N H O C
N2 H H2 O OH
O2 H2O2 H2O HO2 CO
CH3 CH2O CO2 CH4 C2H2
C2H4 CH2CO C2H6 C CH
HCO TXCH2 SXCH2 C2H3 C2H5
HCCO CH3CHO CH2CHO C2H5O
300.0
101325.0
N:2
121286
3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09,
-2.444854000E-12, -1.020899900E+03, 3.950372000E+00
2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10,
-6.753351000E-15, -9.227977000E+02, 5.980528000E+00
linear
97.530
3.621
0.000
1.760
4.000
H:1
L7/88
2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18,
-9.277323320E-22, 2.547365990E+04, -4.466828530E-01
2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18,
4.981973570E-22, 2.547365990E+04, -4.466829140E-01
atom
145.000
2.050
0.000
0.000
0.000
H:2
TPIS78
2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08,
-7.376117610E-12, -9.179351730E+02, 6.830102380E-01
3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10,
2.002553760E-14, -9.501589220E+02, -3.205023310E+00
linear
38.000
2.920
0.000
0.790
280.000
O:1
L1/90
3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09,
2.112659710E-12, 2.912225920E+04, 2.051933460E+00
2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11,
1.228336910E-15, 2.921757910E+04, 4.784338640E+00
atom
80.000
2.750
0.000
0.000
0.000
H:1 O:1
S9/01
4.125305610E+00, -3.225449390E-03, 6.527646910E-06, -5.798536430E-09,
2.062373790E-12, 3.381538120E+03, -6.904329600E-01
2.864728860E+00, 1.056504480E-03, -2.590827580E-07, 3.052186740E-11,
-1.331958760E-15, 3.718857740E+03, 5.701640730E+00
linear
80.000
2.750
0.000
0.000
0.000
O:2
TPIS89
3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09,
3.243728370E-12, -1.063943560E+03, 3.657675730E+00
3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10,
-2.167177940E-14, -1.088457720E+03, 5.453231290E+00
linear
107.400
3.458
0.000
1.600
3.800
H:2 O:2
L7/88
4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08,
8.624543630E-12, -1.770258210E+04, 3.435050740E+00
4.165002850E+00, 4.908316940E-03, -1.901392250E-06, 3.711859860E-10,
-2.879083050E-14, -1.786178770E+04, 2.916156620E+00
nonlinear
107.400
3.458
0.000
0.000
3.800
H:2 O:1
L8/89
4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09,
1.771978170E-12, -3.029372670E+04, -8.490322080E-01
3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11,
1.682009920E-14, -3.000429710E+04, 4.966770100E+00
nonlinear
572.400
2.605
1.844
0.000
4.000
H:1 O:2
L5/89
4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08,
9.292251240E-12, 2.948080400E+02, 3.716662450E+00
4.017210900E+00, 2.239820130E-03, -6.336581500E-07, 1.142463700E-10,
-1.079085350E-14, 1.118567130E+02, 3.785102150E+00
nonlinear
107.400
3.458
0.000
0.000
1.000
C:1 O:1
TPIS79
3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10,
-9.044244990E-13, -1.434408600E+04, 3.508409280E+00
2.715185610E+00, 2.062527430E-03, -9.988257710E-07, 2.300530080E-10,
-2.036477160E-14, -1.415187240E+04, 7.818687720E+00
linear
98.100
3.650
0.000
1.950
1.800
H:3 C:1
METHYLIU0702
3.657179700E+00, 2.126597900E-03, 5.458388300E-06, -6.618100300E-09,
2.465707400E-12, 1.642271600E+04, 1.673535400E+00
2.978120600E+00, 5.797852000E-03, -1.975580000E-06, 3.072979000E-10,
-1.791741600E-14, 1.650951300E+04, 4.722479900E+00
linear
144.000
3.800
0.000
0.000
0.000
H:2 C:1 O:1
L8/88
4.793723150E+00, -9.908333690E-03, 3.732200080E-05, -3.792852610E-08,
1.317726520E-11, -1.430895670E+04, 6.028129000E-01
1.760690080E+00, 9.200000820E-03, -4.422588130E-06, 1.006412120E-09,
-8.838556400E-14, -1.399583230E+04, 1.365632300E+01
nonlinear
498.000
3.590
0.000
0.000
2.000
C:1 O:2
L7/88
2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09,
-1.436995480E-13, -4.837196970E+04, 9.901052220E+00
3.857460290E+00, 4.414370260E-03, -2.214814040E-06, 5.234901880E-10,
-4.720841640E-14, -4.875916600E+04, 2.271638060E+00
linear
244.000
3.763
0.000
2.650
2.100
H:4 C:1
g8/99
5.149114680E+00, -1.366220090E-02, 4.914539210E-05, -4.842467670E-08,
1.666034410E-11, -1.024659830E+04, -4.638488420E+00
1.653262260E+00, 1.002630990E-02, -3.316612380E-06, 5.364831380E-10,
-3.146967580E-14, -1.000959360E+04, 9.905062830E+00
nonlinear
141.400
3.746
0.000
2.600
13.000
H:2 C:2
L1/91
8.086810940E-01, 2.336156290E-02, -3.551718150E-05, 2.801524370E-08,
-8.500729740E-12, 2.642898070E+04, 1.393970510E+01
4.147569640E+00, 5.961666640E-03, -2.372948520E-06, 4.674121710E-10,
-3.612352130E-14, 2.593599920E+04, -1.230281210E+00
linear
209.000
4.100
0.000
0.000
2.500
H:4 C:2
L1/91
3.959201480E+00, -7.570522470E-03, 5.709902920E-05, -6.915887530E-08,
2.698843730E-11, 5.089775930E+03, 4.097330960E+00
2.036111160E+00, 1.464541510E-02, -6.710779150E-06, 1.472229230E-09,
-1.257060610E-13, 4.939886140E+03, 1.030536930E+01
nonlinear
280.800
3.971
0.000
0.000
1.500
H:2 C:2 O:1
L5/90
2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09,
-2.014576150E-12, -7.042918040E+03, 1.221564800E+01
4.511297320E+00, 9.003597450E-03, -4.169396350E-06, 9.233458820E-10,
-7.948382010E-14, -7.551053110E+03, 6.322472050E-01
nonlinear
436.000
3.970
0.000
0.000
2.000
H:6 C:2
L8/88
4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08,
2.686857710E-11, -1.152220550E+04, 2.666823160E+00
1.071881500E+00, 2.168526770E-02, -1.002560670E-05, 2.214120010E-09,
-1.900028900E-13, -1.142639320E+04, 1.511561070E+01
nonlinear
252.300
4.302
0.000
0.000
1.500
C:1
L11/88
2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10,
2.665214460E-13, 8.544388320E+04, 4.531308480E+00
2.492668880E+00, 4.798892840E-05, -7.243350200E-08, 3.742910290E-11,
-4.872778930E-15, 8.545129530E+04, 4.801503730E+00
atom
71.400
3.298
0.000
0.000
0.000
H:1 C:1
TPIS79
3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09,
-1.406090670E-12, 7.079729340E+04, 2.084011080E+00
2.878464730E+00, 9.709136810E-04, 1.444456550E-07, -1.306878490E-10,
1.760793830E-14, 7.101243640E+04, 5.484979990E+00
linear
80.000
2.750
0.000
0.000
0.000
H:1 C:1 O:1
L12/89
4.221185840E+00, -3.243925320E-03, 1.377994460E-05, -1.331440930E-08,
4.337688650E-12, 3.839564960E+03, 3.394372430E+00
2.772174380E+00, 4.956955260E-03, -2.484456130E-06, 5.891617780E-10,
-5.335087110E-14, 4.011918150E+03, 9.798344920E+00
nonlinear
498.000
3.590
0.000
0.000
0.000
H:2 C:1
LS/93
3.762678670E+00, 9.688721430E-04, 2.794898410E-06, -3.850911530E-09,
1.687417190E-12, 4.600404010E+04, 1.562531850E+00
2.874101130E+00, 3.656392920E-03, -1.408945970E-06, 2.601795490E-10,
-1.877275670E-14, 4.626360400E+04, 6.171193240E+00
linear
144.000
3.800
0.000
0.000
0.000
H:2 C:1
LS/93
4.198604110E+00, -2.366614190E-03, 8.232962200E-06, -6.688159810E-09,
1.943147370E-12, 5.049681630E+04, -7.691189670E-01
2.292038420E+00, 4.655886370E-03, -2.011919470E-06, 4.179060000E-10,
-3.397163650E-14, 5.092599970E+04, 8.626501690E+00
linear
144.000
3.800
0.000
0.000
0.000
H:3 C:2
L2/92
3.212466450E+00, 1.514791620E-03, 2.592094120E-05, -3.576578470E-08,
1.471508730E-11, 3.485984680E+04, 8.510540250E+00
3.016724000E+00, 1.033022920E-02, -4.680823490E-06, 1.017632880E-09,
-8.626070410E-14, 3.461287390E+04, 7.787323780E+00
nonlinear
209.000
4.100
0.000
0.000
1.000
H:5 C:2
L12/92
4.306465680E+00, -4.186588920E-03, 4.971428070E-05, -5.991266060E-08,
2.305090040E-11, 1.284162650E+04, 4.707209240E+00
1.954656420E+00, 1.739727220E-02, -7.982066680E-06, 1.752176890E-09,
-1.496415760E-13, 1.285752000E+04, 1.346243430E+01
nonlinear
252.300
4.302
0.000
0.000
1.500
H:1 C:2 O:1
SRIC91
2.251721400E+00, 1.765502100E-02, -2.372910100E-05, 1.727575900E-08,
-5.066481100E-12, 2.005944900E+04, 1.249041700E+01
5.628205800E+00, 4.085340100E-03, -1.593454700E-06, 2.862605200E-10,
-1.940783200E-14, 1.932721500E+04, -3.930259500E+00
nonlinear
150.000
2.500
0.000
0.000
1.000
H:4 C:2 O:1
G3B3
1.406538560E+00, 2.169844380E-02, -1.475732650E-05, 7.304354780E-09,
-2.091194670E-12, -2.179732230E+04, 1.775132650E+01
2.685431120E+00, 1.768023730E-02, -8.654027390E-06, 2.036805890E-09,
-1.876309350E-13, -2.216537010E+04, 1.116356530E+01
nonlinear
436.000
3.970
0.000
0.000
2.000
H:3 C:2 O:1
G3B3
1.096857330E+00, 2.202287960E-02, -1.445834440E-05, 3.007795780E-09,
6.089928770E-13, 1.069433220E+03, 1.900948130E+01
2.426063570E+00, 1.724000210E-02, -9.771321190E-06, 2.665556720E-09,
-2.821200780E-13, 8.331069900E+02, 1.260387370E+01
nonlinear
436.000
3.970
0.000
0.000
2.000
H:5 C:2 O:1
000000
4.944207080E-01, 2.717744340E-02, -1.659090100E-05, 5.152042000E-09,
-6.484969150E-13, -3.352529250E+03, 2.280793780E+01
2.462623490E+00, 2.095039590E-02, -9.392917500E-06, 1.564406270E-09,
0.000000000E+00, -3.839326580E+03, 1.287388470E+01
nonlinear
470.600
4.410
0.000
0.000
1.500
2.0 H + M [=] H2 + M
1.780000E+12
-1.0
0.000000
CH2CHO:0.0 C:0.0 CH:0.0 H2:0.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:0.0 CO2:0.0 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
H:2.0
H2:1.0
2.0 H + H2 [=] 2.0 H2
9.000000E+10
-0.6
0.000000
H2:1 H:2.0
H2:2.0
O + H2 [=] H + OH
4.590000E+01
2.7
6259.560000
H2:1 O:1.0
H:1.0 OH:1
H + O + M [=] OH + M
9.430000E+12
-1.0
0.000000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:12.0 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
H:1.0 O:1
OH:1.0
2.0 O + M [=] O2 + M
1.200000E+11
-1.0
0.000000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.4 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:15.4 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
O:2.0
O2:1.0
2.0 OH (+ M) [=] H2O2 (+ M)
1.110000E+11
-0.37
0.000000
2.010000E+11
-0.58
-2292.070000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:12.0 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
0.7346 94 1756 5182
OH:2.0
H2O2:1.0
H + OH + M [=] H2O + M
4.400000E+16
-2.0
0.000000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:6.3 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
H:1.0 OH:1
H2O:1.0
2.0 OH [=] O + H2O
3.970000E+01
2.4
-2110.420000
OH:2.0
H2O:1 O:1.0
OH + H2 [=] H + H2O
1.730000E+05
1.51
3429.730000
H2:1 OH:1.0
H:1.0 H2O:1
2.0 H + H2O [=] H2 + H2O
5.620000E+13
-1.25
0.000000
H:2.0 H2O:1
H2:1.0 H2O:1
H + O2 (+ M) [=] HO2 (+ M)
5.120000E+09
0.44
0.000000
6.330000E+13
-1.4
0.000000
O2:0.85 CH2CHO:0.0 C:0.0 CH:0.0 CO:1.09 H2:0.75 HCO:0.0 C2H5O:0.0 H2O:11.89 CO2:2.18 TXCH2:0.0 CH3CHO:0.0 SXCH2:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
0.5 0 1e+10
H:1.0 O2:1
HO2:1.0
H + O2 [=] O + OH
2.640000E+13
-0.67
17041.110000
H:1.0 O2:1
O:1.0 OH:1
H2 + O2 [=] HO2 + H
5.920000E+02
2.43
53501.430000
H2:1.0 O2:1
H:1 HO2:1.0
HO2 + OH [=] H2O + O2
2.380000E+10
0.0
-499.520000
HO2:1.0 OH:1
H2O:1.0 O2:1
HO2 + H [=] 2.0 OH
7.490000E+10
0.0
635.760000
H:1 HO2:1.0
OH:2.0
HO2 + O [=] OH + O2
4.000000E+10
0.0
0.000000
HO2:1.0 O:1
O2:1 OH:1.0
HO2 + H [=] O + H2O
3.970000E+09
0.0
671.610000
H:1 HO2:1.0
H2O:1 O:1.0
HO2 + OH [=] H2O + O2
1.000000E+13
0.0
17330.310000
HO2:1.0 OH:1
H2O:1.0 O2:1
H2O2 + O [=] HO2 + OH
9.630000E+03
2.0
3969.890000
H2O2:1.0 O:1
HO2:1.0 OH:1
H2O2 + H [=] H2O + OH
2.410000E+10
0.0
3969.890000
H:1 H2O2:1.0
H2O:1.0 OH:1
H2O2 + H [=] HO2 + H2
6.050000E+03
2.0
5200.760000
H:1 H2O2:1.0
H2:1 HO2:1.0
H2O2 + OH [=] HO2 + H2O
2.670000E+38
-7.0
37600.380000
H2O2:1.0 OH:1
H2O:1 HO2:1.0
H2O2 + OH [=] HO2 + H2O
2.000000E+09
0.0
427.820000
H2O2:1.0 OH:1
H2O:1 HO2:1.0
C + O2 [=] CO + O
5.800000E+10
0.0
576.000000
C:1.0 O2:1
CO:1.0 O:1
C + OH [=] CO + H
5.000000E+10
0.0
0.000000
C:1.0 OH:1
H:1 CO:1.0
CH + OH [=] HCO + H
3.000000E+10
0.0
0.000000
CH:1.0 OH:1
H:1 HCO:1.0
CH + H2 [=] TXCH2 + H
1.080000E+11
0.0
3109.460000
H2:1 CH:1.0
TXCH2:1.0 H:1
CH + O [=] CO + H
5.700000E+10
0.0
0.000000
CH:1.0 O:1
H:1 CO:1.0
CH + O2 [=] HCO + O
6.710000E+10
0.0
0.000000
CH:1.0 O2:1
HCO:1.0 O:1
CH + H [=] C + H2
1.650000E+11
0.0
0.000000
H:1 CH:1.0
H2:1 C:1.0
CH + H2 (+ M) [=] CH3 (+ M)
1.970000E+09
0.43
-370.460000
4.820000E+19
-2.8
590.340000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:12.0 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
0.578 122 2535 9365
H2:1 CH:1.0
CH3:1.0
CH + H2O [=] CH2O + H
5.710000E+09
0.0
-755.260000
H2O:1 CH:1.0
CH2O:1.0 H:1
TXCH2 + H (+ M) [=] CH3 (+ M)
6.000000E+11
0.0
0.000000
1.040000E+20
-2.76
1598.950000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:12.0 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
0.562 91 5836 8552
TXCH2:1.0 H:1
CH3:1.0
TXCH2 + O2 =] OH + H + CO
5.000000E+09
0.0
1500.960000
TXCH2:1.0 O2:1
H:1 CO:1 OH:1.0
TXCH2 + O2 [=] CH2O + O
2.400000E+09
0.0
1500.960000
TXCH2:1.0 O2:1
CH2O:1.0 O:1
TXCH2 + OH [=] CH2O + H
2.000000E+10
0.0
0.000000
TXCH2:1.0 OH:1
CH2O:1.0 H:1
TXCH2 + HO2 [=] CH2O + OH
2.000000E+10
0.0
0.000000
TXCH2:1.0 HO2:1
CH2O:1.0 OH:1
TXCH2 + O2 =] CO2 + 2.0 H
5.800000E+09
0.0
1500.960000
TXCH2:1.0 O2:1
H:2.0 CO2:1.0
TXCH2 + OH [=] CH + H2O
1.130000E+04
2.0
2999.520000
TXCH2:1.0 OH:1
H2O:1 CH:1.0
TXCH2 + O [=] HCO + H
8.000000E+10
0.0
0.000000
TXCH2:1.0 O:1
H:1 HCO:1.0
TXCH2 + H2 [=] H + CH3
5.000000E+02
2.0
7229.920000
TXCH2:1.0 H2:1
H:1.0 CH3:1
SXCH2 + H2O [=] TXCH2 + H2O
3.000000E+10
0.0
0.000000
H2O:1 SXCH2:1.0
TXCH2:1.0 H2O:1
SXCH2 + H [=] CH + H2
3.000000E+10
0.0
0.000000
H:1 SXCH2:1.0
H2:1 CH:1.0
SXCH2 + O2 [=] H + OH + CO
2.800000E+10
0.0
0.000000
O2:1 SXCH2:1.0
H:1.0 CO:1 OH:1
SXCH2 + O [=] CO + H2
1.500000E+10
0.0
0.000000
O:1 SXCH2:1.0
H2:1 CO:1.0
SXCH2 + O2 [=] CO + H2O
1.200000E+10
0.0
0.000000
O2:1 SXCH2:1.0
H2O:1 CO:1.0
SXCH2 + H2 [=] CH3 + H
7.000000E+10
0.0
0.000000
H2:1 SXCH2:1.0
H:1 CH3:1.0
SXCH2 + O [=] HCO + H
1.500000E+10
0.0
0.000000
O:1 SXCH2:1.0
H:1 HCO:1.0
SXCH2 + H2O =] H2 + CH2O
6.820000E+07
0.25
-934.510000
H2O:1 SXCH2:1.0
H2:1.0 CH2O:1
SXCH2 + OH [=] CH2O + H
3.000000E+10
0.0
0.000000
OH:1 SXCH2:1.0
CH2O:1.0 H:1
CH3 + OH =] H2 + CH2O
8.000000E+06
0.0
-1754.300000
CH3:1.0 OH:1
H2:1.0 CH2O:1
CH3 + H2O2 [=] CH4 + HO2
2.450000E+01
2.47
5179.250000
CH3:1.0 H2O2:1
HO2:1 CH4:1.0
CH3 + O2 [=] CH2O + OH
5.870000E+08
0.0
13840.820000
CH3:1.0 O2:1
CH2O:1.0 OH:1
CH3 + CH [=] C2H3 + H
3.000000E+10
0.0
0.000000
CH:1 CH3:1.0
H:1 C2H3:1.0
CH3 + O [=] CH2O + H
5.060000E+10
0.0
0.000000
CH3:1.0 O:1
CH2O:1.0 H:1
CH3 + C [=] C2H2 + H
5.000000E+10
0.0
0.000000
C:1 CH3:1.0
H:1 C2H2:1.0
CH3 + H (+ M) [=] CH4 (+ M)
6.920000E+10
0.18
0.000000
3.470000E+32
-6.3
5074.090000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.5 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:6.0 CO2:2.0 CH4:3.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
0.783 74 2941 6964
H:1 CH3:1.0
CH4:1.0
CH3 + OH [=] TXCH2 + H2O
5.600000E+04
1.6
5420.650000
CH3:1.0 OH:1
TXCH2:1.0 H2O:1
CH3 + SXCH2 [=] C2H4 + H
1.200000E+10
0.0
-571.220000
CH3:1.0 SXCH2:1
H:1 C2H4:1.0
CH3 + OH [=] SXCH2 + H2O
6.440000E+14
-1.34
1417.300000
CH3:1.0 OH:1
H2O:1 SXCH2:1.0
2.0 CH3 [=] C2H5 + H
6.840000E+09
0.1
10599.900000
CH3:2.0
H:1 C2H5:1.0
CH3 + HO2 [=] CH4 + O2
3.610000E+09
0.0
0.000000
CH3:1.0 HO2:1
CH4:1.0 O2:1
CH3 + TXCH2 [=] C2H4 + H
1.000000E+11
0.0
0.000000
TXCH2:1 CH3:1.0
H:1 C2H4:1.0
CH3 + O =] H + H2 + CO
3.370000E+10
0.0
0.000000
CH3:1.0 O:1
H2:1 H:1.0 CO:1
CH4 + CH [=] C2H4 + H
6.000000E+10
0.0
0.000000
CH:1 CH4:1.0
H:1 C2H4:1.0
CH4 + SXCH2 [=] 2.0 CH3
1.600000E+10
0.0
-571.220000
CH4:1.0 SXCH2:1
CH3:2.0
CH4 + O [=] CH3 + OH
1.020000E+06
1.5
8599.430000
CH4:1.0 O:1
CH3:1.0 OH:1
CH4 + OH [=] CH3 + H2O
1.000000E+05
1.6
3119.020000
CH4:1.0 OH:1
H2O:1 CH3:1.0
CH4 + TXCH2 [=] 2.0 CH3
2.460000E+03
2.0
8269.600000
TXCH2:1 CH4:1.0
CH3:2.0
CH4 + H [=] CH3 + H2
6.600000E+05
1.62
10841.300000
H:1 CH4:1.0
H2:1 CH3:1.0
TXCH2 + CO (+ M) [=] CH2CO (+ M)
8.100000E+08
0.5
4510.040000
2.690000E+27
-5.11
7096.080000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:12.0 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
0.5907 275 1226 5185
TXCH2:1.0 CO:1
CH2CO:1.0
SXCH2 + CO [=] TXCH2 + CO
9.000000E+09
0.0
0.000000
CO:1 SXCH2:1.0
TXCH2:1.0 CO:1
CO + O2 [=] CO2 + O
1.120000E+09
0.0
47700.760000
CO:1.0 O2:1
CO2:1.0 O:1
CO + OH [=] CO2 + H
8.780000E+07
0.03
-16.730000
CO:1.0 OH:1
H:1 CO2:1.0
CO + H2 (+ M) [=] CH2O (+ M)
4.300000E+04
1.5
79600.860000
5.070000E+21
-3.42
84349.900000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:12.0 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
0.932 197 1540 10300
H2:1 CO:1.0
CH2O:1.0
CH + CO (+ M) [=] HCCO (+ M)
5.000000E+10
0.0
0.000000
2.690000E+22
-3.74
1935.950000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:12.0 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
0.5757 237 1652 5069
CH:1.0 CO:1
HCCO:1.0
CO + OH [=] CO2 + H
8.000000E+08
0.14
7351.820000
CO:1.0 OH:1
H:1 CO2:1.0
CO + O (+ M) [=] CO2 (+ M)
1.360000E+07
0.0
2385.280000
1.170000E+18
-2.79
4192.160000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:12.0 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
1 1 1e+07 1e+07
CO:1.0 O:1
CO2:1.0
CO + HO2 [=] CO2 + OH
3.010000E+10
0.0
22999.520000
HO2:1 CO:1.0
CO2:1.0 OH:1
HCO + H [=] CO + H2
1.200000E+11
0.0
0.000000
H:1 HCO:1.0
H2:1 CO:1.0
HCO + H (+ M) [=] CH2O (+ M)
1.090000E+09
0.48
-260.520000
2.470000E+18
-2.57
425.430000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:12.0 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
0.7824 271 2755 6570
H:1 HCO:1.0
CH2O:1.0
CH3 + HCO [=] CH3CHO
5.000000E+10
0.0
0.000000
CH3:1.0 HCO:1
CH3CHO:1.0
HCO + M [=] CO + H + M
1.870000E+14
-1.0
17000.480000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:0.0 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
HCO:1.0
H:1 CO:1.0
HCO + H2O [=] CO + H + H2O
2.240000E+15
-1.0
17000.480000
H2O:1 HCO:1.0
H:1 H2O:1 CO:1.0
HCO + O [=] CO + OH
3.000000E+10
0.0
0.000000
HCO:1.0 O:1
CO:1.0 OH:1
HCO + OH [=] CO + H2O
3.020000E+10
0.0
0.000000
HCO:1.0 OH:1
H2O:1 CO:1.0
CH3 + HCO [=] CH4 + CO
2.650000E+10
0.0
0.000000
CH3:1.0 HCO:1
CO:1 CH4:1.0
HCO + O [=] CO2 + H
3.000000E+10
0.0
0.000000
HCO:1.0 O:1
H:1 CO2:1.0
HCO + O2 [=] CO + HO2
1.200000E+07
0.81
-726.580000
HCO:1.0 O2:1
HO2:1 CO:1.0
CH2O + H [=] HCO + H2
5.740000E+04
1.9
2741.400000
CH2O:1.0 H:1
H2:1 HCO:1.0
CH2O + O [=] HCO + OH
3.900000E+10
0.0
3539.670000
CH2O:1.0 O:1
HCO:1.0 OH:1
CH3 + CH2O [=] CH4 + HCO
3.320000E+00
2.81
5860.420000
CH2O:1 CH3:1.0
CH4:1.0 HCO:1
CH2O + OH [=] HCO + H2O
3.430000E+06
1.18
-446.940000
CH2O:1.0 OH:1
H2O:1 HCO:1.0
CH2O + CH [=] CH2CO + H
9.460000E+10
0.0
-516.250000
CH2O:1.0 CH:1
H:1 CH2CO:1.0
CH2O + O2 [=] HCO + HO2
1.000000E+11
0.0
40000.000000
CH2O:1.0 O2:1
HO2:1 HCO:1.0
CH2O + HO2 [=] HCO + H2O2
5.600000E+03
2.0
12000.480000
CH2O:1.0 HO2:1
HCO:1.0 H2O2:1
2.0 H + CO2 [=] H2 + CO2
5.500000E+14
-2.0
0.000000
H:2.0 CO2:1
H2:1.0 CO2:1
SXCH2 + CO2 [=] TXCH2 + CO2
7.000000E+09
0.0
0.000000
CO2:1 SXCH2:1.0
TXCH2:1.0 CO2:1
SXCH2 + CO2 [=] CH2O + CO
1.400000E+10
0.0
0.000000
CO2:1 SXCH2:1.0
CH2O:1.0 CO:1
CH + CO2 [=] HCO + CO
1.900000E+11
0.0
15791.110000
CH:1.0 CO2:1
CO:1 HCO:1.0
C2H2 + O [=] TXCH2 + CO
1.250000E+04
2.0
1900.100000
C2H2:1.0 O:1
TXCH2:1.0 CO:1
C2H2 + OH [=] CH3 + CO
1.280000E+06
0.73
2578.870000
C2H2:1.0 OH:1
CH3:1.0 CO:1
C2H2 + H (+ M) [=] C2H3 (+ M)
1.710000E+07
1.27
2707.930000
6.340000E+25
-4.66
3781.070000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:12.0 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
0.2122 1 -10210
H:1 C2H2:1.0
C2H3:1.0
C2H2 + OH [=] CH2CO + H
7.530000E+03
1.55
2105.640000
C2H2:1.0 OH:1
H:1 CH2CO:1.0
C2H2 + O [=] HCCO + H
8.100000E+03
2.0
1900.100000
C2H2:1.0 O:1
H:1 HCCO:1.0
C2H3 + OH [=] C2H2 + H2O
5.000000E+09
0.0
0.000000
C2H3:1.0 OH:1
H2O:1 C2H2:1.0
C2H3 + O2 [=] CH2CHO + O
3.030000E+08
0.29
11.950000
C2H3:1.0 O2:1
CH2CHO:1.0 O:1
C2H3 + O [=] CH2CHO
1.030000E+10
0.21
-427.820000
C2H3:1.0 O:1
CH2CHO:1.0
C2H3 + H [=] C2H2 + H2
3.000000E+10
0.0
0.000000
H:1 C2H3:1.0
H2:1 C2H2:1.0
C2H3 + CH3 [=] C2H2 + CH4
9.030000E+09
0.0
-764.820000
CH3:1 C2H3:1.0
CH4:1 C2H2:1.0
C2H3 + O2 [=] HCO + CH2O
4.580000E+13
-1.39
1015.770000
C2H3:1.0 O2:1
CH2O:1 HCO:1.0
C2H3 + H (+ M) [=] C2H4 (+ M)
6.080000E+09
0.27
279.640000
1.400000E+24
-3.86
3319.790000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:12.0 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
0.782 207.5 2663 6095
H:1 C2H3:1.0
C2H4:1.0
C2H3 + H2O2 [=] C2H4 + HO2
1.210000E+07
0.0
-595.120000
C2H3:1.0 H2O2:1
C2H4:1.0 HO2:1
C2H3 + O2 [=] C2H2 + HO2
1.340000E+03
1.61
-384.800000
C2H3:1.0 O2:1
HO2:1 C2H2:1.0
C2H4 + CH3 [=] C2H3 + CH4
2.270000E+02
2.0
9199.330000
CH3:1 C2H4:1.0
CH4:1 C2H3:1.0
C2H4 + H (+ M) [=] C2H5 (+ M)
1.370000E+06
1.46
1355.160000
2.030000E+33
-6.64
5769.600000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:12.0 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
-0.569 299 -9147 152.4
H:1 C2H4:1.0
C2H5:1.0
C2H4 + O2 =] CH3 + CO2 + H
4.900000E+09
0.42
75800.670000
C2H4:1.0 O2:1
H:1 CH3:1.0 CO2:1
C2H4 + OH [=] C2H3 + H2O
1.310000E-04
4.2
-860.420000
C2H4:1.0 OH:1
H2O:1 C2H3:1.0
C2H4 + OH [=] C2H5O
3.750000E+33
-7.8
7060.230000
C2H4:1.0 OH:1
C2H5O:1.0
C2H4 + O [=] CH2CHO + H
7.660000E+06
0.88
1140.060000
C2H4:1.0 O:1
CH2CHO:1.0 H:1
C2H4 + O [=] CH3 + HCO
3.890000E+05
1.36
886.710000
C2H4:1.0 O:1
CH3:1.0 HCO:1
C2H4 + O2 [=] C2H3 + HO2
4.220000E+10
0.0
62100.860000
C2H4:1.0 O2:1
HO2:1 C2H3:1.0
C2H4 + H [=] C2H3 + H2
1.270000E+02
2.75
11649.140000
H:1 C2H4:1.0
H2:1 C2H3:1.0
C2H4 + O [=] TXCH2 + CH2O
7.150000E+01
2.47
929.730000
C2H4:1.0 O:1
TXCH2:1.0 CH2O:1
C2H5 + HO2 [=] C2H4 + H2O2
3.000000E+08
0.0
0.000000
C2H5:1.0 HO2:1
C2H4:1.0 H2O2:1
C2H5 + H (+ M) [=] C2H6 (+ M)
5.210000E+14
-0.99
1579.830000
1.990000E+35
-7.08
6684.990000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:12.0 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
0.8422 125 2219 6882
H:1 C2H5:1.0
C2H6:1.0
C2H5 + HO2 [=] C2H5O + OH
3.100000E+10
0.0
0.000000
C2H5:1.0 HO2:1
C2H5O:1.0 OH:1
C2H5 + O [=] C2H5O
3.170000E+10
0.03
-394.360000
C2H5:1.0 O:1
C2H5O:1.0
C2H5 + H [=] C2H4 + H2
2.000000E+09
0.0
0.000000
H:1 C2H5:1.0
H2:1 C2H4:1.0
C2H5 + O2 [=] C2H4 + HO2
1.920000E+04
1.02
-2033.940000
C2H5:1.0 O2:1
C2H4:1.0 HO2:1
C2H5 + HO2 [=] C2H6 + O2
3.000000E+08
0.0
0.000000
C2H5:1.0 HO2:1
C2H6:1.0 O2:1
C2H5 + CH3 [=] C2H4 + CH4
1.180000E+01
2.45
2920.650000
C2H5:1.0 CH3:1
C2H4:1.0 CH4:1
C2H6 + SXCH2 [=] C2H5 + CH3
4.000000E+10
0.0
-549.710000
C2H6:1.0 SXCH2:1
C2H5:1.0 CH3:1
C2H6 + CH3 [=] C2H5 + CH4
8.430000E+11
0.0
22256.210000
C2H6:1.0 CH3:1
C2H5:1.0 CH4:1
C2H6 + O [=] C2H5 + OH
3.170000E-02
3.8
3130.980000
C2H6:1.0 O:1
C2H5:1.0 OH:1
C2H6 (+ M) [=] 2.0 CH3 (+ M)
1.880000E+50
-9.72
107342.260000
3.720000E+62
-13.14
101579.830000
CH2CHO:0.0 C:0.0 CH:0.0 CO:1.75 H2:2.0 HCO:0.0 SXCH2:0.0 C2H5O:0.0 H2O:12.0 CO2:3.6 CH4:2.0 TXCH2:0.0 C2H6:3.0 CH3CHO:0.0 C2H3:0.0 HCCO:0.0 C2H5:0.0
0.39 100 1900 6000
C2H6:1.0
CH3:2.0
C2H6 + HO2 [=] C2H5 + H2O2
2.610000E-01
3.37
15913.000000
C2H6:1.0 HO2:1
C2H5:1.0 H2O2:1
C2H6 + H [=] C2H5 + H2
1.700000E+02
2.7
5740.920000
C2H6:1.0 H:1
H2:1 C2H5:1.0
C2H6 + OH [=] C2H5 + H2O
1.610000E+03
2.22
740.920000
C2H6:1.0 OH:1
C2H5:1.0 H2O:1
HCCO + O2 [=] OH + 2.0 CO
4.200000E+07
0.0
853.250000
HCCO:1.0 O2:1
CO:2.0 OH:1.0
HCCO + O [=] H + 2.0 CO
1.000000E+11
0.0
0.000000
HCCO:1.0 O:1
H:1.0 CO:2.0
HCCO + CH3 [=] C2H4 + CO
5.000000E+10
0.0
0.000000
CH3:1 HCCO:1.0
C2H4:1.0 CO:1
HCCO + H [=] SXCH2 + CO
1.000000E+11
0.0
0.000000
H:1 HCCO:1.0
CO:1 SXCH2:1.0
CH2CO + H [=] CH3 + CO
1.500000E+06
1.38
614.240000
H:1 CH2CO:1.0
CH3:1.0 CO:1
CH2CO + TXCH2 [=] C2H4 + CO
1.000000E+09
0.0
0.000000
TXCH2:1 CH2CO:1.0
C2H4:1.0 CO:1
CH2CO + O [=] HCCO + OH
1.000000E+10
0.0
7999.520000
CH2CO:1.0 O:1
HCCO:1.0 OH:1
CH2CO + CH3 [=] HCCO + CH4
7.500000E+09
0.0
12999.520000
CH2CO:1.0 CH3:1
CH4:1 HCCO:1.0
CH2CO + O [=] TXCH2 + CO2
1.750000E+09
0.0
1350.380000
CH2CO:1.0 O:1
TXCH2:1.0 CO2:1
CH2CO + CH3 [=] C2H5 + CO
9.000000E+07
0.0
0.000000
CH2CO:1.0 CH3:1
C2H5:1.0 CO:1
CH2CO + OH [=] HCCO + H2O
7.500000E+09
0.0
2000.480000
CH2CO:1.0 OH:1
H2O:1 HCCO:1.0
CH2CO + H [=] HCCO + H2
5.000000E+10
0.0
7999.520000
H:1 CH2CO:1.0
H2:1 HCCO:1.0
CH2CO + TXCH2 [=] HCCO + CH3
3.600000E+10
0.0
10999.040000
TXCH2:1 CH2CO:1.0
CH3:1 HCCO:1.0
CH2CHO + O [=] CH2O + HCO
3.170000E+10
0.03
-394.360000
CH2CHO:1.0 O:1
CH2O:1.0 HCO:1
CH2CHO [=] CH2CO + H
1.320000E+34
-6.57
49457.460000
CH2CHO:1.0
H:1 CH2CO:1.0
CH2CHO + OH [=] H2O + CH2CO
1.200000E+10
0.0
0.000000
CH2CHO:1.0 OH:1
H2O:1.0 CH2CO:1
CH2CHO + H [=] CH2CO + H2
1.100000E+10
0.0
0.000000
CH2CHO:1.0 H:1
H2:1 CH2CO:1.0
CH2CHO + O2 =] OH + CO + CH2O
1.810000E+07
0.0
0.000000
CH2CHO:1.0 O2:1
CH2O:1 CO:1 OH:1.0
CH2CHO [=] CH3 + CO
6.510000E+34
-6.87
47194.070000
CH2CHO:1.0
CH3:1.0 CO:1
CH2CHO + O2 =] OH + 2.0 HCO
2.350000E+07
0.0
0.000000
CH2CHO:1.0 O2:1
HCO:2.0 OH:1.0
CH2CHO + H [=] CH3 + HCO
2.200000E+10
0.0
0.000000
CH2CHO:1.0 H:1
CH3:1.0 HCO:1
CH3CHO + O =] CH3 + CO + OH
2.920000E+09
0.0
1809.270000
CH3CHO:1.0 O:1
CH3:1.0 CO:1 OH:1
CH3CHO + O2 =] CH3 + CO + HO2
3.010000E+10
0.0
39149.140000
CH3CHO:1.0 O2:1
HO2:1 CH3:1.0 CO:1
CH3CHO + OH =] CH3 + CO + H2O
2.340000E+07
0.73
-1113.770000
CH3CHO:1.0 OH:1
H2O:1 CH3:1.0 CO:1
CH3CHO + H [=] CH2CHO + H2
2.050000E+06
1.16
2404.400000
H:1 CH3CHO:1.0
H2:1 CH2CHO:1.0
CH3CHO + H =] CH3 + CO + H2
2.050000E+06
1.16
2404.400000
H:1 CH3CHO:1.0
H2:1 CH3:1.0 CO:1
CH3CHO + O [=] CH2CHO + OH
2.920000E+09
0.0
1809.270000
CH3CHO:1.0 O:1
CH2CHO:1.0 OH:1
CH3CHO + CH3 =] CH3 + CO + CH4
2.720000E+03
1.77
5920.170000
CH3CHO:1.0 CH3:1
CH4:1 CH3:1.0 CO:1
CH3CHO + HO2 =] CH3 + CO + H2O2
3.010000E+09
0.0
11924.000000
CH3CHO:1.0 HO2:1
CH3:1.0 CO:1 H2O2:1
C2H5O [=] CH3 + CH2O
1.320000E+20
-2.02
20750.480000
C2H5O:1.0
CH2O:1 CH3:1.0
C2H5O [=] CH3CHO + H
5.450000E+15
-0.69
22229.920000
C2H5O:1.0
H:1 CH3CHO:1.0
C2H5O + O2 [=] CH3CHO + HO2
2.290000E+07
0.0
874.760000
C2H5O:1.0 O2:1
CH3CHO:1.0 HO2:1
SXCH2 + N2 [=] TXCH2 + N2
1.500000E+10
0.0
599.900000
N2:1 SXCH2:1.0
TXCH2:1.0 N2:1