+O2<=>CH2OH+HO2 3.580E+05 2.270 42736.0
CH3OH+HO2<=>CH3O+H2O2 2.368E+02 3.204 20558.3
DUPLICATE
CH3OH+HO2<=>CH3O+H2O2 1.210E-02 4.157 16677.5
DUPLICATE
CH3OH+HO2<=>CH2OH+H2O2 2.404E-01 4.086 12842.3
DUPLICATE
CH3OH+HO2<=>CH2OH+H2O2 6.977E-10 6.172 7030.3
DUPLICATE
CH3OH+HCO<=>CH2OH+CH2O 9.690E+03 2.900 13116.0
CH3OH+HCO<=>CH3O+CH2O 9.690E+02 2.900 13116.0
CH3OH+CH<=>CH2+CH3O 4.522E+17 -1.930 0.0
CH3OH+CH<=>CH2+CH2OH 8.592E+18 -1.930 0.0
CH3OH+CH2<=>CH3+CH3O 1.443E+01 3.100 6935.0
CH3OH+CH2<=>CH3+CH2OH 3.192E+01 3.200 7174.0
CH3OH+CH3<=>CH2OH+CH4 7.490E+00 3.493 7808.5
DUPLICATE
CH3OH+CH3<=>CH2OH+CH4 2.079E-12 6.622 1603.2
DUPLICATE
CH3OH+CH3<=>CH3O+CH4 6.475E+03 2.338 8761.0
DUPLICATE
CH3OH+CH3<=>CH3O+CH4 8.513E-09 5.089 2844.2
DUPLICATE
CH3OH+CH3O<=>CH2OH+CH3OH 3.010E+11 0.000 4074.1
CH3OH+CH2(S)<=>C2H4+H2O 1.000E+13 0.000 0.0
CH3OH+CH2(S)<=>CH3+CH2OH 1.000E+14 0.000 0.0
CH3+O2(+M)<=>CH3O2(+M) 7.812E+09 0.900 0.0
LOW / 6.850E+24 -3.000 0.0 /
TROE / 0.6000 1000.0 70.0 1700.0 /
H2/2.0/ H2O/6.0/ CH4/3.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
AR/0.7/ HE/0.70/ CH3OH/3.0/
CH3O2+CH2O<=>CH3O2H+HCO 1.990E+12 0.000 11660.0
CH4+CH3O2<=>CH3+CH3O2H 1.810E+11 0.000 18480.0
CH3OH+CH3O2<=>CH2OH+CH3O2H 1.810E+12 0.000 13710.0
CH3O2+CH3<=>CH3O+CH3O 5.080E+12 0.000 -1411.0
CH3O2+HO2<=>CH3O2H+O2 2.470E+11 0.000 -1570.0
CH3O2+CH3O2=>CH2O+CH3OH+O2 5.118E+09 -0.105 -2544.5
CH3O2+CH3O2=>O2+CH3O+CH3O 1.257E+11 -0.097 -316.0
CH3O2+H<=>CH3O+OH 9.600E+13 0.000 0.0
CH3O2+O<=>CH3O+O2 3.600E+13 0.000 0.0
CH3O2+OH<=>CH3OH+O2 6.000E+13 0.000 0.0
CH3O2H<=>CH3O+OH 6.310E+14 0.000 42300.0
H2+CH3O2<=>H+CH3O2H 1.500E+14 0.000 26030.0
C2H+H(+M)=C2H2(+M) 1.00E+17 -1.00 0.
LOW /3.75E+33 -4.80 1900./
TROE /0.6464 132 1315 5566/
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ HE/0.8/
C2H+O=CH+CO 6.00E+13 0.00 0.
C2H+OH<=>H+HCCO 2.000E+13 0.000 0.0
C2H+O2<=>HCO+CO 1.626E+14 -0.350 0.0
C2H+H2<=>H+C2H2 2.108E+06 2.320 882.3
C2H+HO2<=>HCCO+OH 1.806E+13 0.000 0.0
C2H+HCO=C2H2+CO 6.00E+13 0 0
C2H+CH3=C3H3+H 5.00E+13 0 0
C2H+CH4<=>CH3+C2H2 2.168E+10 0.940 651.8
C2H+CH3OH=C2H2+CH2OH 6.03E+13 0.00 0.
C2H+CH3OH=C2H2+CH3O 1.21E+13 0.00 0.
C2O+H<=>CH+CO 5.000E+13 0.000 0.0
C2O+O<=>CO+CO 5.000E+13 0.000 0.0
C2O+OH=>CO+CO+H 2.000E+13 0.000 0.0
C2O+O2=>CO+CO+O 2.000E+13 0.000 0.0
HCCO+O2=>CO2+CO+H 4.780E+12 -0.140 1150.0
HCCO+O2=>CO+CO+OH 1.910E+11 -0.020 1023.0
HCCO+O2=>O+CO+HCO 2.180E+02 2.690 3541.0
HCCO+OH<=>C2O+H2O 3.000E+13 0.000 4.1
HCCO+CH<=>C2H2+CO 5.000E+13 0.000 0.0
HCCO+CH2<=>C2H3+CO 3.000E+13 0.000 0.0
HCCO+HCCO=>C2H2+CO+CO 1.000E+13 0.000 0.0
HCCO+O=>H+CO+CO 7.038E+13 0.000 -223.4
HCCO+O<=>CH+CO2 2.951E+13 0.000 1112.8
HCCO+H<=>CH2(S)+CO 0.70E+14 0.000 0.0
C2H2+O<=>CH2+CO 2.349E+08 1.400 2205.8
C2H2+O<=>HCCO+H 9.394E+08 1.400 2205.8
C2H2+OH<=>C2H+H2O 2.632E+06 2.140 17062.1
C2H2+OH<=>H+HCCOH 2.415E+06 2.000 12714.1
PLOG / 0.010 2.800E+05 2.280 12420.0 /
PLOG / 0.025 7.467E+05 2.160 12549.2 /
PLOG / 0.100 1.776E+06 2.040 12670.4 /
PLOG / 1.000 2.415E+06 2.000 12714.1 /
PLOG / 10.000 3.210E+06 1.970 12811.5 /
PLOG / 100.000 7.347E+06 1.890 13604.4 /
C2H2+OH<=>CH2CO+H 7.528E+06 1.550 2106.4
PLOG / 0.010 1.578E+03 2.560 -844.6 /
PLOG / 0.025 1.518E+04 2.280 -292.1 /
PLOG / 0.100 3.017E+05 1.920 598.1 /
PLOG / 1.000 7.528E+06 1.550 2106.4 /
PLOG / 10.000 5.101E+06 1.650 3400.1 /
PLOG / 100.000 1.457E+04 2.450 4477.2 /
C2H2+OH<=>CH3+CO 1.277E+09 0.730 2579.4
PLOG / 0.010 4.757E+05 1.680 -329.9 /
PLOG / 0.025 4.372E+06 1.400 226.5 /
PLOG / 0.100 7.648E+07 1.050 1114.8 /
PLOG / 1.000 1.277E+09 0.730 2579.4 /
PLOG / 10.000 4.312E+08 0.920 3735.9 /
PLOG / 100.000 8.250E+05 1.770 4697.7 /
C2H2+O2<=>C2H+HO2 1.204E+13 0.000 74520.0
C2H2+HO2<=>CH2CO+OH 6.022E+09 0.000 7948.8
C2H2+CH=C3H2+H 1.00E+14 0 0
C2H2+CH2=C3H3+H 1.20E+13 0.00 6620.00
C2H2+CH2(S)=C3H3+H 3.97E+15 -0.57 -4.85
C2H2+CH3 = pC3H4+H 4.50E+06 1.86 11600.0
PLOG / 0.1 4.50E+06 1.86 11600.0/
PLOG / 1.0 2.56E+09 1.10 13644.0/
PLOG / 2.0 2.07E+10 0.85 14415.0/
PLOG / 5.0 2.51E+11 0.56 15453.0/
PLOG / 10.0 1.10E+12 0.39 16200.0/
PLOG / 100.0 2.10E+12 0.37 18100.0/
C2H2+CH3 = aC3H4+H 2.40E+09 0.91 20700.0
PLOG / 0.1 2.40E+09 0.91 20700.0/
PLOG / 1.0 5.14E+09 0.86 22153.0/
PLOG / 2.0 1.33E+10 0.75 22811.0/
PLOG / 5.0 9.20E+10 0.54 23950.0/
PLOG / 10.0 5.10E+11 0.35 25000.0/
PLOG / 100.0 7.30E+12 0.11 28500.0/
C2H2+CH3 = tC3H5 6.80E+20 -4.16 18000.0
PLOG / 0.1 6.80E+20 -4.16 18000.0 /
PLOG / 1.0 4.99E+22 -4.39 18850.0 /
PLOG / 2.0 6.00E+23 -4.60 19571.0/
PLOG / 5.0 7.31E+25 -5.06 21150.0/
PLOG / 10.0 9.30E+27 -5.55 22900.0/
PLOG / 100.0 3.80E+36 -7.58 31300.0/
C2H2+CH3 = sC3H5 1.40E+32 -7.14 10000.0
PLOG / 0.1 1.40E+32 -7.14 10000.0/
PLOG / 1.0 3.20E+35 -7.76 13300.0/
PLOG / 10.0 2.40E+38 -8.21 17100.0/
PLOG / 100.0 1.40E+39 -8.06 20200.0/
C2H2+CH3 = aC3H5 8.20E+53 -13.32 33200.0
PLOG / 0.1 8.20E+53 -13.32 33200.0/
PLOG / 1.0 2.68E+53 -12.82 35730.0/
PLOG / 2.0 3.64E+52 -12.46 36127.0/
PLOG / 5.0 1.04E+51 -11.89 36476.0/
PLOG / 10.0 4.40E+49 -11.40 36700.0/
PLOG / 100.0 3.80E+44 -9.63 37600.0/
C2H2+C2H=C4H2+H 9.00E+13 0.00 0.
C2H2+C2H (+M) = nC4H3 (+M) 8.300E+10 0.899 -363.00
LOW /1.240E+31 -4.718 1871.00 /
TROE /1.0 100. 5613. 13387. /
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
C2H2/2.5/ C2H4/2.5/
C2H2+C2H (+M) = iC4H3 (+M) 8.300E+10 0.899 -363.00
LOW /1.240E+31 -4.718 1871.00 /
TROE /1.0 100. 5613. 13387. /
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
C2H2/2.5/ C2H4/2.5/
C2H2(+M)<=>H2CC(+M) 8.000E+14 -0.520 50750.0
LOW / 2.450E+15 -0.640 49700.0 /
H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ C2H2/2.50/ C2H4/2.50/
H2CC+O2<=>CH2+CO2 1.000E+13 0.000 0.0
H2CC+H<=>C2H2+H 1.000E+14 0.000 0.0
H2CC+OH<=>CH2CO+H 2.000E+13 0.000 0.0
H2CC+O<=>CH2+CO 1.000E+14 0.000 0.0
CH2CO+H<=>CH3+CO 1.500E+09 1.450 2780.0
CH2CO+O<=>CH2+CO2 1.084E+12 0.000 1351.3
CH2CO+O<=>CH2O+CO 3.613E+11 0.000 1351.3
CH2CO+O<=>HCO+HCO 3.613E+11 0.000 1351.3
CH2CO+OH<=>CH3+CO2 6.745E+11 0.000 -1013.0
CH2CO+OH<=>CH2OH+CO 1.012E+12 0.000 -1013.0
CH2CO+OH<=>HCCO+H2O 7.500E+12 0.000 2000.0
CH2(S)+CH2CO<=>C2H4+CO 1.600E+14 0.000 0.000E+00
H+HCCOH<=>H+CH2CO 6.000E+13 0.000 0.0
OH+HCCOH=H2O+HCCO 2.000E+13 0.000 0.0
O+HCCOH=HCCO+OH 8.000E+13 0.000 0.0
H+C2H2(+M)=C2H3(+M) 1.71E+10 1.266 2709.
LOW /6.35E+31 -4.664 3780./
TROE/ 0.78784 -1.021E4 1.0E-30/
H2/2.5/ H2O/7.5/ CO/1.80/ CO2/3.8/ AR/1.0/ C2H2/3.0/ O2/1.20/ N2/1.20/ CH4/3.0/ HE/1.0/
H+C2H3(+M)=C2H4(+M) 6.08E+12 0.27 280.
LOW /1.40E+30 -3.86 3320./
TROE /0.782 207.5 2663 6095/
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ HE/0.8/
C2H3+H=H2+C2H2 4.00E+13 0.00 0.
C2H3+O<=>CH2CO+H 1.030E+13 0.205 -848.5
C2H3+O<=>OH+C2H2 1.030E+12 0.205 -848.5
C2H3+O2<=>HCO+CH2O 3.130E+14 -0.653 268.7
C2H3+O2=>H+CO+CH2O 2.190E+14 -0.653 268.7
C2H3+O2<=>CH2HCO+O 7.520E+08 0.965 -137.4
C2H3+OH<=>C2H2+H2O 3.011E+13 0.000 0.0
C2H3+OH<=>CH2HCO+H 3.011E+13 0.000 0.0
C2H3+HO2<=>CH2HCO+OH 1.000E+13 0.000 0.0
C2H3+CH2O<=>C2H4+HCO 5.420E+03 2.810 5862.2
C2H3+HCO<=>C2H4+CO 1.033E+13 0.000 0.0
C2H3+CH2=CH3+C2H2 2.00E+13 0 0
C2H3+CH3=C2H2+CH4 9.00E+12 0.000 -770.
C2H3+CH3(+M)=C3H6(+M) 2.50E+13 0.000 0.00
LOW / 4.270E+58 -11.940 9769.80 /
TROE / 0.175 1340.6 60000.0 10139.8 /
H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/C2H2/3.00/ C2H4/3.00/ HE/0.7/
C2H3 + C2H2 = C4H4 + H 7.20E+13 -0.48 6100.
PLOG /0.013 7.20E+13 -0.48 6100./
PLOG /0.118 4.60E+16 -1.25 8400./
PLOG /1.00 2.00E+18 -1.68 10600. /
PLOG /10.00 4.90E+16 -1.13 11800./
C2H3 + C2H2 = nC4H5 1.10E+31 -7.14 5600.
PLOG /0.013 1.10E+31 -7.14 5600./
PLOG /0.118 2.40E+31 -6.95 5600./
PLOG /1.00 9.30E+38 -8.76 12000. /
PLOG /10.00 8.10E+37 -8.09 13400./
C2H3 + C2H2 = iC4H5 5.00E+34 -8.42 7900.
PLOG /0.013 5.00E+34 -8.42 7900./
PLOG /0.118 1.00E+37 -8.77 9800./
PLOG /1.00 1.60E+46 -10.98 18600. /
PLOG /10.00 5.10E+53 -12.64 28800./
C2H3 + C2H3 = C4H6-13 7.00E+57 -13.82 17629.
PLOG /0.026 7.00E+57 -13.82 17629./
PLOG /0.118 1.50E+52 -11.97 16056./
PLOG /1.00 1.50E+42 -8.84 12483. /
C2H3 + C2H3 = iC4H5 + H 1.50E+30 -4.95 12958.
PLOG /0.026 1.50E+30 -4.95 12958. /
PLOG /0.118 7.20E+28 -4.49 14273./
PLOG /1.00 1.20E+22 -2.44 13654. /
C2H3 + C2H3 = nC4H5 + H 1.10E+24 -3.28 12395.
PLOG /0.026 1.10E+24 -3.28 12395. /
PLOG /0.118 4.60E+24 -3.38 14650./
PLOG /1.00 2.40E+20 -2.04 15361. /
C2H3+C2H3=C2H2+C2H4 1.80E+12 0.00 -800.
C2H3+C2H3=CH3+C3H3 3.00E+12 0.00 -800.
C2H+C2H3=C2H2+C2H2 2.00E+13 0.00 0.
CH2HCO(+M)=H+CH2CO(+M) 1.41E+25 -3.13 50483.
LOW /9.12E+29 -3.93 43347. /
TROE /0.585 32.8 1.63E+08 6.99E+04 /
H2/3.0/ H2O/9.0/ CO/2.25/ CO2/3.0/ AR/1.0/ C2H2/4.5/ N2/1.5/ O2/1.5/ CH3HCO/4.5/ C2H6/4.5/
CH2HCO(+M)=CH3+CO(+M) 3.45E+18 -1.54 43173.
LOW /1.87E+25 -2.62 31596. /
TROE /0.223 10.0 2.68E+03 6.99E+04 /
H2/3.0/ H2O/9.0/ CO/2.25/ CO2/3.0/ AR/1.0/ C2H2/4.5/ N2/1.5/ O2/1.5/ CH3HCO/4.5/ C2H6/4.5/
CH3CO(+M)=CH3+CO(+M) 9.24E+14 -0.13 18399.
LOW /1.64E+19 -1.07 14646. /
TROE /0.210 10.0 7.96E+06 6.99E+04 /
H2/3.0/ H2O/9.0/ CO/2.25/ CO2/3.0/ AR/1.0/ C2H2/4.5/ N2/1.5/ O2/1.5/ CH3HCO/4.5/ C2H6/4.5/
CH3CO+H<=>CH3+HCO 9.635E+13 0.000 0.0
CH3CO+O<=>CH2CO+OH 1.000E+13 0.000 0.0
CH3CO+O<=>CH3+CO2 6.000E+13 0.000 0.0
CH3CO+OH<=>CH2CO+H2O 1.204E+13 0.000 0.0
CH3CO+OH<=>CH3+CO+OH 3.011E+13 0.000 0.0
CH3CO+CH2<=>CH2CO+CH3 1.810E+13 0.000 0.0
CH2HCO+H<=>CH3+HCO 8.000E+13 0.000 0.0
CH2HCO+H<=>CH2CO+H2 2.000E+13 0.000 0.0
CH2HCO+O<=>CH2O+HCO 5.000E+13 0.000 0.0
CH2HCO+OH<=>H2O+CH2CO 1.200E+13 0.000 0.0
CH2HCO+OH<=>HCO+CH2OH 3.010E+13 0.000 0.0
CH2HCO+O2<=>CH2CO+HO2 1.880E+05 2.370 23728.0
CH2HCO+O2<=>CO+CH2O+OH 2.680E+17 -1.840 6530.0
C2H4(+M)<=>C2H2+H2(+M) 8.000E+12 0.440 88770.0
LOW / 1.580E+51 -9.310 97800.0 /
TROE / 0.7345 180.0 1035.0 5417.0 /
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
AR/0.7/ HE/0.70/ CH3OH/3.0/
C2H4+H<=>C2H3+H2 2.349E+02 3.620 11267.4
C2H4+O<=>H+CH2HCO 1.417E+09 1.105 880.1
C2H4+O<=>CH2+CH2O 9.547E+05 2.121 1233.8
C2H4+O<=>CH3+HCO 3.696E+08 1.368 875.8
C2H4+O<=>CH3CO+H 3.134E+04 2.325 384.9
C2H4+O<=>CH2CO+H2 4.032E+04 2.282 341.4
C2H4+O<=>CH4+CO 1.275E+05 2.108 449.7
C2H4+OH<=>C2H3+H2O 1.310E-01 4.200 -860.0
C2H4+OH<=>CH3+CH2O 1.776E+05 1.680 2060.7
PLOG / 0.010 5.348E+00 2.920 -1732.8 /
PLOG / 0.025 3.186E+01 2.710 -1172.4 /
PLOG / 0.100 5.552E+02 2.360 180.8 /
PLOG / 1.000 1.776E+05 1.680 2060.7 /
PLOG / 10.000 2.373E+09 0.560 6007.3 /
PLOG / 100.000 2.758E+13 0.500 11456.2 /
C2H4+OH<=>CH3HCO+H 2.379E-02 3.910 1722.9
PLOG / 0.010 2.373E-07 5.300 -2050.8 /
PLOG / 0.025 8.732E-05 4.570 -618.0 /
PLOG / 0.100 4.029E-01 3.540 1881.9 /
PLOG / 1.000 2.379E-02 3.910 1722.9 /
PLOG / 10.000 8.250E+08 1.010 10508.3 /
PLOG / 100.000 6.805E+09 0.810 13868.7 /
C2H4+OH<=>CH2CHOH+H 3.192E+05 2.190 5256.1
PLOG / 0.010 1.036E+04 2.600 4121.5 /
PLOG / 0.025 1.072E+04 2.600 4129.4 /
PLOG / 0.100 1.524E+04 2.560 4238.7 /
PLOG / 1.000 3.192E+05 2.190 5256.1 /
PLOG / 10.000 1.939E+08 1.430 7829.6 /
PLOG / 100.000 8.551E+10 0.750 11492.0 /
C2H4+OH<=>C2H4OH 3.765E+36 -7.803 7024.5
PLOG / 0.010 6.105E+43 -10.624 7959.5 /
PLOG / 0.025 3.593E+37 -8.642 5236.9 /
PLOG / 0.100 2.459E+35 -7.786 4979.0 /
PLOG / 1.000 3.765E+36 -7.803 7024.5 /
PLOG / 10.000 1.351E+34 -6.740 7889.2 /
PLOG / 100.000 1.050E+27 -4.391 6253.7 /
C2H4+O2<=>C2H3+HO2 4.215E+13 0.000 57628.8
C2H4+HO2<=>CH3HCO+OH 6.022E+09 0.000 7948.8
CH4+CH<=>H+C2H4 1.325E+16 -0.940 57.6
C2H4+CH=aC3H4+H 1.70E+14 -0.31 0.
C2H4+CH2=aC3H5+H 3.20E+12 0.00 5285.
C2H4+CH2(S)=aC3H5+H 4.53E+13 0.00 -556.
C2H4+CH3=C2H3+CH4 4.16E+12 0.00 11130.
C2H4+C2H=C4H4+H 4.70E+13 0.00 -270.
CH3HCO(+M)<=>CH3+HCO(+M) 2.720E+22 -1.740 86355.0
LOW / 1.634E+59 -11.300 95912.0 /
TROE / 0.6840 2706.0 399.1 6540.0 /
H2/2.0/ H2O/6.0/ CO/1.0/ CO2/2.0/ AR/0.7/ C2H2/3.0/ O2/2.0/
CH3HCO+H<=>CH2HCO+H2 2.722E+03 3.100 5206.5
CH3HCO+H<=>CH3CO+H2 1.313E+05 2.580 1220.1
CH3HCO+O<=>CH3CO+OH 5.841E+12 0.000 1808.4
CH3HCO+OH<=>CH3CO+H2O 6.000E+13 0.000 3000.0
CH3HCO+O2<=>CH3CO+HO2 1.204E+05 2.500 37558.0
CH3HCO+HO2<=>CH3CO+H2O2 4.095E+04 2.500 10204.0
CH3HCO+HO2<=>CH2HCO+H2O2 3.000E+12 0.000 11923.0
CH3HCO+CH<=>CH2CO+CH3 6.000E+13 0.000 0.0
CH3HCO+CH<=>C2H4+HCO 2.000E+13 0.000 0.0
CH3HCO+CH2<=>CH2HCO+CH3 1.660E+12 0.000 3517.0
CH3HCO+CH3<=>CH3CO+CH4 3.493E-08 6.210 1629.5
CH2CHOH+OH=CH2HCO+H2O 3.33E+09 1.1 541.
CH2CHOH+H=CH2HCO+H2 9.81E+02 3.37 3537.
CH2CHOH+H=CH3HCO+H 2.00E+13 0.00 0.
CH2CHOH+O=CH2HCO+OH 1.88E+06 1.9 -860.
CH2CHOH+HO2=CH2HCO+H2O2 3.40E+03 2.5 8922.
CH2CHOH+CH3=CH2HCO+CH4 2.03E-08 5.90 1052.
C2H4+H(+M)<=>C2H5(+M) 1.367E+09 1.463 1355.0
LOW / 2.896E39 -6.642 5769.0 /
TROE/ 0.752 19999.5 359.2 1947400.0 /
AR/0.7/ H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.0/ CO2/3.0/ C2H6/3.0/ CH3OH/3.0/
C2H2/2.5/ O2/2.0/
C2H5+H<=>C2H4+H2 4.000E+13 0.000 0.0
C2H5+O<=>CH3+CH2O 3.200E+13 0.000 0.0
C2H5+O<=>H+CH3HCO 4.400E+13 0.000 0.0
C2H5+O<=>OH+C2H4 2.400E+13 0.000 0.0
C2H5+OH<=>C2H4+H2O 2.409E+13 0.000 0.0
C2H5+OH<=>CH3+CH2OH 3.000E+13 0.000 0.0
C2H5+O2<=>C2H4+HO2 1.921E+07 1.020 -2035.0
C2H5+HO2<=>C2H4+H2O2 2.010E+12 0.000 0.0
C2H5+CH=H+aC3H5 5.00E+13 0.00 0.
C2H5+CH2<=>C2H4+CH3 1.810E+13 0.000 0.0
C2H5+CH2(S)<=>C2H4+CH3 9.000E+12 0.000 0.0
CH3+C2H5<=>CH4+C2H4 6.000E+12 0.000 0.0
C2H5+CH2OH<=>C2H4+CH3OH 1.000E+13 0.000 0.0
C2H5+CH2OH<=>C2H6+CH2O 1.000E+13 0.000 0.0
C2H5+CH3O<=>C2H6+CH2O 1.000E+13 0.000 0.0
C2H5+C2H=C2H2+C2H4 1.00E+13 0.00 0.
C2H5+C2H=C3H3+CH3 2.00E+13 0.00 0.
C2H5+C2H3=aC3H5+CH3 3.00E+13 0.00 0.
C2H5+C2H3<=>C2H4+C2H4 1.000E+13 0.000 0.0
C2H4OH+O=CH2O+CH2OH 8.00E+13 0 0
H+C2H4OH=CH3+CH2OH 9.00E+13 0 0
H+C2H4OH=C2H4+H2O 3.00E+13 0 0
C2H4OH+OH=H2O+CH2CHOH 3.00E+13 0 0
C2H4OH+O2=CH2CHOH+HO2 1.00E+12 0.00 -1100.
C2H5+H(+M)<=>C2H6(+M) 5.210E+17 -0.990 1580.0
LOW / 1.990E+41 -7.080 6685.0 /
TROE / 0.8422 125.0 2219.0 6882.0 /
AR/0.7/ H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ CH3OH/3.0/
C2H6+H<=>C2H5+H2 2.680E+07 1.980 6325.2
C2H6+O<=>C2H5+OH 3.168E+01 3.800 3131.8
C2H6+OH<=>C2H5+H2O 1.614E+06 2.224 741.2
C2H6+O2<=>C2H5+HO2 4.040E+13 0.000 50875.0
C2H6+HO2<=>C2H5+H2O2 2.610E+01 3.370 15900.0
C2H6+HCO<=>CH2O+C2H5 4.700E+04 2.720 18235.0
C2H6+CH<=>C2H4+CH3 6.185E+13 0.000 -262.3
CH2(S)+C2H6<=>CH3+C2H5 4.000E+13 0.000 -550.0
C2H6+CH3<=>C2H5+CH4 5.506E-01 4.000 8287.0
C2H6+CH2OH<=>CH3OH+C2H5 1.990E+02 3.000 13976.0
C2H6+C2H<=>C2H2+C2H5 7.200E+11 0.540 -358.0
C2H6+C2H3<=>C2H4+C2H5 6.010E+02 3.300 10502.0
C3H2+O=C2H2+CO 6.02E+13 0.00 0.
C3H2+OH=C2H2+HCO 6.80E+13 0.00 0.
C3H2+H(+M)=C3H3(+M) 3.41E+14 0.00 291.95
LOW /2.47E+31 -3.92 4411.25/
TROE /0.419 3165.06 177.35 204926.14/
H2/3.0/ H2O/9.0/ CO/2.30/ CO2/4.0/ AR/1.0/ CH4/3.0/
C2H6/4.0/ N2/1.50/ HE/1.0/ CH3OH/6.0/ O2/1.5/
C3H2+O2=HCO+HCCO 1.00E+13 0.00 1000.
C3H2+CH=C4H2+H 1.00E+14 0.00 0.
C3H2+CH2=iC4H3+H 5.00E+13 0.00 0.
C3H2+CH2(S)=iC4H3+H 5.00E+13 0.00 0.
C3H2+CH3=C4H4+H 1.00E+13 0.00 0.
C3H2+C2H=C5H2+H 1.00E+14 0.00 0.
C3H2+HCCO=nC4H3+CO 1.00E+13 0.00 0.
C3H2+C2H2=HCCCHCCH+H 5.00E+12 0.00 5000.
C3H2SING+M=C3H2+M 1.00E+13 0.00 0.00
H2/3.0/ H2O/9.0/ CH4/3.0/ CO/2.25/ CO2/3.0/ C2H6/4.5/ AR/1.0/ N2/1.50/ HE/1.20/
c-C3H2+O=C2H+HCO 1.00E+13 0.00 12000.
C3H3+O=CH2O+C2H 1.20E+14 0.00 0.
C3H3+H=C3H2+H2 2.14E5 2.52 7453.
C3H3+H=C3H2SING+H2 2.9512E+09 1.28 13474.
PLOG /0.03947 2.9512E+09 1.28 13474./
PLOG /1. 1.0965E+10 1.13 13929./
PLOG /10. 3.3113E+13 0.195 17579./
C3H3+H=c-C3H2+H2 1.0715E+07 1.37 15557.
PLOG /0.03947 1.0715E+07 1.37 15557./
PLOG /1. 1.3490E+07 1.34 15560./
PLOG /10. 7.2444E+09 0.606 18356./
aC3H4=pC3H4 6.0256E+53 -12.18 84276.
PLOG /0.03947 6.0256E+53 -12.18 84276./
PLOG /1. 7.7625E+39 -7.80 78446./
PLOG /10. 4.7863E+48 -10.0 88685./
c-C3H4=pC3H4 2.5119E+50 -11.82 50914.
PLOG /0.03947 2.5119E+50 -11.82 50914./
PLOG /1. 1.2303E+37 -7.51 45551./
PLOG /10. 1.6596E+37 -7.24 48013./
c-C3H4=aC3H4 9.7724E+43 -9.97 56007.
PLOG /0.03947 9.7724E+43 -9.97 56007./
PLOG /1. 2.5119E+26 -4.56 43922./
PLOG /10. 5.0119E+35 -6.87 51298./
C3H3+H=pC3H4 3.6308E+36 -7.36 6039.
PLOG /0.03947 3.6308E+36 -7.36 6039./
PLOG /1. 7.943E+29 -5.06 4861./
PLOG /10. 1.072E24 -3.15 3261./
C3H3+H=aC3H4 3.3884E+36 -7.41 6337.
PLOG /0.03947 3.3884E+36 -7.41 6337./
PLOG /1. 3.1623E+29 -5. 4711./
PLOG /10. 8.7096E+23 -3.20 3255./
C3H3+H=c-C3H4 8.9125E+112 -28.26 83611.
PLOG /0.03947 8.9125E+112 -28.26 83611./
PLOG /1. 1.0715E+21 -2.95 2687./
PLOG /10. 3.2359E+18 -2.05 2053./
C3H3+OH=C3H2+H2O 2.00E+13 0.00 8000.
C3H3+OH=CH2O+C2H2 2.00E+12 0.00 0.
C3H3+OH=C2H3+HCO 5.00E+13 0.00 0.
C3H3+OH=C2H4+CO 3.00E+13 0.00 0.
C3H3+O2=CH2CO+HCO 1.70E+05 1.70 1500.
C3H3+HCO=aC3H4+CO 1.50E+13 0.00 0.
C3H3+HCO=pC3H4+CO 1.50E+13 0.00 0.
C3H3+CH=iC4H3+H 5.00E+13 0.00 0.
C3H3+CH2=C4H4+H 5.00E+13 0.00 0.
C3H3+CH3(+M)=C4H6-12(+M) 1.50E+12 0.00 0.
LOW /2.60E+57 -11.94 9770./
TROE /0.175 1341 60000 9770/
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
C3H3+HCCO=C4H4+CO 2.50E+13 0.00 0.
C3H3+C2H=HCCCHCCH+H 3.00E+13 0.00 0.
C3H3+C2H=H2CCCCCH+H 1.00E+13 0.00 0.
C3H3+C3H3=C4H5C2H 1.3177E+77 -19.00 33332.
PLOG /0.03947 1.3177E+77 -19.00 33332./
PLOG /1. 4.8957E+60 -14.02 25733./
PLOG /10. 1.4785E+55 -12.30 23622./
C3H3+C3H3=FC6H6 6.3069E+76 -19.07 31542.
PLOG /0.03947 6.3069E+76 -19.07 31542./
PLOG /1. 1.3798E+66 -15.66 28260./
PLOG /10. 1.2584E+56 -12.61 23515./
C3H3+C3H3=C6H6 1.8189E+74 -18.14 31896.
PLOG /0.03947 1.8189E+74 -18.14 31896./
PLOG /1. 3.1609E+55 -12.55 22264./
PLOG /10. 3.8888E+50 -11.01 20320./
C3H3+C3H3=C6H5+H 1.0467E+54 -11.88 28757.
PLOG /0.03947 1.0467E+54 -11.88 28757./
PLOG /1. 1.6975E+48 -9.977 36755./
PLOG /10. 3.6712E+26 -3.879 28963./
C4H5C2H=FC6H6 5.7544E+76 -18.67 95531.
PLOG /0.03947 5.7544E+76 -18.67 95531./
PLOG /1. 2.3442E+56 -12.55 86405./
PLOG /10. 4.8978E+26 -4.144 65424./
C4H5C2H=C6H6 6.7608E+98 -24.58 122310.
PLOG /0.03947 6.7608E+98 -24.58 122310./
PLOG /1. 1.6218E+53 -11.34 100210./
PLOG /10. 2.8184E+51 -10.68 106950./
C4H5C2H=C6H5+H 2.6915E+84 -20.14 121900.
PLOG /0.03947 2.6915E+84 -20.14 121900./
PLOG /1. 4.1687E+77 -17.68 133520./
PLOG /10. 3.0903E+43 -7.928 118650./
FC6H6=C6H6 5.6234E+81 -19.36 121500.
PLOG /0.03947 5.6234E+81 -19.36 121500./
PLOG /1. 1.4454E+45 -8.900 96999./
PLOG /10. 2.9512E+31 -4.970 88465./
FC6H6=C6H5+H 2.5704E+97 -23.16 153470.
PLOG /0.03947 2.5704E+97 -23.16 153470./
PLOG /1. 2.2387E+68 -14.65 142570./
PLOG /10. 8.5114E+24 -2.505 113330./
C6H6=C6H5+H 1.3490E+108 -25.81 181750.
PLOG /0.03947 1.3490E+108 -25.81 181750./
PLOG /1. 6.3096E+60 -12.40 148070./
PLOG /10. 5.4954E+38 -6.178 132000./
pC3H4+H=sC3H5 1.0E+25 -5.00 1800.
PLOG /0.1 1.0E+25 -5.00 1800./
PLOG /1. 5.5E+28 -5.74 4300./
PLOG /10. 1.0E+34 -6.88 8900./
PLOG /100. 9.7E+37 -7.63 13800./
PLOG /1.0E+5 3.2E+09 1.43 4700./
pC3H4+H=aC3H4+H 2.3E+15 -0.26 7600.
PLOG /0.1 2.3E+15 -0.26 7600./
PLOG /1. 6.3E+17 -0.91 10100./
PLOG /10. 3.1E+22 -2.18 14800./
PLOG /100. 6.4E+27 -3.58 21200./
pC3H4+H=tC3H5 4.6E+44 -10.21 10200.
PLOG /0.1 4.6E+44 -10.21 10200./
PLOG /1. 1.7E+47 -10.58 13700./
PLOG /10. 7.0E+47 -10.40 16600./
PLOG /100. 3.2E+44 -9.11 17400./
PLOG /1.0E+5 1.7E+11 0.97 2800./
pC3H4+H=aC3H5 1.1E+60 -14.56 28100.
PLOG /0.1 1.1E+60 -14.56 28100./
PLOG /1. 4.9E+60 -14.37 31600./
PLOG /10. 2.2E+59 -13.61 34900./
PLOG /100. 1.6E+55 -12.07 37500./
aC3H4+H=sC3H5 1.1E+30 -6.52 15200.
PLOG /0.1 1.1E+30 -6.52 15200./
PLOG /1. 5.4E+29 -6.09 16300./
PLOG /10. 2.6E+31 -6.23 18700./
PLOG /100. 3.2E+31 -5.88 21500./
aC3H4+H=tC3H5 9.2E+38 -8.65 7000.
PLOG /0.1 9.2E+38 -8.65 7000./
PLOG /1. 9.5E+42 -9.43 11200./
PLOG /10. 1.5E+45 -9.69 15100./
PLOG /100. 1.8E+43 -8.78 16800./
PLOG /1.0E+5 4.4E+09 1.45 2400./
aC3H4+H=aC3H5 9.6E+61 -14.67 26000.
PLOG /0.1 9.6E+61 -14.67 26000./
PLOG /1. 1.5E+59 -13.54 26900./
PLOG /10. 2.4E+52 -11.30 25400./
PLOG /100. 6.9E+41 -8.06 21300./
PLOG /1.0E+5 4.6E+09 1.44 4800./
aC3H5=sC3H5 1.3E+55 -14.53 73800.
PLOG /0.1 1.3E+55 -14.53 73800./
PLOG /1. 5.0E+51 -13.02 73300./
PLOG /10. 9.7E+48 -11.73 73700./
PLOG /100. 1.1E+44 -9.84 73400./
aC3H5=tC3H5 3.9E+59 -15.42 75400.
PLOG /0.1 3.9E+59 -15.42 75400./
PLOG /1. 7.1E+56 -14.08 75900./
PLOG /10. 6.4E+51 -12.12 75700./
PLOG /100. 2.8E+43 -9.27 74000./
tC3H5=sC3H5 1.6E+44 -12.16 52200.
PLOG /0.1 1.6E+44 -12.16 52200./
PLOG /1. 1.5E+48 -12.71 53900./
PLOG /10. 5.1E+52 -13.37 57200./
PLOG /100. 5.8E+51 -12.43 59200./
aC3H4+O=C2H4+CO 2.00E+07 1.8 1000.0
aC3H4+H=C3H3+H2 6.604E+03 3.095 5522.
aC3H4+OH=C3H3+H2O 2.00E+07 2.0 5000.
aC3H4+OH=CH2O+C2H3 1.00E+12 0.0 -198.7
aC3H4+OH=CH2CO+CH3 3.04E+12 0.0 -198.7
aC3H4+CH3=C3H3+CH4 1.30E+12 0.00 7700.0
aC3H4+C2H=C2H2+C3H3 1.00E+13 0.0 0.0
aC3H4+CH2=iC4H5+H 2.00E+13 0.0 4000.
aC3H4+CH2(S)=iC4H5+H 2.00E+13 0.0 0.0
pC3H4+H=C3H3+H2 3.57E+04 2.825 4821.
pC3H4+O=HCCO+CH3 7.30E+12 0.00 2250.
pC3H4+O=C2H4+CO 1.00E+13 0.00 2250.
pC3H4+O=C3H3+OH 3.44E+04 2.16 4830.
pC3H4+OH=C3H3+H2O 2.00E+07 2.00 5000.
pC3H4+OH=HCCO+CH4 5.00E+12 0.00 5000.
pC3H4+CH=C4H4+H 1.20E+14 0.00 0.
pC3H4+CH2=iC4H5+H 2.00E+13 0.00 4000.
pC3H4+CH2(S)=iC4H5+H 1.00E+14 0.00 0.
pC3H4+CH3=C3H3+CH4 1.80E+12 0.00 7700.
aC3H5+H(+M)=C3H6(+M) 2.00E+14 0.00 0.
LOW /1.33E+60 -12.00 5967.8/
TROE /0.02 1097 10967 6860/
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
aC3H5+H=aC3H4+H2 1.80E+13 0.00 0.
aC3H5+O=C2H3CHO+H 6.00E+13 0.00 0.
aC3H5+O=>C2H4+H+CO 6.00E+13 0.00 0.
aC3H5+OH=>C2H3CHO+H+H 5.30E+37 -6.71 29306.0
PLOG / 0.1 5.30E+37 -6.71 29306.0/
PLOG / 1.0 4.20E+32 -5.16 30126.0/
PLOG / 10.0 1.60E+20 -1.56 26330.0/
aC3H5+OH=aC3H4+H2O 2.00E+13 0.00 0.
aC3H5+O2=aC3H4+HO2 2.06E+04 2.19 17590.
aC3H5+O2=>C2H2+CH2O+OH 9.71E+20 -2.70 24980.
aC3H5+O2=CH2O+CH2HCO 3.08E+09 0.37 16910.
aC3H5+O2=C2H3CHO+OH 3.36E+05 1.81 19190.
aC3H5+HO2=>C2H3CHO+OH+H 1.00E+13 0.00 0.
aC3H5+CH2=C4H6-13+H 3.00E+13 0.00 0.
aC3H5+CH2(S)=C4H6-13+H 1.00E+14 -0.00 0.
aC3H5+CH3=aC3H4+CH4 3.00E+12 -0.32 -131.
aC3H5+HCO=C3H6+CO 6.00E+13 0.00 0.
aC3H5+C2H=C2H3+C3H3 4.00E+13 0.00 0.
aC3H5+C2H2=C5H6+H 4.00E+14 0.00 24889.
aC3H5+C2H3=aC3H4+C2H4 2.40E+12 0.00 0.
aC3H5+C2H3=C3H6+C2H2 4.80E+12 0.00 0.
aC3H5+C3H2=C6H6+H 2.00E+13 0.00 0.0
aC3H5+C3H3=>FC6H6+H+H 3.26E+29 -5.10 3390.
aC3H5+aC3H5=aC3H4+C3H6 8.43E+10 0.00 -262.
sC3H5+H=aC3H4+H2 3.00E+13 0.00 0.
sC3H5+H=pC3H4+H2 3.00E+13 0.00 0.
sC3H5+H=aC3H5+H 1.00E+13 0.00 0.
sC3H5+O=CH2CO+CH3 0.75E+14 0.00 0.
sC3H5+O=C2H5+CO 0.75E+14 0.00 0.
sC3H5+OH=pC3H4+H2O 1.00E+13 0.00 0.
sC3H5+OH=aC3H4+H2O 1.00E+13 0.00 0.
sC3H5+OH=CH2CO+CH3+H 0.50E+13 0.00 0.
sC3H5+O2=CH3CO+CH2O 4.34E+12 0.00 0.
sC3H5+CH3=aC3H4+CH4 1.00E+11 0.00 0.
sC3H5+CH3=pC3H4+CH4 1.00E+11 0.00 0.
C2H3CO=C2H3+CO 1.00E+14 0.000 27000.00
C2H3CO+H=C2H3+HCO 1.00E+13 0.000 00.00
C2H3CO+H=C2H4+CO 1.00E+14 0.00 0.
C2H3CHO=C2H4+CO 2.00E+12 0.00 56300.
C2H3CHO+H=C2H4+HCO 1.08E+11 0.45 5820.
C2H3CHO+H=C2H3CO+H2 3.98E+13 0.00 4200.
C2H3CHO+O=C2H3+OH+CO 3.00E+13 0.00 3540.
C2H3CHO+O=CH2O+CH2CO 1.90E+07 1.80 220.
C2H3CHO+OH=C2H3+H2O+CO 3.43E+09 1.18 -447.
C2H3CHO+CH3=C2H3CO+CH4 2.00E+13 0.00 11000.
C2H3CHO+C2H3=C4H6-13+HCO 2.80E+21 -2.44 14720.
C3H6+O=C2H5+HCO 0.97E+07 1.83 -546.
C3H6+O=CH3+CH2HCO 0.77E+07 1.83 -546.
C3H6+O=C2H3CHO+H+H 1.31E+07 1.83 -546.
C3H6+O=C2H4+CH2O 0.43E+07 1.83 -546.
C3H6+O=aC3H5+OH 1.75E+11 0.70 5884.
C3H6+O=sC3H5+OH 1.21E+11 0.70 8960.
C3H6+O=tC3H5+OH 6.03E+10 0.70 7633.
C3H6+OH=aC3H5+H2O -1.21E+08 1.73 925.
DUPLICATE
C3H6+OH=aC3H5+H2O 1.88E+07 2.03 684.
DUPLICATE
C3H6+OH=sC3H5+H2O 7.80E+03 2.80 2193.
DUPLICATE
C3H6+OH=sC3H5+H2O 1.02E+00 3.51 -101.
DUPLICATE
C3H6+OH=tC3H5+H2O 4.67E+04 2.47 1748.
DUPLICATE
C3H6+OH=tC3H5+H2O 5.70E-07 2.61 -3086.
DUPLICATE
C3H6+CH=C4H6-13+H 1.20E+14 0.00 0.
C3H6+CH2=aC3H5+CH3 2.00E+13 0.00 0.
C3H6+CH3=aC3H5+CH4 2.20E+00 3.50 5675.
C3H6+CH3=sC3H5+CH4 8.40E-01 3.50 11660.
C3H6+C2H=C2H2+aC3H5 0.50E+14 0.00 140.
C3H6+C2H=CH3+C4H4 0.70E+14 0.00 -140.
C3H6+H=CH3+C2H4 7.88E+10 0.87 3599.6
PLOG /0.04 7.88e+10 0.8700 3599.6/
PLOG /1. 2.67E+12 0.4736 5431.1/
PLOG /10. 9.25E+22 -2.5495 12898./
PLOG /10. 1.57E+05 2.5154 3679.1/
PLOG /100. 1.32E+23 -2.4248 16500./
PLOG /100. 2.51E+03 2.9088 3098.9/
C3H6+H=aC3H5+H2 -8.85E+08 1.307 3411.6
DUPLICATE
C3H6+H=aC3H5+H2 5.48E+05 2.396 2613.4
DUPLICATE
C3H6+H=tC3H5+H2 1.49E+02 3.381 8909.5
C3H6+H=sC3H5+H2 3.97E+02 3.252 12007
DUPLICATE
C3H6+H=sC3H5+H2 5.10E+02 3.234 12357
DUPLICATE
C4H+O=C2O+C2H 6.00E+13 0.00 0.0
C4H+O2=HCCO+C2O 5.00E+13 0.00 1500.0
C4H+H2=H+C4H2 2.10E+06 2.32 882.
C4H2+OH=H2O+C4H 9.15E+09 1.03 21746.
C4H2+OH=CO+C3H3 1.69E+28 -4.59 20140.
PLOG /0.01 2.58E+19 -2.44 3034./
PLOG /0.025 1.69E+28 -4.59 20140./
PLOG /0.1 7.65E+20 -2.83 4638./
PLOG /1. 2.11E+23 -3.47 7590./
PLOG /10. 1.63E+26 -4.18 13082./
PLOG /100. 5.20E+31 -5.36 31879./
C4H2+OH=H+H2C4O 5.52E+19 -2.35 7229.
PLOG /0.01 1.63E+15 -1.13 2549./
PLOG /0.025 5.52E+19 -2.35 7229./
PLOG /0.1 4.61E+23 -3.35 13059./
PLOG /1. 8.19E+16 -1.59 4204./
PLOG /10. 1.22E+22 -2.77 17186./
PLOG /100. 3.10E+18 -1.61 22113./
C4H2+H=nC4H3 4.17E+32 -6.49 9726.
PLOG/0.013 1.44E+63 -15.66 24018./
PLOG/0.013 4.17E+32 -6.49 9726./
PLOG/0.118 1.91E+47 -13.616 22832/
PLOG/0.118 1.61E+26 -5.6133 9389.7/
PLOG/1.000 7.30E+49 -11.049 21571 /
PLOG/1.000 3.47E+26 -4.3335 8703.8 /
PLOG/10.00 1.91E+41 -8.1799 19790/
PLOG/10.00 1.05E+25 -3.7911 8465.8/
PLOG/10.00 6.00E+35 -6.3292 19322/
PLOG/10.00 5.52E+20 -2.3188 7603./
C4H2+H(+M)=iC4H3(+M) 4.31E+10 1.16 1753.
LOW /2.30E+45 -8.10 2507. /
TROE /0.0748 1.0E-50 -4215.9 1.0E50/
H2/2.0/ CO/2.0/ CO2/3.0/ H2O/9.0/
C4H2+O=C3H2+CO 2.70E+13 0.00 1720.
C4H2+CH=C5H2+H 1.00E+14 0.00 0.
C4H2+CH2=H2CCCCCH+H 1.30E+13 0.00 4326.
C4H2+CH2(S)=H2CCCCCH+H 1.70E+15 -0.39 0.
C4H2+C2H=C6H2+H 9.60E+13 0.00 0.
C4H2+C2H=C6H3 1.10E+30 -6.30 2790.0
PLOG / 0.026 1.10E+30 -6.30 2790.0/
PLOG / 0.118 1.30E+30 -6.12 2510.0/
PLOG / 1.00 4.50E+37 -7.68 7100.0/
iC4H3+O=CH2CO+C2H 6.00E+13 0.00 0.
nC4H3 = iC4H3 4.10E+43 -9.49 53000.0
nC4H3 + H = iC4H3 + H 2.50E+20 -1.67 10800.0
nC4H3 + H = C4H4 2.00E+47 -10.26 13070.0
nC4H3+H = C4H2+H2 3.00E+13 0.00 0.
nC4H3+OH = C4H2+H2O 2.00E+12 0.00 0.
nC4H3 + C2H2 = l-C6H4 + H 1.40E+15 -0.81 10000.
PLOG/0.013 1.40E+15 -0.81 10000./
PLOG/0.026 3.70E+16 -1.21 11100./
PLOG/0.118 1.80E+19 -1.95 13200. /
PLOG/1.000 2.50E+14 -0.56 10600./
PLOG/10.00 1.20E+17 -1.28 13700./
nC4H3 + C2H2 = C6H5 9.60E+70 -17.77 31300.
PLOG/0.013 1.40E+67 -17.42 23000./
PLOG/0.026 2.30E+68 -17.65 24400./
PLOG/0.118 9.80E+68 -17.58 26500. /
PLOG/1.000 9.60E+70 -17.77 31300./
PLOG/10.00 1.90E+63 -15.25 30600./
nC4H3 + C2H2 = o-C6H4 + H 6.90E+46 -10.01 30100.
PLOG/0.013 9.20E+33 -6.57 15900./
PLOG/0.026 1.90E+36 -7.21 17900./
PLOG/0.118 3.50E+41 -8.63 23000./
PLOG/1.000 6.90E+46 -10.01 30100./
PLOG/10.00 3.10E+49 -10.59 37700./
iC4H3 + H = C2H2 + H2CC 2.80E+23 -2.55 10780.0
iC4H3 + H = C4H4 3.40E+43 -9.01 12120.0
iC4H3+H = C4H2+H2 6.00E+13 0.00 0.
iC4H3+OH = C4H2+H2O 4.00E+12 0.00 0.
iC4H3+O2 = HCCO+CH2CO 7.86E+16 -1.80 0.
C4H4 + H = nC4H5 1.30E+51 -11.92 16500.
PLOG/0.013 1.20E+51 -12.57 12300. /
PLOG/0.026 4.20E+50 -12.34 12500./
PLOG/0.118 1.10E+50 -11.94 13400./
PLOG/1.000 1.30E+51 -11.92 16500./
PLOG/10.00 6.20E+45 -10.08 15800./
C4H4 + H = iC4H5 4.90E+51 -11.92 17700.
PLOG/0.013 6.10E+53 -13.19 14200. /
PLOG/0.026 9.60E+52 -12.85 14300./
PLOG/0.118 2.10E+52 -12.44 15500./
PLOG/1.000 4.90E+51 -11.92 17700./
PLOG/10.00 1.50E+48 -10.58 18800./
C4H4+H = nC4H3+H2 6.65E+05 2.53 12240.
C4H4+H = iC4H3+H2 3.33E+05 2.53 9240.
C4H4+OH = nC4H3+H2O 3.10E+07 2.0 3430.
C4H4+OH = iC4H3+H2O 1.55E+07 2.0 430.
C4H4+O = C3H3+HCO 6.00E+08 1.45 -860.
C4H4+C2H = l-C6H4+H 1.20E+13 0.0 0.
nC4H5+OH=C4H4+H2O 2.00E+13 0.00 0.
nC4H5+OH=HCO+aC3H5 3.00E+13 0.00 0.
nC4H5+H=C4H4+H2 3.00E+13 0.00 0.
nC4H5+O=CO+aC3H5 6.00E+13 0.00 0.
nC4H5+O2=CH2CO+CH2HCO 1.00E+13 0.00 0.
nC4H5+C2H=FC6H6 4.00E+12 0.00 0.
nC4H5+C2H=C6H5+H 1.60E+13 0.00 0.
nC4H5+C2H=C4H4+C2H2 3.00E+12 0.00 5000.
iC4H5+O=C2H3+CH2CO 3.00E+13 0.00 0.0
iC4H5+O=CH2O+C3H3 3.00E+13 0.00 0.0
iC4H5+H=C3H3+CH3 1.00E+14 0.00 0.
iC4H5+H=C2H2+C2H4 3.00E+13 0.00 0.
iC4H5+OH=C4H4+H2O 2.00E+13 0.00 0.
iC4H5+OH=C2H4+CH2CO 2.00E+13 0.00 0.
iC4H5+OH=CH2O+aC3H4 2.00E+13 0.00 0.
iC4H5+OH=CH2OH+C3H3 3.00E+12 0.00 0.
iC4H5+O2=CH2HCO+CH2CO 7.40E+15 -1.37 11910.
iC4H5+O2=C2H3CO+CH2O 4.52E+19 -2.20 9990.
iC4H5+C2H=FC6H6 1.00E+13 0.00 0.0
iC4H5+C2H=C6H5+H 6.00E+12 0.00 0.0
iC4H5+C2H=2C3H3 4.00E+12 0.00 0.0
iC4H5+C2H=C4H4+C2H2 3.00E+12 0.00 5000.0
nC4H5+C2H2=H+C6H6 2.94E+16 -1.09 9257.
PLOG /0.01 1.37E+16 -1.00 8896./
PLOG /0.025 2.94E+16 -1.09 9259./
PLOG /0.1 1.37E+16 -1.00 8898./
PLOG /1. 1.37E+16 -1.00 8900./
PLOG /10. 1.69E+16 -1.03 8967./
PLOG /100. 1.65E+16 -1.01 9480./
nC4H5+C2H2=H+FC6H6 1.52E+15 -0.76 8762.
PLOG /0.01 1.52E+15 -0.76 8766./
PLOG /0.025 1.52E+15 -0.76 8766./
PLOG /0.1 1.53E+15 -0.76 8766./
PLOG /1. 4.62E+15 -0.89 9142./
PLOG /10. 1.74E+19 -1.86 12382./
PLOG /100. 1.23E+20 -2.00 16152./
iC4H5+C2H2=H+C6H6 1.47E+23 -3.28 24907.
PLOG /0.01 1.47E+23 -3.28 24907./
PLOG /0.025 1.47E+23 -3.28 24907./
PLOG /0.1 1.47E+23 -3.28 24907./
PLOG /1. 1.67E+23 -3.30 24959./
PLOG /10. 8.25E+24 -3.76 24562./
PLOG /100. 5.37E+32 -5.84 35023./
iC4H5+C2H2=H+FC6H6 1.01E+34 -5.94 28786.
PLOG /0.01 6.50E+24 -3.44 20319./
PLOG /0.025 1.01E+34 -5.94 28786./
PLOG /0.1 6.50E+24 -3.44 20319./
PLOG /1. 6.80E+24 -3.45 20337./
PLOG /10. 9.70E+25 -3.76 21326./
PLOG /100. 5.22E+41 -7.94 39597./
iC4H5+C2H2=H+C4H5C2H 5.70E+18 -1.43 30351.
PLOG /0.01 5.59E+18 -1.43 30341./
PLOG /0.025 5.70E+18 -1.43 30351./
PLOG /0.1 7.29E+18 -1.46 30465./
PLOG /1. 5.59E+18 -1.43 30341./
PLOG /10. 5.62E+19 -1.69 31434./
PLOG /100. 4.70E+23 -2.73 36142./
nC4H5 + H = iC4H5 + H 6.00E+13 0 0.00
C4H6-13 = iC4H5 + H 8.20E+51 -10.92 118409.
PLOG / 0.026 8.20E+51 -10.92 118409./
PLOG / 0.118 3.30E+45 -8.95 115934./
PLOG / 1.00 5.70E+36 -6.27 112353./
C4H6-13 = nC4H5 + H 3.50E+61 -13.87 129677.
PLOG / 0.026 3.50E+61 -13.87 129677./
PLOG / 0.118 8.50E+54 -11.78 127472./
PLOG / 1.00 5.30E+44 -8.62 123608./
C4H6-13 = C4H4+H2 2.50E+15 0.0 94700.
C4H6-13+H = nC4H5+H2 1.33E+06 2.53 12240.
C4H6-13+H = iC4H5+H2 6.65E+05 2.53 9240.
C4H6-13+H = C2H4+C2H3 1.46E+30 -4.34 21647.
C4H6-13+O=CH3CHCHCO+H 1.50E+08 1.45 -860.
C4H6-13+O=CH2CHCHCHO+H 4.50E+08 1.45 -860.
C4H6-13+O=nC4H5+OH 7.50E+06 1.90 3740.
C4H6-13+O=iC4H5+OH 7.50E+06 1.90 3740.
C4H6-13+H=pC3H4+CH3 2.00E+12 0.00 7000.
C4H6-13+H=aC3H4+CH3 2.00E+12 0.00 7000.
C4H6-13+OH=CH3HCO+C2H3 6.30E+12 0.00 -874.
C4H6-13+OH=aC3H5+CH2O 6.30E+12 0.00 -874.
C4H6-13+OH=nC4H5+H2O 1.53E+06 2.07 1905.
DUPLICATE
C4H6-13+OH=nC4H5+H2O 3.49E+06 2.04 4292.
DUPLICATE
C4H6-13+OH=iC4H5+H2O 1.54E+06 2.07 1441.
DUPLICATE
C4H6-13+OH=iC4H5+H2O 1.62E+07 1.99 2150.
DUPLICATE
C4H6-13+CH3=nC4H5+CH4 2.00E+14 0.00 22800.
C4H6-13+CH3=iC4H5+CH4 1.00E+14 0.00 19800.
C4H6-12=iC4H5+H 4.20E+15 0.00 92600.
C4H6-12+H=C4H6-13+H 2.00E+13 0.00 4000.
C4H6-12+H=iC4H5+H2 1.70E+05 2.50 2490.
C4H6-12+H=aC3H4+CH3 2.00E+13 0.00 2000.
C4H6-12+H=pC3H4+CH3 2.00E+13 0.00 2000.
C4H6-12+O=CH2CO+C2H4 1.20E+08 1.65 327.
C4H6-12+O=iC4H5+OH 1.80E+11 0.70 5880.
C4H6-12+OH=iC4H5+H2O 3.10E+06 2.00 -298.
C4H6-12=C4H6-13 3.00E+13 0.00 65000.
C4H6-12+CH3=iC4H5+CH4 7.00E+13 0.00 18500.
C4H6-2=C4H6-13 3.00E+13 0.00 65000.
C4H6-2=C4H6-12 3.00E+13 0.00 67000.
C4H6-2+H=C4H6-12+H 2.00E+13 0.00 4000.
C4H6-2+H=iC4H5+H2 3.40E+05 2.50 2490.
C4H6-2+H=CH3+pC3H4 2.60E+05 2.50 1000.
C4H6-2=H+iC4H5 5.00E+15 0.00 87300.
C4H6-2+CH3=iC4H5+CH4 1.40E+14 0.00 18500.
C5H2+O=C4H2+CO 6.00E+13 0.00 0.
C5H2+OH=C4H2+CO+H 2.50E+13 0.00 0.
C5H2+CH=C6H2+H 1.00E+14 0.00 0.0
H2CCCCCH+OH=C5H2+H2O 2.00E+13 0.00 0.
HCCCHCCH+OH=C5H2+H2O 2.00E+13 0.00 0.
H2CCCCCH+O=C4H+CH2O 8.00E+13 0.00 0.
HCCCHCCH+O=C3H2+HCCO 8.00E+13 0.00 0.
H2CCCCCH+H=C5H2+H2 4.00E+13 0.00 0.
HCCCHCCH+H=C5H2+H2 4.00E+13 0.00 0.
H2CCCCCH+CH3=C5H2+CH4 3.00E+12 0.00 5000.
HCCCHCCH+CH3=C5H2+CH4 3.00E+12 0.00 5000.
HCCCHCCH+H=H2CCCCCH+H 1.00E+13 0.00 0.
H2CCCCCH+CH3=FC6H6 1.00E+11 0.00 0.0
H2CCCCCH+CH3=C6H5+H 1.00E+11 0.00 0.0
H2CCCCCH+CH3=C6H6 5.00E+10 0.00 0.0
HCCCHCCH+CH3=FC6H6 1.00E+11 0.00 0.
HCCCHCCH+CH3=C6H5+H 1.00E+11 0.00 0.
C6H2+H=C6H3 1.10E+30 -4.92 10800.0
C6H2+O=C5H2+CO 2.70E+13 0.00 1720.
C6H2+OH=HCCCHCCH+CO 1.68E+28 -4.59 20140.
C6H3+H=C4H2+C2H2 2.40E+19 -1.60 2800.
C6H3+H=C6H2+H2 4.00E+13 0.00 0.
C6H3+OH=C6H2+H2O 2.00E+13 0.00 0.
C6H3+O2=>CO+C3H2+HCCO 5.00E+11 0.00 0.
o-C6H4=C2H2+C4H2 1.95E+90 -21.30 139390.
o-C6H4+OH=C5H5+CO 1.00E+13 0.00 0.
o-C6H4+O=OH+C6H3 1.00E+13 0.00 0.
C6H5(+M)=o-C6H4+H(+M) 4.30E+12 0.62 77313.
LOW/ 1.00E+84 -18.87 90064 /
TROE/ 0.902, 696., 358., 3856. /
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/
C6H5+H=o-C6H4+H2 1.10E+06 2.36 4931.
C6H5+O=C5H5+CO 1.00E+14 0.00 0.
C6H5+OH=C6H5O+H 5.00E+13 0.00 0.
C6H5+OH=o-C6H4+H2O 1.00E+07 2.00 1000.
C6H5+O2=C6H5O+O 1.02E+13 0.00 3580.
C6H5+O2=C6H4O2+H 4.50E+12 0.00 3590.
C6H5+HO2=C6H5O+OH 5.00E+13 0.00 1000.
C6H5+H2=C6H6+H 5.71E+04 2.43 6277.
C6H5+CH4=C6H6+CH3 6.03E+12 0.00 12321.
C6H5+C2H4=C6H6+C2H3 5.69E-02 4.47 4471.
C6H5O=C5H5+CO 1.01E+11 0.00 43900.
C6H5O+H=C5H6+CO 5.00E+13 0.00 0.
C6H5O+O=C5H5+CO2 2.00E+13 0.00 0.
C6H5O+O=C6H4O2+H 1.20E+14 0.00 0.
C6H4O2=C5H4O+CO 7.40E+10 0.00 59020.
C6H4O2+H=CO+C5H5O 4.30E+09 1.45 3900.
C6H4O2+O=2CO+C2H2+CH2CO 3.00E+13 0.00 5000.
C6H6+OH=C6H5+H2O 2.34E+04 2.68 733.
C6H6+OH=C6H5OH+H 1.32E+02 3.25 5589.
C6H6+O=C6H5O+H 1.98E+07 1.80 3974.
C6H6+O=C6H5OH 1.50E+29 -4.72 13342.
DUPLICATE
C6H6+O=C6H5OH 8.31E+04 -5.04 9356.
DUPLICATE
C6H6+O=C5H6+CO 7.20E+13 0.12 11777.
C6H6+O2=C6H5+HO2 6.30E+13 0.00 60000.
C6H5OH=C5H6+CO 8.62E+15 -0.61 74115.
C6H5OH+H=C6H5O+H2 1.15E+14 0.00 12400.
C6H5OH+OH=H2O+C6H5O 1.00E+13 0.00 880.
C6H5OH+O=C6H5O+OH 1.69E+13 0.00 3060.
O(SING)+O3=O2+O2 7.20E+13 0 0
O(SING)+O3=O+O+O2 7.20E+13 0 0
O(SING)+CO2=O+CO2 4.46E+13 0 239
O(SING)+AR=O+AR 1.26E+13 0 616
O(SING)+HE=O+HE 1.50E+13 0 616.
O(SING)+N2=N2+O 1.32E+13 0 -234
O(SING)+H2=OH+H 8.31E+13 0 -41.7
O(SING)+O2=O+O2 1.87E+13 0 -173
O(SING)+CO=O+CO 2.83E+13 0 124
O(SING)+H2O2=HO2+OH 1.00E+14 0 0.
O(SING)+H2O=OH+OH 1.02E+14 0 -71.5
O(SING)+CH4=CH3+OH 8.73E+13 0 0
O(SING)+CH4=CH2OH+H 2.06E+13 0 0
O(SING)+CH4=CH2O+H2 5.70E+12 0 0
O(SING)+CH3OH=CH2OH+OH 1.80E+14 0 0
O(SING)+CH3OH=HOCHO+2H 5.40E+13 0 0
O(SING)+CH2O=CO+H2O 1.00E+14 0 0.
O+O+M=O2(SING)+M 1.00E+16 -1 0
AR/1.0/ O/28.8/ O2/8.0/ N2/2.0/ HE/1.2/
O2(SING)+M=O2+M 1.80E+06 0 397
AR/0.06/ O/0.0/ O2/1.0/ N2/0.1/ HE/0.07/
O2(SING)+O=O2+O 4.20E+08 0 0
O2(SING) + O + O2 = O2 + O + O2 9.066E+15 0.00 0.00
O2(SING) + O + AR = O2 + O + AR 5.712E+15 0.00 0.00
O2(SING)+O3=O2+O+O2 3.13E+13 0 5644
O2(SING)+H=OH+O 3.85E+10 1 4928
DUPLICATE
O2(SING)+H=OH+O 1.17E+07 1.56 1252
DUPLICATE
O2(SING)+H=H+O2 5.29E+10 0.68 5613
DUPLICATE
O2(SING)+H=H+O2 5.36E+06 1.4 1609
DUPLICATE
H+HO2=H2+O2(SING) 1.64E+08 1.63 15280.
O2(SING)+H2O=OH+HO2 2.05E+14 0.00 56037.
O2(SING)+CH3=CH3O2 2.76E-07 -2.71 8610.
O2(SING)+CH3=CH2O+OH 5.76E-17 1.63 6900.
O2(SING)+CH3=CH3O+O 1.70E-20 2.68 6600.
O2(SING)+CH4=CH3+HO2 7.06E+07 1.97 33520
O2(SING)+CH2O=HO2+HCO 1.00E+14 0.00 23000.
O3(+M)=O2+O(+M) 1.37E+15 -0.67 25990
LOW /2.207E+28 -4.37 28116/
TROE /0.6417 3.91E-04 8680.74 6060.75/
AR/1.0/ HE/1.2/ N2/1.3/ H2/3.0/ O2/1.3/ O3/3.75/ O/6.0/
O3+O=O2+O2 4.82E+12 0 4094
O3+O=O2(SING)+O2 1.44E+11 0 4094
O3+H=O2+OH 8.43E+13 0 934
O3+H=O+HO2 4.52E+11 0 0
O3+OH=O2+HO2 1.85E+11 0 831
O3+H2O=O2+H2O2 6.62E+01 0 0
O3+HO2=OH+O2+O2 6.62E+09 0 994
O3+CO<=>O2+CO2 6.02E+02 0.00 0.00
O3+HCO<=>O2+H+CO2 5.00E+11 0.00 0.00
O3+CH3=CH3O+O2 5.83E+10 0 0
CH3HCO = CH3+HCO 7.000E+15 0.00 8.1674E+04
CH3HCO+OH = CH2HCO+H2O 3.370E+11 0.00 -6.200E+02
CH3HCO+O = CH2HCO+OH 3.720E+13 -0.20 3.556E+03
CH3HCO+CH3 = CH2HCO+CH4 2.450E+01 3.15 5.727E+03
CH2CO+H = HCCO+H2 2.000E+14 0.00 8.000E+03
CH2CO+O = HCCO+OH 1.000E+13 0.00 8.000E+03
CH2HCO+CH3 = C2H5+CO+H 4.900E+14 -0.50 0.000E+00
CH2HCO+HO2 = CH2O+HCO+OH 7.000E+12 0.00 0.000E+00
CH2HCO+HO2 = CH3HCO+O2 3.000E+12 0.00 0.000E+00
CH2HCO = CH3+CO 1.170E+43 -9.83 4.3756E+04
CH2HCO = CH2CO+H 1.810E+43 -9.61 4.5868E+04
H+CH2OH(+M) = CH3OH(+M) 1.055E+12 0.50 8.600E+01
LOW / 4.360E+31 -4.650 5080.00/
TROE/ .600 100.00 90000.0 10000.0 /
H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/
H+CH3O(+M) = CH3OH(+M) 2.430E+12 0.515 5.000E+01
LOW / 4.660E+41 -7.440 14080.0/
TROE/ .700 100.00 90000.0 10000.00 /
H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/
C2H5OH = CH3+CH2OH 1.260E+51 -10.59 1.00869E+05
C2H5OH = C2H4+H2O 8.800E+25 -3.68 7.0799E+04
C2H5OH+OH = C2H4OH+H2O 1.810E+11 0.39 7.165E+02
C2H5OH+OH = CH3CHOH+H2O 3.090E+10 0.49 -3.798E+02
C2H5OH+OH = CH3CH2O+H2O 1.050E+10 0.79 7.169E+02
C2H5OH+H = C2H4OH+H2 1.900E+07 1.80 5.098E+03
C2H5OH+H = CH3CHOH+H2 2.580E+07 1.65 2.827E+03
C2H5OH+H = CH3CH2O+H2 1.500E+07 1.60 3.038E+03
C2H5OH+O = C2H4OH+OH 9.410E+07 1.70 5.459E+03
C2H5OH+O = CH3CHOH+OH 1.880E+07 1.85 1.824E+03
C2H5OH+O = CH3CH2O+OH 1.580E+07 2.00 4.448E+03
C2H5OH+CH3 = C2H4OH+CH4 2.190E+02 3.18 9.622E+03
C2H5OH+CH3 = CH3CHOH+CH4 7.280E+02 2.99 7.948E+03
C2H5OH+CH3 = CH3CH2O+CH4 1.450E+02 2.99 7.649E+03
C2H5OH+HO2 = CH3CHOH+H2O2 8.200E+03 2.55 1.075E+04
C2H5OH+HO2 = C2H4OH+H2O2 2.430E+04 2.55 1.575E+04
C2H5OH+HO2 = CH3CH2O+H2O2 3.800E+12 0.00 2.400E+04
CH3CH2O+M = CH3HCO+H+M 5.600E+34 -5.89 2.5274E+04
CH3CH2O+M = CH3+CH2O+M 5.350E+37 -6.96 2.380E+04
CH3CH2O+O2 = CH3HCO+HO2 4.000E+10 0.00 1.100E+03
CH3CH2O+CO = C2H5+CO2 4.680E+02 3.16 5.380E+03
CH3CH2O+H = CH3+CH2OH 3.000E+13 0.00 0.000E+00
CH3CH2O+H = C2H4+H2O 3.000E+13 0.00 0.000E+00
CH3CH2O+OH = CH3HCO+H2O 1.000E+13 0.00 0.000E+00
CH3CHOH+O2 = CH3HCO+HO2 4.820E+13 0.00 5.017E+03
DUPLICATE
CH3CHOH+O2 = CH3HCO+HO2 8.430E+14 -1.20 0.000E+00
DUPLICATE
CH3CHOH+O = CH3HCO+OH 1.000E+14 0.00 0.000E+00
CH3CHOH+H = C2H4+H2O 3.000E+13 0.00 0.000E+00
CH3CHOH+H = CH3+CH2OH 3.000E+13 0.00 0.000E+00
CH3CHOH+HO2 = CH3HCO+OH+OH 4.000E+13 0.00 0.000E+00
CH3CHOH+OH = CH3HCO+H2O 5.000E+12 0.00 0.000E+00
CH3CHOH+M = CH3HCO+H+M 1.000E+14 0.00 2.500E+04
C2H4OH+O2 = HOC2H4O2 1.000E+12 0.00 -1.100E+03
HOC2H4O2 = CH2O+CH2O+OH 1.800E+11 0.00 2.450E+04
C2H5+HO2 = CH3CH2O+OH 4.000E+13 0.00 0.000E+00
CH3OCH3(+M)=CH3O+CH3(+M) 2.33E+19 -0.66 84139.
LOW /1.72E+59 -11.40 93295.6/
TROE /1.0 1.0E-30 880./
H2/3.0/ H2O/9.0/ CH4/3.0/ CO/2.25/ CO2/3.0/ C2H6/4.5/ AR/1.0/ N2/1.50/ CH3OCH3/5/
CH3OCH3+OH = CH3OCH2+H2O 2.10E+07 1.89 -421
CH3OCH3+H = CH3OCH2+H2 7.72E+06 2.09 3384
CH3+CH3OCH3=CH4+CH3OCH2 10. 3.78 9631
CH3OCH3+O = CH3OCH2+OH 5.813E+08 1.36 2813
CH3OCH3+HO2 = CH3OCH2+H2O2 2.520E+13 0.00 1.650E+04
CH3OCH3+O2 = CH3OCH2+HO2 4.100E+13 0.00 4.491E+04
CH3OCH3+CH3O = CH3OCH2+CH3OH 6.020E+11 0.00 4.074E+03
CH3OCH3+CH3OCH2O2 = CH3OCH2+CH3OCH2O2H 5.000E+12 0.00 1.769E+04
CH3OCH2<=>CH3+CH2O 8.03e+12 0.440284 26490.7
PLOG/ 1.00e-02 7.494e+23 -4.5152 25236.1/
PLOG/ 1.00e-01 6.921e+28 -5.7271 27494.9/
PLOG/ 1.00e+00 4.229e+29 -5.6103 28898.3/
PLOG/ 1.00e+01 6.608e+27 -4.7073 29735.2/
PLOG/ 1.00e+02 2.659e+29 -4.9358 31785.5/
CH3OCH2+CH3O = CH3OCH3+CH2O 2.410E+13 0.00 0.000E+00
CH3OCH2+CH2O = CH3OCH3+HCO 5.490E+03 2.80 5.862E+03
CH3OCH2+HO2 = CH3OCH2O+OH 9.000E+12 0.00 0.000E+00
CH3OCH2O<=>CH3OCHO+H 3.300e+013 0.004 26136.3
CH3OCHO = CH3+OCHO 1.392E+18 -0.99 7.914E+04
CH3OCHO+O2 = CH3OCO+HO2 1.000E+13 0.00 4.970E+04
CH3OCHO+OH = CH3OCO+H2O 2.340E+07 1.61 -3.500E+01
CH3OCHO+HO2 = CH3OCO+H2O2 1.220E+12 0.00 1.700E+04
CH3OCHO+O = CH3OCO+OH 2.350E+05 2.50 2.230E+03
CH3OCHO+H = CH3OCO+H2 4.550E+06 2.00 5.000E+03
CH3OCHO+CH3 = CH3OCO+CH4 7.550E-01 3.46 5.481E+03
CH3OCHO+CH3O = CH3OCO+CH3OH 5.480E+11 0.00 5.000E+03
CH3OCO = CH3O+CO 7.451E+12 -1.76 1.715E+04
CH3OCO = CH3+CO2 1.514E+12 -1.78 1.382E+04
OCHO+M = H+CO2+M 2.443E+15 -0.50 2.650E+04
CH3OCH2+O2 = CH3OCH2O2 2.000E+12 0.00 0.000E+00
CH3OCH2O2+CH2O = CH3OCH2O2H+HCO 1.000E+12 0.00 1.167E+04
CH3OCH2O2 + CH3OCH2O2 = O2 + CH3OCH2O + CH3OCH2O 2.28E23 -4.5 0.0
PLOG/ 0.03289 8.7682E+20 -4.0206 -700.070/
PLOG/ 0.06579 9.1063E+20 -3.9813 -700.067/
PLOG/ 0.13158 5.67034E+23 -5.07465 -700.067/
PLOG/ 0.26316 5.36207E+22 -4.64244 -700.067/
PLOG/ 0.526316 1.25374E+21 -3.93198 -700.067/
PLOG/ 0.78947 4.37972E+19 -3.3345 -700.067/
PLOG/ 1.05263 1.48289E+20 -3.51727 -698.022/
PLOG/ 100 1.60E+23 -4.5 0/
CH3OCH2O2+CH3OCH2O2 = O2+CH3OCHO+CH3OCH2OH 2.28E23 -4.5 0.0
PLOG/ 0.03289 3.76E+20 -4.0206 -700.070/
PLOG/ 0.06579 3.90E+20 -3.9813 -700.067/
PLOG/ 0.13158 2.43E+23 -5.07465 -700.067/
PLOG/ 0.26316 2.30E+22 -4.64244 -700.067/
PLOG/ 0.526316 5.37E+20 -3.93198 -700.067/
PLOG/ 0.78947 1.88E+19 -3.3345 -700.067/
PLOG/ 1.05263 6.36E+19 -3.51727 -698.022/
PLOG/ 100 6.84E+22 -4.5 0/
CH3OCH2O2H = CH3OCH2O+OH 2.106E+22 -2.12 4.383E+04
CH3OCH2O = CH3O+CH2O 9.722E+15 -1.10 2.064E+04
CH3OCH2O+O2 = CH3OCHO+HO2 4.380E-19 9.500 -5501.0
CH3OCH2O2 = CH2OCH2O2H 6.000E+10 0.00 2.150E+04
CH2OCH2O2H = OH+CH2O+CH2O 1.500E+13 0.00 2.050E+04
CH2OCH2O2H+O2<=>O2CH2OCH2O2H 1.0 1.0 1.0
PLOG/ 1.000e-003 9.420e+012 -1.68 -4998./
PLOG/ 1.000e-002 8.160e+016 -2.50 -2753./
PLOG/ 1.000e+000 1.060e+022 -3.30 3389./
PLOG/ 2.000e+000 3.480e+020 -2.79 3131./
PLOG/ 1.000e+001 2.860e+016 -1.48 1873./
PLOG/ 2.000e+001 8.550e+014 -1.01 1312./
PLOG/ 5.000e+001 2.680e+013 -0.54 727./
PLOG/ 1.000e+002 4.870e+012 -0.32 428./
O2CH2OCH2O2H = HO2CH2OCHO+OH 1.0 1.0 1.0
PLOG/ 1.000e-003 9.050e+023 -4.88 18805./
PLOG/ 1.000e-002 6.840e+026 -5.32 22533./
PLOG/ 1.000e+000 5.070e+016 -1.81 21175./
PLOG/ 2.000e+000 2.660e+014 -1.11 20310./
PLOG/ 1.000e+001 1.690e+010 0.18 18604./
PLOG/ 2.000e+001 1.110e+009 0.54 18100./
PLOG/ 5.000e+001 1.070e+008 0.84 17661./
PLOG/ 1.000e+002 3.860e+007 0.98 17467./
HO2CH2OCHO = OCH2OCHO+OH 3.000E+16 0.00 4.000E+04
DUPLICATE
HO2CH2OCHO = OCH2OCHO+OH 4.000E+15 0.00 40900.0
DUPLICATE
OCH2OCHO = HOCH2OCO 1.000E+11 0.00 1.400E+04
HOCH2OCO = HOCH2O+CO 2.177E+16 -2.69 1.720E+04
HOCH2OCO = CH2OH+CO2 1.117E+17 -1.526 20771.9
HOCH2O = HOCHO+H 1.320e+015 0.004 26163.3
CH2O+OH = HOCH2O 4.500E+15 -1.11 0.000E+00
HOCHO+M = CO+H2O+M 2.300E+13 0.00 5.000E+04
HOCHO+M = CO2+H2+M 1.500E+16 0.00 5.700E+04
HOCHO = HCO+OH 4.593E+18 -0.46 1.083E+05
HOCHO+OH = H2O+CO2+H 2.620E+06 2.06 9.160E+02
HOCHO+OH = H2O+CO+OH 1.850E+07 1.51 -9.620E+02
HOCHO+H = H2+CO2+H 4.240E+06 2.10 4.868E+03
HOCHO+H = H2+CO+OH 6.030E+13 -0.35 2.988E+03
HOCHO+CH3 = CH4+CO+OH 3.900E-07 5.80 2.200E+03
HOCHO+HO2 = H2O2+CO+OH 1.000E+12 0.00 1.192E+04
HOCHO+O = CO+OH+OH 1.770E+18 -1.90 2.975E+03
OCH2OCHO => HOCHO+HCO 5.17E+20 -3.78 11396
PLOG /1 5.17E+20 -3.78 11396 /
PLOG /10 3.18E+25 -4.88 14509 /
PLOG /1E6 1.10E+10 0.72 13200 /
CH2OCH2O2H=C2H4O2#4+OH 4.88E+12 -0.084 22133.0
C2H4O2#4+H=>H2+CH2O+HCO 7.31 4.00 1.84e3
C2H4O2#4+O=>OH+CH2O+HCO 1.79e7 2.00 2629
C2H4O2#4+OH=>H2O+CH2O+HCO 3.39e6 2.07 -521
C2H4O2#4+HO2=>H2O2+CH2O+HCO 1.33e13 0 16500
C2H4O2#4=CH2O+CH2O 3.92e12 0.676 39834.0
CH2OCHO+H<=>CH3OCHO 1.000e+014 0.000 0.0
CH3OCO+H<=>CH3OCHO 1.000e+014 0.000 0.0
CH3O+HCO<=>CH3OCHO 3.000e+013 0.000 0.0
CH3OCHO+O2<=>CH2OCHO+HO2 2.050e+013 0.000 52000.0
CH3OCHO+OH<=>CH2OCHO+H2O 5.270e+009 0.970 1586.0
CH3OCHO+HO2<=>CH2OCHO+H2O2 2.380e+004 2.550 16490.0
CH3OCHO+O<=>CH2OCHO+OH 9.800e+005 2.430 4750.0
CH3OCHO+H<=>CH2OCHO+H2 6.650e+005 2.540 6756.0
CH3OCHO+CH3<=>CH2OCHO+CH4 4.520e-001 3.650 7154.0
CH3OCHO+CH3O<=>CH2OCHO+CH3OH 2.170e+011 0.000 6458.0
CH3OCHO+CH3O2<=>CH3OCO+CH3O2H 4.820e+003 2.600 13910.0
CH3OCHO+CH3O2<=>CH2OCHO+CH3O2H 2.380e+004 2.550 16490.0
CH3OCHO+HCO<=>CH3OCO+CH2O 5.400e+006 1.900 17010.0
CH3OCHO+HCO<=>CH2OCHO+CH2O 1.025e+005 2.500 18430.0
CH3OCO<=>CH2OCHO 1.629e+012 -0.180 40670.0
CH2O+HCO<=>CH2OCHO 1.500e+011 0.000 11900.0
HOCHO + H = HOCO + H2 2.3E+02 3.272 4858.215
HOCHO + O = HOCO + OH 5.1E+01 3.422 4216.414
HOCHO + O = OCHO + OH 1.7E+05 2.103 9879.364
HOCHO + OH= OCHO + H2O 4.9E-05 4.910 -5066.85
HOCHO + HO2=HOCO + H2O2 4.7E-01 3.975 16727.04
HOCHO + HO2=OCHO + H2O2 3.9E+01 3.080 25205.095
CO + OH=HOCO 2.0E+20 -3.50 1309.433
HOCO + H = CO2 + H2 3.1E+17 -1.3475 554.373
HOCO + H = CO + H2O 6.0E+15 -0.525 2124.103
HOCO + O = CO2 + OH 9.0E+12 0.000 0.0000
CO + H2O2 = HOCO + OH 3.6E+04 2.500 28660.488
HOCO + HO2 = CO2 + H2O2 4.0E+13 0.000 0.0000
HOCO + O2 = CO2 + HO2 4.0E+09 1.000 0.0000
OCHO + O2 = CO2 + HO2 5.0E+13 0.000 0.0000
HOCHO + H = OCHO + H2 4.2E+05 2.255 14091.804
HOCO + OH = CO2 + H2O 4.6E+12 0.000 -89.415
DUPLICATE
HOCO + OH = CO2 + H2O 9.5E+06 2.000 -89.415
DUPLICATE
HOCO + HO2=HOCHO + O2 4.0E+11 0.000 0.00000
HOCHO + O2=OCHO + HO2 3.0E+13 0.000 62987.9
OCHO = CO2 + H 1.0E+10 0.000 0.0000
CH3OCH2+O2=CH2O+CH2O+OH 9.53E+10 0.4 3416.0
CH3OCH2O2+CH3HCO<=>CH3OCH2O2H+CH3CO 2.800e+012 0.000 13600.0
CH3OCH3+CH3O2<=>CH3OCH2+CH3O2H 1.268e-003 4.640 10556.0
CH3OCH2+CH3HCO<=>CH3OCH3+CH3CO 1.260e+012 0.000 8499.0
CH3OCH3+O2CHO<=>CH3OCH2+HO2CHO 4.425e+004 2.600 13910.0
CH3OCH3+OCHO<=>CH3OCH2+HOCHO 1.000e+013 0.000 17690.0
HCO+O2<=>O2CHO 1.200e+011 0.000 -1100.0
CH2O+O2CHO<=>HCO+HO2CHO 1.990e+012 0.000 11660.0
OCHO+OH<=>HO2CHO 2.000e+013 0.000 0.0
C3H8+O2CHO<=>nC3H7+HO2CHO 5.520e+004 2.550 16480.0
C3H8+O2CHO<=>iC3H7+HO2CHO 1.475e+004 2.600 13910.0
END