| blob | bfb87d3c4469e763238c827cf7ef93b8b24cb7ea |
1 ELEMENTS
2 H O C N AR
3 END
4 SPECIES
5 H2 O2 OH H H2O O H2O2 HO2
6 CH4 CO CO2 HCO CH3O CH2OH CH2O CH3 CH2 CH2(S) CH HCCO CH3O2 CH4O2
7 C2H6 C2H5 C2H4 C2H3 C2H2 C2H CH3CO CH2CO C3H2 C3H3 C3H4 C3H5 C3H6 HCCOH
8 C2H5OH CH3HCO CH3CHOH CH3OH C4H2 C4H3 CH3OCH3 CH3OCH2 CH3OCH2OOH CH3OCH2OO
9 CH3OCH2O HCOOCH3 HCOOH CH3OCO
10 O3 N2 AR C
11 THERMO ! 1995 NASA COMPILATION + EDGAR DATA
12 CH3O2 L 1/84C 1H 3O 2N 0G 300.000 5000.00 1
13 0.66812963E 01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
14 0.52621851E 03-0.99423847E 01 0.20986490E 01 0.15786357E-01 0.75683261E-07 3
15 -0.11274587E-07 0.56665133E-11 0.20695879E 04 0.15007068E 02 4
16 CH4O2 T12/93C 1H 4O 2N 0G 200.000 6000.000 1
17 0.61600316E+01 0.10239957E-01-0.36101507E-05 0.57550301E-09-0.34178147E-13 2
18 -0.17654526E+05-0.61911544E+01 0.49652507E+01 0.92343510E-03 0.34455956E-04 3
19 -0.44469600E-07 0.17456120E-10-0.16726970E+05 0.29880275E+01 4
20 C2H5OH L 8/88C 2H 6O 1N 0G 200.000 6000.000 1
21 0.65624365E+01 0.15204222E-01-0.53896795E-05 0.86225011E-09-0.51289787E-13 2
22 -0.31525621E+05-0.94730202E+01 0.48586957E+01-0.37401726E-02 0.69555378E-04 3
23 -0.88654796E-07 0.35168835E-10-0.29996132E+05 0.48018545E+01-0.28257829E+05 4
24 C3H3 BUR 92C 3H 3O 0N 0G 200.000 6000.000 1
25 6.64175821E+00 8.08587428E-03-2.84787887E-06 4.53525977E-10-2.68879815E-14 2
26 3.89793699E+04-1.04004255E+01 1.82840766E+00 2.37839036E-02-2.19228176E-05 3
27 1.00067444E-08-1.38984644E-12 4.01863058E+04 1.38447957E+01 4.16139977E+04 4
28 C3H4 L12/92C 3H 4O 0N 0G 200.000 6000.000 1
29 6.31694869E+00 1.11336262E-02-3.96289018E-06 6.35633775E-10-3.78749885E-14 2
30 2.01174617E+04-1.09718862E+01 2.61307487E+00 1.21223371E-02 1.85405400E-05 3
31 -3.45258475E-08 1.53353389E-11 2.15415642E+04 1.02503319E+01 2.29622672E+04 4
32 C3H5 BUR 92C 3H 5O 0N 0G 200.000 6000.000 1
33 6.54761132E+00 1.33152246E-02-4.78333100E-06 7.71949814E-10-4.61930808E-14 2
34 1.72714707E+04-9.27486841E+00 3.78794693E+00 9.48414335E-03 2.42343368E-05 3
35 -3.65604010E-08 1.48592356E-11 1.86261218E+04 7.82822499E+00 2.03259122E+04 4
36 C4H2 L 2/93C 4H 2O 0N 0G 200.000 6000.000 1
37 8.66704895E+00 6.71505191E-03-2.35355060E-06 3.73635366E-10-2.21054043E-14 2
38 5.10016978E+04-2.18002050E+01-4.07132393E-01 5.20775143E-02-9.21138340E-05 3
39 8.08657403E-08-2.70422080E-11 5.25957367E+04 2.03240223E+01 5.41222513E+04 4
40 C4H3 L 9/89C 4H 3O 0N 0G 298.150 6000.000 1
41 0.84762079E+01 0.88782327E-02-0.30328412E-05 0.47358302E-09-0.27716627E-13 2
42 0.54756540E+05-0.17170551E+02 0.24173247E+01 0.24104782E-01-0.12813470E-04 3
43 -0.28606237E-08 0.39194527E-11 0.56506476E+05 0.14471107E+02 0.58181574E+05 4
44 C4H4 L 9/89C 4H 4O 0N 0G 200.000 6000.000 1
45 0.82948104E+01 0.11994381E-01-0.42624075E-05 0.68306978E-09-0.40680631E-13 2
46 0.33550866E+05-0.18426826E+02 0.14049083E+01 0.29531073E-01-0.15596302E-04 3
47 -0.32142002E-08 0.45436937E-11 0.35507830E+05 0.17450183E+02 0.37097268E+05 4
48 CH3OCH3 L12/92C 2H 6O 1N 0G 200.000 6000.000 1
49 5.64844183E+00 1.63381899E-02-5.86802367E-06 9.46836869E-10-5.66504738E-14 2
50 -2.51074690E+04-5.96264939E+00 5.30562279E+00-2.14254272E-03 5.30873244E-05 3
51 -6.23147136E-08 2.30731036E-11-2.39866295E+04 7.13264209E-01-2.21432171E+04 4
52 CH3OCH2 T11/82C 2H 5O 1N 0G 300.000 5000.0 1
53 0.65567484E+01 0.12180723E-01-0.40628420E-05 0.59495830E-09-0.31276214E-13 2
54 -0.40282515E+04-0.81302772E+01 0.35953999E+01 0.13379216E-01 0.53914910E-05 3
55 -0.10947097E-07 0.38193320E-11-0.27021975E+04 0.92850365E+01 4
56 CH3OCH2OOH Jan96 C 2H 6O 3N 0G 300.00 3000.00 1000. 0 1
57 7.66981055E+00 2.35536769E-02-1.15031834E-05 2.84464629E-09-2.79520304E-13 2
58 -3.96295537E+04-1.39224857E+01 3.05518950E-02 4.90560834E-02-4.43030986E-05 3
59 2.21548123E-08-4.66587486E-12-3.80282020E+04 2.43189660E+01 4
60 CH3OCH2OO Jan96 C 2H 5O 3N 0G 300.00 3000.00 1000. 0 1
61 8.06217488E+00 2.05153644E-02-1.00803231E-05 2.50244952E-09-2.46544863E-13 2
62 -2.19951127E+04-1.59505736E+01 4.74967287E-01 4.68199208E-02-4.55041928E-05 3
63 2.44627078E-08-5.51108848E-12-2.04517448E+04 2.17234867E+01 4
64 CH3OCH2O Jan96 C 2H 5O 2N 0G 300.00 3000.00 1000. 0 1
65 5.98450336E+00 1.93302785E-02-9.44575204E-06 2.33651645E-09-2.29626013E-13 2
66 -2.12266609E+04-7.95685946E+00-1.22386711E-01 3.94270827E-02-3.47990406E-05 3
67 1.69073231E-08-3.44801024E-12-1.99352987E+04 2.26909497E+01 4
68 CH3OCHO Jan96 C 2H 4O 2N 0G 300.00 3000.00 1000. 1
69 5.46071782E+00 1.70659166E-02-8.38236448E-06 2.08015776E-09-2.04870146E-13 2
70 -4.58756417E+04-3.33482124E+00-4.40150386E-01 3.69251939E-02-3.41468832E-05 3
71 1.73800460E-08-3.70831952E-12-4.46516329E+04 2.61277510E+01 4
72 HCOOCH3 C 2H 4O 2N 0G 300.000 5000.000 1
73 0.83982000E 01 0.11267000E-01-0.41325000E-05 0.72745000E-09-0.48932000E-13 2
74 -0.48328000E 05-0.18820000E 02-0.15323000E 01 0.43051000E-01-0.45098000E-04 3
75 0.26064000E-07-0.63345000E-11-0.45711000E 05 0.31603000E 02 4
76 HCOOH L 8/88H 2.C 1.O 2. 0.G 200.000 6000.000 1
77 5.69579404E+00 7.72237361E-03-3.18037808E-06 5.57949466E-10-3.52618226E-14 2
78 -4.81599723E+04-6.01680080E+00 3.23262453E+00 2.81129582E-03 2.44034975E-05 3
79 -3.17501066E-08 1.20631660E-11-4.67785606E+04 9.86205647E+00-4.55312460E+04 4
80 CH3OCO C 2H 3O 2 0G 300.000 5000.000 1
81 0.76505900E 01 0.99082000E-02-0.37559700E-05 0.67845900E-09-0.46572100E-13 2
82 -0.24947700E 05-0.12937300E 02-0.89045900E 00 0.38842600E-01-0.42829300E-04 3
83 0.25682800E-07-0.63729700E-11-0.22835200E 05 0.29911300E 02 4
84 END
85 REACTIONS
86 CH4 + O2 = CH3 + HO2 7.900E+13 0.00 56000.
87 CH4 + H = CH3 + H2 6.600E+08 1.62 10840. ! 2.200E+04 3.00 8750.
88 CH4 + OH = CH3 + H2O 1.600E+06 2.10 2460.
89 CH4 + O = CH3 + OH 1.020E+09 1.50 8604.
90 CH4 + HO2 = CH3 + H2O2 1.800E+11 0.00 18700.
91 CH3 + HO2 = CH3O + OH 2.000E+13 0.00 0.
92 CH3 + O2 = CH3O + O 2.720E+13 0.00 30900.
93 CH3 + O2 = CH2O + OH 3.800E+10 0.00 9000. ! 3.8
94 CH3 + CH2O = CH4 + HCO 5.500E+03 2.82 6000.
95 CH3 + HCO = CH4 + CO 1.200E+14 0.00 0.
96 CH3 + O = CH2O + H 8.000E+13 0.00 0.
97 CH3 + OH = CH2 + H2O 7.500E+06 2.00 5000.
98 CH3 + OH = CH2O + H2 4.000E+12 0.00 0.
99 CH3 + H = CH4 1.900E+36 -7.00 9050.
100 CH3 + CH3 = C2H6 1.700D+53 -12.0 19400.
101 !
102 CH3 + CH3O = CH4 + CH2O 1.000E+13 0.00 0.
103 CH3 + CH2OH = CH4 + CH2O 1.000E+12 0.00 0.
104 CH3 + C2H5 = CH4 + C2H4 2.000E+13 -0.50 0.
105 CH3 + C2H4 = CH4 + C2H3 6.620E+00 3.70 9482.
106 CH3 + C2H3 = CH4 + C2H2 1.000E+12 0.00 0.
107 CH3 + C2H2 = CH4 + C2H 1.800E+11 0.00 17270.
108 CH3 + CH3 = C2H4 + H2 1.000E+14 0.00 31000.
109 CH3 + M = CH2 + H + M 1.000E+16 0.00 90600.
110 CH3 + HCO = CH2 + CH2O 2.000E+14 0.00 0.
111 !
112 CH2 + H2 = CH3 + H 5.000E+05 2.00 7230.
113 CH2 + CH3 = C2H4 + H 4.000E+13 0.00 0.
114 CH2 + OH = CH + H2O 1.130E+07 2.00 3000.
115 CH2 + OH = CH2O + H 2.500E+13 0.00 0.
116 CH2 + CH2 = C2H2 + H2 4.000E+13 0.00 0.
117 CH2 + HCCO = C2H3 + CO 3.000E+13 0.00 0.
118 CH2 + O = CO + H + H 5.000E+13 0.00 0.
119 CH2 + O = HCO + H 8.000E+13 0.00 0.
120 CH2 + O2 = CO2 + H + H 1.600E+12 0.00 1000.
121 CH2 + O2 = CH2O + O 5.000E+13 0.00 9000.
122 CH2 + O2 = CO2 + H2 6.900E+11 0.00 500.
123 CH2 + O2 = HCO + OH 4.300E+10 0.00 -500.
124 !
125 CH2(S)+ CH3 = C2H4 + H 3.000E+13 0.00 -570.
126 CH2(S)+ H2 = CH3 + H 8.000E+13 0.00 0.
127 CH2(S)+ CH4 = CH3 + CH3 4.000E+12 0.00 -570.
128 CH2(S)+ C2H6 = CH3 + C2H5 4.000E+12 0.00 -550.
129 CH2(S)+ C2H2 = C3H3 + H 3.000E+13 0.00 0.
130 CH2(S)+ N2 = CH2 + N2 1.500E+13 0.00 600.
131 CH2(S)+ AR = CH2 + AR 9.000E+12 0.00 600.
132 CH2(S)+ CO2 = CH2 + CO2 7.000E+12 0.00 0.
133 CH2(S)+ CO2 = CH2O + CO 1.400E+11 0.00 1000.
134 CH2(S)+ H2O = CH2 + H2O 3.000E+13 0.00 0.
135 CH2(S)+ O2 = CO + OH + H 2.800E+12 0.00 -500.
136 CH2(S)+ O2 = CO + H2O 1.200E+12 0.00 -500.
137 CH2(S)+ H = CH + H2 3.000E+13 0.00 0.
138 CH2(S)+ O = CO + H2 3.000E+13 0.00 0.
139 !
140 CH2OH + H = CH3 + OH 1.000E+14 0.00 0.
141 CH3O + H = CH3 + OH 1.000E+14 0.00 0.
142 CH3O + M = CH2O + H + M 1.000E+14 0.00 25000.
143 CH2OH + M = CH2O + H + M 1.000E+14 0.00 25000.
144 CH3O + H = CH2O + H2 2.000E+13 0.00 0.
145 CH2OH + H = CH2O + H2 2.000E+13 0.00 0.
146 CH3O + OH = CH2O + H2O 1.000E+13 0.00 0.
147 CH2OH + OH = CH2O + H2O 1.000E+13 0.00 0.
148 CH3O + O = CH2O + OH 1.000E+13 0.00 0.
149 CH2OH + O = CH2O + OH 1.000E+13 0.00 0.
150 CH3O + O2 = CH2O + HO2 6.300E+10 0.00 2600. ! 6.3
151 CH2OH + O2 = CH2O + HO2 1.480E+13 0.00 1500.
152 !CH2 + H = CH + H2 1.000E+18 -1.56 0.
153 CH + H2 = H + CH2 1.107E+08 1.79 1670.
154 CH + O2 = HCO + O 6.300E+13 0.00 0.
155 CH + O = CO + H 5.700E+13 0.00 0.
156 CH + OH = HCO + H 3.000E+13 0.00 0.
157 CH + CO2 = HCO + CO 3.400E+12 0.00 690.
158 CH + H2O = CH2O + H 1.170E+15 -0.75 0.
159 CH + CH2O = CH2CO + H 9.460E+13 0.00 -515.
160 CH + C2H2 = C3H2 + H 1.000E+14 0.00 0.
161 CH + CH2 = C2H2 + H 4.000E+13 0.00 0.
162 CH + CH3 = C2H3 + H 3.000E+13 0.00 -400.
163 CH + CH4 = C2H4 + H 3.000E+13 0.00 0.
164 !
165 CH2O + OH = HCO + H2O 3.430E+09 1.18 -447.
166 CH2O + H = HCO + H2 2.190E+08 1.77 3000.
167 CH2O + M = HCO + H + M 3.310E+16 0.00 81000.
168 CH2O + O = HCO + OH 1.800E+13 0.00 3080.
169 CH2O + O2 = HCO + HO2 6.200E+13 0.00 39000.
170 CH2O + HO2 = HCO + H2O2 1.000E+12 0.00 9000.
171 CH2O + HO2 = HCOOH + OH 1.000E+13 0.00 14900.
172 !
173 HCOOH + H = H + CO2 + H2 3.060E+10 1.00 3200.
174 HCOOH + O = H + CO2 + OH 5.360E+11 0.60 2900.
175 HCOOH + OH = H + CO2 + H2O 2.500E+11 0.00 0.
176 HCOOH + HO2 = H2O2 + CO2 + H 2.500E+11 0.00 0.
177 HCOOH + CH3 = CH4 + CO2 + H 1.100E-03 4.90 3480.
178 HCOOH + CH3OCH2 = CH3OCH3 + CO2 + H 1.100E-03 4.90 3480.
179 !
180 HCO + OH = H2O + CO 1.000E+14 0.00 0.
181 !HCO + M = H + CO + M 2.500E+14 0.00 16802.
182 HCO + H2O = H + CO + H2O 2.244E+18 -1.00 17000.
183 HCO + M = H + CO + M 1.870E+17 -1.00 17000.
184 H2/2.00/ H2O/ .00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/
185 HCO + H = CO + H2 1.190E+13 0.25 0.
186 HCO + O = CO + OH 3.000E+13 0.00 0.
187 HCO + O = CO2 + H 3.000E+13 0.00 0.
188 HCO + O2 = HO2 + CO 3.300E+13 -0.40 0.
189 HCO + HCO = CH2O + CO 3.000E+13 0.00 0.
190 HCO + HCO = H2 + CO + CO 3.000E+12 0.00 0.
191 CO + O + M = CO2 + M 6.170E+14 0.00 3000.
192 H2/2.00/ O2/6.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/3.50/ C2H6/3.00/ AR/0.50/
193 CO + OH = CO2 + H 1.510E+07 1.30 -758.
194 CO + O2 = CO2 + O 1.600E+13 0.00 41000.
195 HO2 + CO = CO2 + OH 5.800E+13 0.00 22934.
196 C2H6 + CH3 = C2H5 + CH4 5.500E-01 4.00 8300.
197 C2H6 + H = C2H5 + H2 5.400E+02 3.50 5210.
198 C2H6 + O = C2H5 + OH 3.000E+07 2.00 5115.
199 C2H6 + OH = C2H5 + H2O 8.700E+09 1.05 1810.
200 C2H4 + H = C2H3 + H2 1.100E+14 0.00 8500.
201 C2H4 + O = CH3 + HCO 1.600E+09 1.20 746.
202 C2H4 + OH = C2H3 + H2O 2.020E+13 0.00 5955.
203 H + C2H4 = C2H5 2.600E+43 -9.25 52580.
204 C2H5 + H = CH3 + CH3 1.000E+14 0.00 0.
205 C2H5 + O2 = C2H4 + HO2 8.430E+11 0.00 3875.
206 C2H2 + O = CH2 + CO 1.020E+07 2.00 1900.
207 C2H2 + O = HCCO + H 1.020E+07 2.00 1900.
208 H2 + C2H = C2H2 + H 4.090E+05 2.39 864.
209 C2H3 = C2H2 + H 4.600E+40 -8.80 46200.
210 C2H3 + H = C2H2 + H2 4.000E+13 0.00 0.
211 C2H3 + O = CH2CO + H 3.000E+13 0.00 0.
212 C2H3 + O2 = CH2O + HCO 4.000E+12 0.00 -250.
213 C2H3 + O2 = C2H2 + HO2 1.580E+13 0.00 10060.
214 C2H3 + OH = C2H2 + H2O 5.000E+12 0.00 0.
215 C2H3 + CH2 = C2H2 + CH3 3.000E+13 0.00 0.
216 C2H3 + C2H = C2H2 + C2H2 3.000E+13 0.00 0.
217 C2H3 + CH = CH2 + C2H2 5.000E+13 0.00 0.
218 OH + C2H2 = C2H + H2O 3.370E+07 2.00 14000.
219 OH + C2H2 = HCCOH + H 5.040E+05 2.30 13500.
220 OH + C2H2 = CH2CO + H 2.180E-04 4.50 -1000.
221 OH + C2H2 = CH3 + CO 4.830E-04 4.00 -2000.
222 C2H2 + O = C2H + OH 3.160E+15 -0.60 15000.
223 HCCOH + H = CH2CO + H 1.000E+13 0.00 0.
224 !
225 CH2CO + O = CO2 + CH2 1.750E+12 0.00 1350.
226 CH2CO + O = HCO + HCO 2.300E+13 0.00 2300.
227 CH2CO + H = CH3 + CO 1.130E+13 0.00 3428.
228 CH2CO + H = HCCO + H2 5.000E+13 0.00 8000.
229 CH2CO + O = HCCO + OH 1.000E+13 0.00 8000.
230 CH2CO + OH = HCCO + H2O 7.500E+12 0.00 2000.
231 CH2CO + M = CH2 + CO + M 3.000E+14 0.00 70980.
232 C2H + O2 = CO + CO + H 5.000E+13 0.00 1500.
233 HCCO + H = CH2(S)+ CO 1.000E+14 0.00 0.
234 HCCO + O = H + CO + CO 1.000E+14 0.00 0.
235 HCCO + O2 = OH + CO + CO 1.600E+12 0.00 854.
236 HCCO + CH = C2H2 + CO 5.000E+13 0.00 0.
237 HCCO + HCCO = C2H2 + CO + CO 1.600E+12 0.00 854.
238 C2H + O = CH + CO 5.000E+13 0.00 0.
239 C2H + OH = HCCO + H 2.000E+13 0.00 0.
240 C3H2 + O2 = HCCO + HCO 1.000E+13 0.00 0.
241 C3H3 + O2 = CH2CO + HCO 3.000E+10 0.00 2868.
242 C3H3 + O = CH2O + C2H 2.000E+13 0.00 0.
243 C3H3 + OH = C3H2 + H2O 2.000E+13 0.00 0.
244 C2H2 + O2 = HCCO + OH 2.000E+08 1.50 30100.
245 C2H2 + M = C2H + H + M 4.200E+16 0.00 107000.
246 C2H4 + M = C2H2 + H2 + M 1.500E+15 0.00 55800.
247 H2 + O2 = OH + OH 1.700E+13 0.00 47780.
248 H2 + OH = H2O + H 1.170E+09 1.30 3626.
249 O + OH = O2 + H 8.000E+14 -0.60 0.
250 !H + O2 = O + OH 8.300E+13 0.00 14413.
251 O + H2 = OH + H 5.060E+04 2.67 6290.
252 H + O2 + M = HO2 + M 3.610E+17 -0.72 0.
253 H2O/21./ CO2/5.0/ H2/3.3/ CO/2.0/ AR/0.0/
254 H + O2 + AR = HO2 + AR 7.000E+17 -0.80 0.
255 OH + HO2 = H2O + O2 2.890E+13 0.00 497.
256 H + HO2 = OH + OH 1.700E+14 0.00 874.
257 O + HO2 = O2 + OH 1.400E+13 0.00 1073.
258 OH + OH = O + H2O 6.000E+08 1.30 0.
259 H + H + M = H2 + M 1.000E+18 -1.00 0.
260 H2O/0./ H/2./ H2/0./ CO2/0./ AR/0.5/
261 H + H + H2 = H2 + H2 9.200E+16 -0.60 0.
262 H + H + H2O = H2 + H2O 6.000E+19 -1.25 0.
263 H + H + CO2 = H2 + CO2 5.490E+20 -2.00 0.
264 H + OH + M = H2O + M 1.600E+22 -2.00 0.
265 H2/0.73/ H2O/3.65/ CH4/2.00/ C2H6/3.00/ AR/0.38/
266 H + O + M = OH + M 5.000E+17 -1.00 0.
267 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/0.50/
268 O + O + M = O2 + M 1.200E+17 -1.00 0.
269 H2/ 2.40/ H2O/15.40/ CH4/ 2.00/ CO/ 1.75/ CO2/ 3.60/ C2H6/ 3.00/ AR/ 0.50/
270 H + HO2 = H2 + O2 4.280E+13 0.00 1411.
271 HO2 + HO2 = H2O2 + O2 3.020E+12 0.00 1390. ! 1.300E+11 .000 -1630.00
272 H2O2 + M = OH + OH + M 1.200E+17 0.00 45500.
273 AR/0.5/
274 H2O2 + H = HO2 + H2 4.790E+13 0.00 7950.
275 H2O2 + OH = H2O + HO2 1.000E+13 0.00 1800.
276 H + HO2 = O + H2O 3.100E+10 0.00 1720.
277 O + OH + M = HO2 + M 6.400E+15 0.00 0.
278 AR/0.5/
279 H2O2 + H = H2O + OH 1.000E+13 0.00 3590.
280 H2O2 + O = H2O + O2 8.400E+11 0.00 4260.
281 H2O2 + O = OH + HO2 2.000E+13 0.00 5900.
282 H2 + HO2 = H2O + OH 6.500E+11 0.00 18800.
283 C2H6 + CH = H + C3H6 1.100E+14 0.00 -263.
284 C3H6 + O = CH3CO + CH3 5.000E+12 0.00 454.
285 C3H6 + O = C2H5 + HCO 1.500E+12 0.00 0.
286 CH3CO + H = CH2CO + H2 2.000E+13 0.00 0.
287 CH3CO + O = CH3 + CO2 2.000E+13 0.00 0.
288 CH3CO + CH3 = C2H6 + CO 5.000E+13 0.00 0.
289 CH3CO = CH3 + CO 2.300E+26 -5.00 17970.
290 !C2H3 + CH3 + M = C3H6 + M 5.000E+10 0.00 0.
291 CH3 + C2H3 = C3H6 2.000E+13 0.00 0.
292 CH3 + C2H2 = C3H5 6.000E+11 0.00 16000.
293 C2H5 + C3H5 = C2H4 + C3H6 4.000E+11 0.00 0.
294 C2H3 + C3H6 = C2H4 + C3H5 3.160E+12 0.00 31000.
295 C3H5 + H = C3H6 2.000E+13 0.00 0.
296 C2H6 + O2 = C2H5 + HO2 1.000E+13 0.00 48960.
297 C2H4 + O2 = C2H3 + HO2 4.200E+13 0.00 57590.
298 C2H5 + HO2 = C2H4 + H2O2 3.000E+11 0.00 0.
299 !
300 O3 + M = O2 + O + M 3.000E+14 0.00 22180.
301 O3 + O = O2 + O2 1.000E+13 0.00 4570.
302 O3 + H = O2 + OH 1.000E+14 0.00 890.
303 O3 + OH = HO2 + O2 1.000E+12 0.00 1848.
304 O3 + HO2 = OH + O2 + O2 1.000E+13 0.00 11000.
305 !
306 CH3OH = CH2OH + H 3.700E+15 0.00 96700.
307 CH3OH = CH3O + H 4.500E+15 0.00 96700.
308 CH3OH = CH3 + OH 3.800E+15 0.00 91700.
309 CH3OH + O2 = CH2OH + HO2 2.050E+13 0.0 44906.
310 CH3OH + H = CH2OH + H2 1.700E+07 2.10 4870.
311 CH3OH + H = CH3O + H2 4.200E+06 2.10 4870.
312 CH3OH + O = OH + CH2OH 3.880E+05 2.50 3100.
313 CH3OH + O = OH + CH3O 1.300E+05 2.50 5000.
314 CH3OH + OH = CH2OH + H2O 1.440E+06 2.00 -840.
315 CH3OH + OH = CH3O + H2O 6.300E+06 2.00 1500.
316 CH3OH + HO2 = CH2OH + H2O2 5.200E+13 0.00 19360.
317 CH3OH + CH3 = CH2OH + CH4 3.000E+07 1.50 9940.
318 CH3OH + CH3 = CH3O + CH4 1.000E+07 1.50 9940.
319 CH3OH + CH3O = CH3OH + CH2OH 3.00E+11 0.0 4000.
320 CH3O + CH3O = CH3OH + CH2O 1.200E+12 0.0 0.
321 CH2OH + CH2OH = CH3OH + CH2O 1.200E+12 0.0 0.
322 CH2OH + HCO = CH3OH + CO 1.200E+12 0.0 0.
323 !
324 C2H5OH = CH3 + CH2OH 3.020E+15 0.00 80600.
325 C2H5OH = C2H5 + OH 5.000E+16 0.00 91210.
326 C2H5OH = C2H4 + H2O 1.000E+14 0.00 76706.
327 C2H5OH + O2 = CH3CHOH + HO2 4.000E+13 0.00 51000.
328 C2H5OH + OH = CH3CHOH + H2O 8.000E+06 1.78 -1540.
329 C2H5OH + H = C2H5 + H2O 2.400E+10 0.00 0.
330 C2H5OH + H = CH3CHOH + H2 4.360E+12 0.00 4570.
331 C2H5OH + O = CH3CHOH + OH 6.000E+05 2.46 1850.
332 C2H5OH + HO2 = CH3CHOH + H2O2 6.310E+12 0.00 15000.
333 C2H5OH + CH3 = CH3CHOH + CH4 4.000E+12 0.00 9690.
334 C2H5OH + CH3O = CH3CHOH + CH3OH 2.000E+11 0.00 7000.
335 C2H5OH + CH2O = CH3CHOH + CH3O 1.500E+12 0.00 79500.
336 C2H5OH + C2H5 = CH3CHOH + C2H6 4.000E+13 0.00 10000.
337 C2H5OH + CH2OH = CH3CHOH + CH3OH 4.000E+11 0.00 9700.
338 !
339 CH3CHOH + M = CH3HCO + H + M 5.000E+13 0.00 21850.
340 CH3CHOH + O = CH3HCO + OH 9.040E+13 0.00 0.
341 CH3CHOH + OH = CH3HCO + H2O 1.500E+13 0.00 0.
342 CH3CHOH + H = CH3HCO + H2 2.000E+13 0.00 0.
343 CH3CHOH + O2 = CH3HCO + HO2 8.400E+15 -1.20 0.
344 CH3CHOH + HO2 = CH3HCO + OH + OH 1.000E+13 0.00 0.
345 !
346 CH3HCO = CH3 + HCO 7.080E+15 0.00 81760.
347 CH3HCO = CH3CO + H 5.000E+14 0.00 87860.
348 CH3HCO + O2 = CH3CO + HO2 2.000E+13 0.50 42200.
349 CH3HCO + H = CH3CO + H2 4.000E+13 0.00 4200.
350 CH3HCO + OH = CH3CO + H2O 1.000E+13 0.00 0.
351 CH3HCO + O = CH3CO + OH 5.000E+12 0.00 1790.
352 CH3HCO + CH3 = CH3CO + CH4 1.700E+12 0.00 8430.
353 CH3HCO + HO2 = CH3CO + H2O2 1.700E+12 0.00 10700.
354 C2H2 + C2H2 = C4H3 + H 2.000E+12 0.00 45900.
355 C4H3 + M = C4H2 + H + M 1.000E+16 0.00 59700.
356 C4H2 + O = C3H2 + CO 1.200E+12 0.00 0.
357 C2H2 + C2H = C4H2 + H 4.000E+13 0.00 0.
358 C3H4 + O = CH2O + C2H2 1.000E+12 0.00 0.
359 C3H4 + OH = CH2O + C2H3 1.000E+12 0.00 0.
360 C3H4 + O = HCO + C2H3 1.000E+12 0.00 0.
361 C3H4 + OH = HCO + C2H4 1.000E+12 0.00 0.
362 C3H6 + O = CH2O + C2H4 5.900E+13 0.00 0.
363 C3H6 + OH = CH3 + CH3HCO 7.080E+12 0.00 0.
364 C3H6 + OH = C3H5 + H2O 4.000E+12 0.00 0.
365 C3H6 + OH = C2H5 + CH2O 8.000E+12 0.00 0.
366 C3H6 + H = C3H5 + H2 5.000E+12 0.00 1500.
367 C3H6 + CH3 = C3H5 + CH4 1.000E+11 0.00 8500.
368 C3H6 + C2H5 = C3H5 + C2H6 1.000E+11 0.00 9200.
369 C3H5 = C3H4 + H 4.000E+13 0.00 70000.
370 C3H5 + O2 = C3H4 + HO2 6.020E+11 0.00 10000.
371 C3H5 + H = C3H4 + H2 1.000E+13 0.00 0.
372 C3H5 + CH3 = C3H4 + CH4 1.000E+12 0.00 0.
373 !
374 CH3 + O2 = CH3O2 9.020E+58 -15.0 17204.
375 CH3O2 + HO2 = CH4O2 + O2 4.630E+10 0.0 -2583.
376 CH3O2 + CH4 = CH4O2 + CH3 1.810E+11 0.0 18480.
377 CH3O2 + CH3 = CH3O + CH3O 2.410E+13 0.0 0.
378 CH3O2 + O = CH3O + O2 3.610E+13 0.0 0.
379 CH3O2 + H = CH3O + OH 9.640E+13 0.0 0.
380 CH3O2 + OH = CH3OH + O2 6.030E+13 0.0 0.
381 CH3O2 + CH2O = CH4O2 + HCO 1.000E+12 0.0 11665.
382 CH3O2 + CH3OH = CH4O2 + CH2OH 1.800E+12 0.0 13712.
383 CH3O2 + C2H6 = CH4O2 + C2H5 2.950E+11 0.0 14944.
384 CH4O2 = CH3O + OH 4.000E+15 0.0 42924.
385 CH4O2 + OH = CH3O2 + H2O 8.200E+11 0.0 -258.
386 !
387 CH3OCH3 + H = CH3OCH2 + H2 8.400E+07 2.00 7700.
388 CH3OCH3 + O = CH3OCH2 + OH 6.540E+06 2.40 5500.
389 CH3OCH3 + OH = CH3OCH2 + H2O 6.560E+09 1.00 1590.
390 CH3OCH3 + HO2 = CH3OCH2 + H2O2 4.200E+12 0.00 13875.
391 CH3OCH3 + CH3O = CH3OCH2 + CH3OH 2.600E+12 0.00 7000.
392 CH3OCH3 + O2 = CH3OCH2 + HO2 4.100E+13 0.00 44906.
393 CH3OCH3 + CH3 = CH3OCH2 + CH4 1.950E+12 0.00 11600.
394 CH3OCH3 = CH3+CH3O 2.620E+16 0.0 82202.
395 CH3OCH3 = CH3OCH2 + H 2.588E+16 .265 104300.
396 CH3OCH2 = CH3+CH2O 3.300E+14 0.0 31000. ! 4.3
397 CH3OCH2 + CH3O = CH3OCH3 + CH2O 6.030E+13 0.0 0.
398 CH3OCH2 + O2 = CH3OCH2OO 2.000E+42 -10.3 6080.
399 CH3OCH2 + O2 = HCOOCH3 + OH 5.480E+13 0.0 8370.
400 CH3OCH2 + HO2 = CH2O + CH3O + OH 3.000E+12 0.0 0.
401 CH3OCH2 + H2O2 = CH2O + CH3O + H2O 3.000E+12 0.0 0.
402 CH3OCH2OO + CH3OCH3 = CH3OCH2OOH+CH3OCH2 1.200E+12 0.0 14000. ! 2.2
403 CH3OCH2OOH = CH3OCH2O + OH 8.200E+08 3.65 34000.
404 CH3OCH2O = CH3O + CH2O 4.000E+14 0.0 15600.
405 CH3OCH2O + O2 = HCOOCH3 + HO2 2.000E+12 0.0 6000.
406 CH3OCH2OOH = CH2O + CH2O + H2O 8.800E+12 0.0 16000.
407 CH3OCH3 + CH3O2 = CH3OCH2 + CH4O2 1.500E+13 0.0 13700. ! 2.0
408 CH3O2 + CH3O2 = CH3O + CH3O + O2 6.300E+10 0.0 -600.
409 CH3O2 + CH3O2 = CH3OCH2O + HO2 6.300E+10 0.0 -600.
410 ! new termination reactions
411 CH3OCH2O + CH3 = CH4 + HCOOCH3 6.000E+13 0.0 0.
412 CH3OCH2O + H = H2 + HCOOCH3 6.000E+13 0.0 0.
413 CH3OCH2O + HO2 = H2O2 + HCOOCH3 6.000E+13 0.0 0.
414 CH3OCH2O + O = OH + HCOOCH3 6.000E+13 0.0 0.
415 CH3OCH2O + OH = H2O + HCOOCH3 6.000E+13 0.0 0.
416 CH3OCH2O + C2H5 = C2H6 + HCOOCH3 6.000E+13 0.0 0.
417 CH3OCH2O + CH3OCH2 = CH3OCH3 + HCOOCH3 6.000E+13 0.0 0.
418 CH3OCH2O + CH3O = CH3OH + HCOOCH3 6.000E+13 0.0 0.
419 HCOOCH3 = CH4 + CO2 6.000E+09 0.0 48520.
420 HCOOCH3 = CH3O + HCO 6.200E+09 1.61 102580.
421 HCOOCH3 + O = CH3OCO + OH 5.360E+11 0.6 2900.
422 HCOOCH3 + H = CH3OCO + H2 1.620E+08 1.6 1980.
423 HCOOCH3 + OH = CH3OCO + H2O 1.200E+09 1.3 -280.
424 HCOOCH3 + HO2 = CH3OCO + H2O2 4.000E+12 0.0 12060.
425 HCOOCH3 + CH3 = CH3OCO + CH4 9.900E-03 4.5 3420.
426 HCOOCH3 + CH3O = CH3OCO + CH3OH 1.020E+11 0.0 2980.
427 HCOOCH3 + CH3OCH2 = CH3OCO + CH3OCH3 1.100E-03 4.9 3480.
428 CH3OCO = CO2 + CH3 1.000E+11 1.1 860.
429 !
430 H + CH = C + H2 1.100E+14 0.0 0.
431 C + O2 = O + CO 5.800E+13 0.0 576.
432 C + CH2 = H + C2H 5.000E+13 0.0 0.
433 C + CH3 = H + C2H2 5.000E+13 0.0 0.
434 END