| blob | c6e1d748e4b53038660732dd85b4c27c35ffcd9f |
1 ELEMENTS
2 H O C N AR
3 END
4 SPECIES
5 H H2 H2O H2O2 HO2 HCO HCCO
6 O O2 OH CO CO2 CH2O CH4
7 CH3 CH3O CH2CO CH2 CH CH3OH CH2OH
8 CH3CHO CH3CO C2H6 C2H5 C2H4 C2H3 C2H2
9 C2H C3H8 C3H6 C3H5 C3H4 C4H3 C4H2
10 C4H C4H10 IC4H7 C4H6 C5H10 C6H11 C6H12
11 C6H10 IC3H7 IC4H8 IC4H9 PC4H9 SC4H9
12 !
13 IC8H18 IC8H16 IC7H15
14 IC7H13 IC4H10 NC3H7 PC4H8
15 SC4H8 TC4H9 AC8H17 BC8H17 CC8H17 DC8H17 AC7H14
16 CC7H14 NEOC5H11 NEOC5H11O2 NEOC5H11O NEOC5H11O2H NEOC5H10OOH
17 R1C8H17OO R2C8H17OO C8H16OOH R1C8H16OOHOO R2C8H16OOHOO C8H15O4H2
18 C7H14CHO(OOH) C6H13CHO C6H13CO IC6H13
19 N2 N N2O NO NO2 AR
20 END
21 THERMO
22 CH3CHO 120186C 2O 1H 4 0G 0300.00 5000.00 1000.00 1
23 0.05868650E+02 0.01079424E+00-0.03645530E-04 0.05412912E-08-0.02896844E-12 2
24 -0.02264569E+06-0.06012946E+02 0.02505695E+02 0.01336991E+00 0.04671953E-04 3
25 -0.01128140E-06 0.04263566E-10-0.02124589E+06 0.01335089E+03 4
26 CH3CO T 9/92C 2H 3O 1 0G 200.000 6000.00 1000.0 1
27 0.59447731E+01 0.78667205E-02-0.28865882E-05 0.47270875E-09-0.28599861E-13 2
28 -0.37873075E+04-0.50136751E+01 0.41634257E+01-0.23261610E-03 0.34267820E-04 3
29 -0.44105227E-07 0.17275612E-10-0.26574529E+04 0.73468280E+01-0.12027167E+04 4
30 C3H6 PROPYLENE L 4/85C 3H 6 0 0G 300.000 5000.00 1000.0 1
31 0.67213974E 01 0.14931757E-01-0.49652353E-05 0.72510753E-09-0.38001476E-13 2
32 -0.92453149E 03-0.12155617E 02 0.14575157E 01 0.21142263E-01 0.40468012E-05 3
33 -0.16319003E-07 0.70475153E-11 0.10740208E 04 0.17399460E 02 0.24557265E 04 4
34 C3H5 SYMMETRIC T 9/96C 3H 5 0 0G 200.000 6000.00 1000.0 1
35 0.70094568D+01 0.13106629D-01-0.46533442D-05 0.74514323D-09-0.44350051D-13 2
36 0.16412909D+05-0.13946114D+02 0.14698036D+01 0.19034365D-01 0.14480425D-04 3
37 -0.35468652D-07 0.16647594D-10 0.18325831D+05 0.16724114D+02 0.19675772D+05 4
38 C3H8 PROPANE L 4/85C 3H 8 0 0G 300.000 5000.00 1000.0 1
39 0.75341368E 01 0.18872239E-01-0.62718491E-05 0.91475649E-09-0.47838069E-13 2
40 -0.16467516E 05-0.17892349E 02 0.93355381E 00 0.26424579E-01 0.61059727E-05 3
41 -0.21977499E-07 0.95149253E-11-0.13958520E 05 0.19201691E 02-0.12489986E 05 4
42 C3H4 ALLENE L 8/89C 3H 4 0 0G 200.000 6000.00 1000.0 1
43 0.63168722E+01 0.11133728E-01-0.39629378E-05 0.63564238E-09-0.37875540E-13 2
44 0.20117495E+05-0.10995766E+02 0.26130445E+01 0.12122575E-01 0.18539880E-04 3
45 -0.34525149E-07 0.15335079E-10 0.21541567E+05 0.10226139E+02 0.22962267E+05 4
46 C4H3 L 9/89C 4H 3 0 0G 300.000 5000.000 1000.00 1
47 0.84762079E+01 0.88782327E-02-0.30328412E-05 0.47358302E-09-0.27716627E-13 2
48 0.54756540E+05-0.17170551E+02 0.24173247E+01 0.24104782E-01-0.12813470E-04 3
49 -0.28606237E-08 0.39194527E-11 0.56506476E+05 0.14471107E+02 0.58181574E+05 4
50 C4H10 62090C 4H 10 0G 0300.00 4000.00 1500.00 1
51 0.01998785E+03 0.01037281E+00-0.09610818E-05-0.04623018E-08 0.08202828E-12 2
52 -0.02625571E+06-0.08837907E+03-0.02256618E+02 0.05881732E+00-0.04525783E-03 3
53 0.02037115E-06-0.04079458E-10-0.01760233E+06 0.03329595E+03 4
54 C4H7 2/14/95 C 4H 7 0 0G 300.000 5000.000 1392.00 1
55 0.90657617E+01 0.19477743E-01-0.73385554E-05 0.12863733E-08-0.85601393E-13 2
56 0.10187905E+05-0.24022063E+02-0.34391326E+01 0.67889035E-01-0.92118162E-04 3
57 0.75423011E-07-0.25411345E-10 0.13278011E+05 0.37956421E+02 0.14593283E+05 4
58 IC4H7 CH2=CHCHCH3 C 4H 70 00 0G 300.00 3000.00 1000.00 1
59 0.5521420E+01 0.2683684E-01 -0.1286430E-04 0.3088640E-08 -0.3030856E-12 2
60 0.1198044E+05 -0.4495640E+01 -0.1080514E+01 0.4638686E-01 -0.3464697E-04 3
61 0.1401374E-07 -0.2395040E-11 0.1375538E+05 0.2933150E+02 4
62 C5H10 12/52C 5H 10 0 0G 300.000 5000.000 1000.00 1
63 0.12541454E 02 0.23941070E-01-0.77445529E-05 0.11157970E-08-0.57968116E-13 2
64 -0.87175352E 04-0.39854187E 02 0.17627859E 01 0.38902789E-01 0.58380774E-05 3
65 -0.30547188E-07 0.13839465E-10-0.48109883E 04 0.19929169E 02-0.25594116E 04 4
66 C6H11 2/14/95 C 6H 11 0 0G 300.000 5000.000 1388.00 1
67 1.73781063E+01 2.52715626E-02-8.74710351E-06 1.36884407E-09-7.98569285E-14 2
68 1.33730775E+03-6.77269441E+01-1.78981302E+00 6.71660911E-02-4.34180588E-05 3
69 1.43931014E-08-1.96953043E-12 8.35230470E+03 3.63570478E+01 4
70 C6H10 C 6H 10N 0O 0G 300.00 5000.00 1000.00 1
71 0.12656940E+02 0.28236120E-01-0.10406250E-04 0.18530920E-08-0.12592180E-12 2
72 0.39164010E+04-0.38104860E+02-0.94988270E+00 0.60725200E-01-0.30414580E-04 3
73 -0.35837280E-08 0.64369670E-11 0.79947620E+04 0.33574390E+02 4
74 IC3H7 I-L 9/84C 3H 7 0 0G 300.000 5000.00 1000.0 1
75 0.65294638E 01 0.17193288E-01-0.57153220E-05 0.83408080E-09-0.43663532E-13 2
76 0.77179102E 04-0.91399021E 01 0.14461584E 01 0.20988975E-01 0.77172672E-05 3
77 -0.18481391E-07 0.71269024E-11 0.98206094E 04 0.20108200E 02 0.11221480E 05 4
78 IC4H8 5/27/97 THERMC 4H 8 0 0G 300.000 5000.000 1388.000 1
79 1.12258330E+01 1.81795798E-02-6.20348592E-06 9.61444458E-10-5.57088057E-14 2
80 -7.69983777E+03-3.73306704E+01 9.38433173E-01 3.90547287E-02-2.16437148E-05 3
81 5.87267077E-09-6.14435479E-13-3.74817891E+03 1.91442985E+01 4
82 IC4H9 9/19/91 THERMC 4H 9 0 0G 300.000 5000.000 1393.00 1
83 1.22753162E+01 1.95174006E-02-6.68773001E-06 1.03935193E-09-6.03374502E-14 2
84 1.69244882E+03-4.08932742E+01-1.00837472E+00 5.01087003E-02-3.41941210E-05 3
85 1.26025783E-08-1.97552053E-12 6.42407431E+03 3.07281021E+01 4
86 IC4H10 9/19/91 THERMC 4H 10 0 0G 300.000 5000.000 1389.00 1
87 1.25733114E+01 2.18926418E-02-7.52538350E-06 1.17205495E-09-6.81446681E-14 2
88 -2.31696746E+04-4.68044254E+01-1.01277508E+00 5.04683181E-02-3.00502072E-05 3
89 9.15435582E-09-1.15326683E-12-1.80495698E+04 2.74256872E+01 4
90 NC3H7 N-L 9/84C 3H 7 0 0G 300.000 5000.00 1000.0 1
91 0.77026987E 01 0.16044203E-01-0.52833220E-05 0.76298590E-09-0.39392284E-13 2
92 0.82984336E 04-0.15480180E 02 0.10515518E 01 0.25991980E-01 0.23800540E-05 3
93 -0.19609569E-07 0.93732470E-11 0.10631863E 05 0.21122559E 02 0.12087447E 05 4
94 IC8H18 4/85C 8.H 18. 0. 0.G 300.000 5000.00 1000.00 1
95 0.23503891E 02 0.39657507E-01-0.13128325E-04 0.19592787E-08-0.10658157E-12 2
96 -0.36518059E 05-0.95243149E 02 0.18952761E 01 0.69645584E-01 0.14661359E-04 3
97 -0.60905563E-07 0.26589383E-10-0.28789637E 05 0.24422028E 02-0.25107010E 05 4
98 IC8H16 12/52C 8.H 16. 0. 0.G 300.000 5000.00 1000.00 1
99 0.20831284E 02 0.38294513E-01-0.12417870E-04 0.17957589E-08-0.93705913E-13 2
100 -0.20133141E 05-0.79240051E 02 0.26075478E 01 0.64282537E-01 0.92502323E-05 3
101 -0.51046708E-07 0.23316557E-10-0.13597527E 05 0.21584656E 02-0.99738727E 04 4
102 IC7H15 10/83C 7H 15 0 0G 200.000 5000.00 1000.00 1
103 0.12660566E+02 0.47893065E-01-0.19735835E-04 0.37298693E-08-0.26299814E-12 2
104 -0.64258434E+04-0.34510489E+02 0.10280414E+02 0.70155356E-03 0.15955135E-03 3
105 -0.20959318E-06 0.83344532E-10-0.36030731E+04-0.10315257E+02 0.52799263E+03 4
106 IC6H13 10/83C 6H 13 0 0G 300.000 5000.00 1000.00 1
107 0.12759770E 02 0.37134279E-01-0.14256110E-04 0.25052556E-08-0.16459707E-12 2
108 -0.35693750E 04-0.36999527E 02 0.23062353E 01 0.50200045E-01 0.79387773E-05 3
109 -0.41260655E-07 0.18794369E-10 0.10269711E 03 0.20896637E 02 0.30188548E 04 4
110 C6H12 2/14/95 C 6.H 12.O 0. 0.G 300.000 5000.000 1
111 1.78337529e+01 2.67377658e-02-9.10036773e-06 1.40819768e-09-8.15124244e-14 2
112 -1.42062860e+04-6.83818851e+01-1.35275205e+00 6.98655426e-02-4.59408022e-05 3
113 1.56967343e-08-2.21296175e-12-7.34368617e+03 3.53120691e+01 4
114 PC4H8 6/83C 4H 8 0 0G 300.000 5000.00 1000.0 1
115 0.20535841E+01 0.34350507E-01-0.15883197E-04 0.33089662E-08-0.25361045E-12 2
116 -0.21397231E+04 0.15556360E+02 0.11811380E+01 0.30853380E-01 0.50865247E-05 3
117 -0.24654888E-07 0.11110193E-10-0.17904004E+04 0.21075639E+02-0.06494670E+03 4
118 SC4H8 6/83C 4H 8 0 0G 300.000 5000.00 1000.0 1
119 0.20535841E+01 0.34350507E-01-0.15883197E-04 0.33089662E-08-0.25361045E-12 2
120 -0.21397231E+04 0.15556360E+02 0.11811380E+01 0.30853380E-01 0.50865247E-05 3
121 -0.24654888E-07 0.11110193E-10-0.17904004E+04 0.21075639E+02-0.06494670E+03 4
122 IC7H13 2/10/95 C 7H 13 0 0G 300.000 5000.000 1392.000 1
123 2.06977799E+01 2.93585249E-02-9.99754351E-06 1.54773305E-09-8.96230815E-14 2
124 -1.23454647E+03-8.35627043E+01-2.01707658E+00 8.08915559E-02-5.43383904E-05 3
125 1.88066108E-08-2.66059253E-12 6.81102828E+03 3.89797235E+01 4
126 PC4H9 1/14/95 THERMC 4H 9 0 0G 300.000 5000.000 1395.00 1
127 1.21510082E+01 1.94310717E-02-6.61577950E-06 1.02375136E-09-5.92529707E-14 2
128 3.17231942E+03-3.93425822E+01-4.37779725E-01 4.78972364E-02-3.14023159E-05 3
129 1.09786472E-08-1.62010664E-12 7.68945248E+03 2.86852732E+01 4
130 SC4H9 1/14/95 THERMC 4H 9 0 0G 300.000 5000.000 1373.00 1
131 1.18293992E+01 1.94203812E-02-6.55835141E-06 1.00989031E-09-5.82693176E-14 2
132 1.79315973E+03-3.68210535E+01 7.70280143E-01 3.86280904E-02-1.57100260E-05 3
133 7.16860109E-10 7.00801289E-13 6.28812837E+03 2.49106489E+01 4
134 TC4H9 9/19/91 THERMC 4H 9 0 0G 300.000 5000.000 1381.00 1
135 9.94382112E+00 2.16693078E-02-7.47001405E-06 1.16578454E-09-6.78791834E-14 2
136 -4.06100251E+02-2.98153785E+01-2.73729204E+00 4.55390345E-02-2.26390939E-05 3
137 4.56951052E-09-1.55321795E-13 4.65498223E+03 4.04683378E+01 4
138 AC8H17 C 8H 17O 0 G 0300.00 5000.00 1000.00 1
139 1.65781E+01 4.79568E-02 -1.58330E-05 2.45887E-09 -1.47904E-13 2
140 -1.13886E+04 -5.77977E+01 -2.45792E+00 1.00416E-01 -5.52412E-05 3
141 8.18171E-10 7.48841E-12 -6.56307E+03 3.95814E+01 4
142 BC8H17 C 8H 17O 0 G 0300.00 5000.00 1000.00 1
143 1.62241E+01 4.79657E-02 -1.57712E-05 2.44271E-09 -1.46688E-13 2
144 -1.16619E+04 -5.66316E+01 -2.80712E+00 1.03796E-01 -6.59900E-05 3
145 1.23120E-08 3.42374E-12 -6.98775E+03 3.99281E+01 4
146 CC8H17 C 8H 17O 0 G 0300.00 5000.00 1000.00 1
147 1.54473E+01 4.88291E-02 -1.61009E-05 2.49663E-09 -1.49924E-13 2
148 -1.33788E+04 -5.27801E+01 -8.35087E-01 9.07781E-02 -3.96894E-05 3
149 -1.04780E-08 1.07794E-11 -9.15033E+03 3.11321E+01 4
150 DC8H17 C 8H 17O 0 G 0300.00 5000.00 1000.00 1
151 1.65979E+01 4.79226E-02 -1.58133E-05 2.45430E-09 -1.47533E-13 2
152 -1.27049E+04 -5.83133E+01 -2.57455E+00 1.01220E-01 -5.71585E-05 3
153 2.71860E-09 6.82038E-12 -7.85889E+03 3.96706E+01 4
154 AC7H14 12/52C 7H 14 0 0G 298.150 5000.00 1000.00 1
155 0.13952881E+02 0.41712158E-01-0.16157950E-04 0.29187538E-08-0.19958112E-12 2
156 -0.14853311E+05-0.43649205E+02 0.19140427E+01 0.58601697E-01 0.16939333E-05 3
157 -0.38140418E-07 0.18157007E-10-0.10616395E+05 0.22793909E+02-0.74928962E+04 4
158 CC7H14 12/52C 7H 14 0 0G 298.150 5000.00 1000.00 1
159 0.13952881E+02 0.41712158E-01-0.16157950E-04 0.29187538E-08-0.19958112E-12 2
160 -0.14853311E+05-0.43649205E+02 0.19140427E+01 0.58601697E-01 0.16939333E-05 3
161 -0.38140418E-07 0.18157007E-10-0.10616395E+05 0.22793909E+02-0.74928962E+04 4
162 NEOC5H11 8/ 8/95 THERMC 5H 11 0 0G 300.000 5000.000 1396.00 1
163 1.66238394E+01 2.27037884E-02-7.71624835E-06 1.19289853E-09-6.90060600E-14 2
164 -3.96463755E+03-6.44711904E+01-1.58140132E+00 6.57175067E-02-4.68120314E-05 3
165 1.74732793E-08-2.68709925E-12 2.30933742E+03 3.31296742E+01 4
166 NEOC5H11O2 7/13/98 C 5H 11O 2 0G 300.000 5000.000 1396.000 1
167 2.02157247e+01 2.45786365e-02-8.41704919e-06 1.30775217e-09-7.59095109e-14 2
168 -2.31877371e+04-8.01387611e+01 7.30403748e-01 7.05036948e-02-5.02866599e-05 3
169 1.89083885e-08-2.94948183e-12-1.64308023e+04 2.44155402e+01 4
170 NEOC5H11O2H 7/13/98 C 5H 12O 2 0G 300.000 5000.000 1399.000 1
171 2.26835440e+01 2.46838700e-02-8.47310667e-06 1.31876182e-09-7.66483771e-14 2
172 -4.12877712e+04-9.44344738e+01-1.38233642e-01 7.89911468e-02-5.79776533e-05 3
173 2.18789315e-08-3.35549515e-12-3.34973569e+04 2.77192466e+01 4
174 NEOC5H11O 7/25/95 C 5H 11O 1 0G 300.000 5000.000 1399.00 1
175 1.91195281e+01 2.30837786e-02-7.83941709e-06 1.21152000e-09-7.00727365e-14 2
176 -2.15314869e+04-7.85283647e+01-2.41265702e+00 7.56872456e-02-5.73116804e-05 3
177 2.24731318e-08-3.58123651e-12-1.43300707e+04 3.62184819e+01 4
178 NEOC5H10OOH 7/13/98 C 5H 11O 2 0G 300.000 5000.000 1398.000 1
179 2.22450472e+01 2.26188828e-02-7.78497419e-06 1.21384469e-09-7.06396166e-14 2
180 -1.62363251e+04-8.81677091e+01 5.91196875e-01 7.45002878e-02-5.55445714e-05 3
181 2.13010197e-08-3.32171399e-12-8.87531001e+03 2.76174107e+01 4
182 R1C8H17OO C 8H 17O 2 G 0300.00 5000.00 1000.00 1
183 2.61790E+01 4.02621E-02 -1.21840E-05 1.77416E-09 -1.01822E-13 2
184 -3.13354E+04 -1.06205E+02 -1.33130E+00 1.07392E-01 -5.66082E-05 3
185 -2.14473E-09 8.62014E-12 -2.33465E+04 3.80377E+01 4
186 R2C8H17OO C 8H 17O 2 G 0300.00 5000.00 1000.00 1
187 2.62593E+01 4.03680E-02 -1.22510E-05 1.78708E-09 -1.02664E-13 2
188 -3.33124E+04 -1.07806E+02 2.94226E+00 7.88952E-02 1.36336E-05 3
189 -7.23591E-08 3.30247E-11 -2.59761E+04 1.82269E+01 4
190 C8H16OOH C 8H 17O 2 G 0300.00 5000.00 1000.00 1
191 2.59673E+01 3.94986E-02 -1.17491E-05 1.69063E-09 -9.62759E-14 2
192 -2.86414E+04 -1.02359E+02 4.63771E+00 7.70682E-02 5.46587E-06 3
193 -6.02176E-08 2.84759E-11 -2.20723E+04 1.22966E+01 4
194 R1C8H16OOHOO C 8H 17O 4 G 0300.00 5000.00 1000.00 1
195 3.12917E+01 3.92720E-02 -1.14955E-05 1.63072E-09 -9.17048E-14 2
196 -4.28382E+04 -1.25286E+02 7.66149E-01 1.15621E-01 -6.49312E-05 3
197 3.70399E-10 8.77610E-12 -3.41337E+04 3.41493E+01 4
198 R2C8H16OOHOO C 8H 17O 4 G 0300.00 5000.00 1000.00 1
199 3.11894E+01 3.96996E-02 -1.17505E-05 1.68813E-09 -9.62085E-14 2
200 -4.47408E+04 -1.25460E+02 4.88546E+00 8.81941E-02 2.74357E-06 3
201 -6.72842E-08 3.22758E-11 -3.67468E+04 1.53975E+01 4
202 C8H15O4H2 C 8H 17O 4 G 0300.00 5000.00 1000.00 1
203 3.10304E+01 3.86064E-02 -1.11232E-05 1.56165E-09 -8.72809E-14 2
204 -4.01259E+04 -1.20761E+02 6.53997E+00 8.66547E-02 -6.12155E-06 3
205 -5.44439E-08 2.74796E-11 -3.28388E+04 9.64038E+00 4
206 C7H14CHO(OOH) C 8H 16O 3 G 0300.00 5000.00 1000.00 1
207 2.34007E+01 4.58018E-02 -1.53548E-05 2.41072E-09 -1.46115E-13 2
208 -5.82798E+04 -8.43852E+01 -1.22819E+00 1.10258E-01 -6.32868E-05 3
209 2.95991E-09 7.38667E-12 -5.15453E+04 4.31889E+01 4
210 C6H13CHO C 7H 14O 1 G 0300.00 5000.00 1000.00 1
211 1.98891043e+01 2.71869340e-02-9.27391515e-06 1.43744158e-09-8.33090761e-14 2
212 -3.97523444e+04-7.60741671e+01 1.37517192e+00 6.65669689e-02-4.04423050e-05 3
213 1.23836270e-08-1.52905857e-12-3.28740986e+04 2.48343934e+01 4
214 C6H13CO C 7H 13O 1 G 0300.00 5000.00 1000.00 1
215 1.94783812e+01 2.50466029e-02-8.54861346e-06 1.32557944e-09-7.68503296e-14 2
216 -2.07923937e+04-7.21995578e+01 2.14479069e+00 6.17863563e-02-3.74134690e-05 3
217 1.13283795e-08-1.36917698e-12-1.43451172e+04 2.23128045e+01 4
218 C5H11 T03/97C 5.H 11. 0. 0.G 298.150 5000.00 1000.00 1
219 1.13324106E+01 3.03659897E-02-1.13934480E-05 1.99539733E-09-1.32825012E-13 2
220 -5.95299959E+03-3.13564905E+01 3.57867617E+00 3.04236365E-02 3.27768270E-05 3
221 -5.86453147E-08 2.39315107E-11-2.60420265E+03 1.42591121E+01 6.68760000E+03 4
222 END
223 REACTIONS
224 H+O2=O+OH 5.13E+16 -0.8 16510.0 !1
225 H2+O=H+OH 1.82E+10 1.0 8900.0 !2
226 H2O+O=OH+OH 6.76E+13 0.0 18350.0 !3
227 H2O+H=H2+OH 9.55E+13 0.0 20300.0 !4
228 H2O2+OH=H2O+HO2 1.00E+13 0.0 1800.0 !5
229 H2O+M=H+OH+M 2.19E+16 0.0 105000.0 !6
230 H2O/2.0E+01/
231 H+O2+M=HO2+M 1.66E+15 0.0 -1000.0 !7
232 H2O/2.1E+01/ CO2/5.0E+00/ CO/2.00E+00/ H2/3.3E+00/
233 HO2+O=OH+O2 5.01E+13 0.0 1000.0 !8
234 HO2+H=OH+OH 2.51E+14 0.0 1900.0 !9
235 HO2+H=H2+O2 2.51E+13 0.0 700.0 !10
236 HO2+OH=H2O+O2 5.01E+13 0.0 1000.0 !11
237 H2O2+O2=HO2+HO2 3.98E+13 0.0 42640.0 !12
238 H2O2(+M)=OH+OH(+M) 3.00E+14 0.0 48500.0 !13
239 LOW /2.0E17 0. 48.5E3/
240 TROE /1.0 1.0 1.0E8/
241 H2/2/ H2O/12/ CO/1.9/ CO2/3.8/
242 H2O2+H=HO2+H2 1.70E+12 0.0 3750.0 !14
243 O+H+M=OH+M 1.00E+16 0.0 0.0 !15
244 O2+M=O+O+M 5.13E+15 0.0 115000.0 !16
245 H2+M=H+H+M 2.19E+14 0.0 96000.0 !17
246 H2O/6.0E+00/ H/2.0E+00/ H2/3.0E+00/
247 CO+OH=CO2+H 1.51E+07 1.3 -770.0 !18
248 CO+HO2=CO2+OH 1.51E+14 0.0 23650.0 !19
249 CO+O+M=CO2+M 5.89E+15 0.0 4100.0 !20
250 CO2+O=CO+O2 2.75E+12 0.0 43830.0 !21
251 HCO+OH=CO+H2O 1.00E+14 0.0 0.0 !22
252 HCO+M=H+CO+M 1.45E+14 0.0 19000.0 !23
253 HCO+H=CO+H2 2.00E+14 0.0 0.0 !24
254 HCO+O=CO+OH 1.00E+14 0.0 0.0 !25
255 !HCO+HO2=CH2O+O2 1.20E+13 0.0 3000.0 !26
256 CH2O+O2=HCO+HO2 6.200E+13 0.0 37000.0 !
257 HCO+O2=CO+HO2 3.98E+12 0.0 0.0 !27
258 CH2O+M=HCO+H+M 3.31E+16 0.0 81000.0 !28
259 CH2O+OH=HCO+H2O 3.59E+11 0.0 170.0 !29
260 CH2O+H=HCO+H2 3.31E+14 0.0 10500.0 !30
261 CH2O+O=HCO+OH 5.01E+13 0.0 4600.0 !31
262 CH2O+HO2=HCO+H2O2 2.00E+11 0.0 8000.0 !32
263 CH4+M=CH3+H+M 1.41E+17 0.0 88400.0 !33
264 CH4+H=CH3+H2 1.26E+14 0.0 11900.0 !34
265 CH4+OH=CH3+H2O 3.47E+03 3.1 2000.0 !35
266 CH4+O=CH3+OH 2.14E+06 2.2 6480.0 !36
267 CH4+HO2=CH3+H2O2 2.00E+13 0.0 18000.0 !37
268 CH3+HO2=CH3O+OH 3.64E+13 0.0 0.0 !38 3.24
269 CH4+CH2=CH3+CH3 4.00E+12 0.00 -570.0 !
270 CH3+OH=CH2O+H2 3.98E+12 0.0 0.0 !39
271 CH3+O=CH2O+H 1.29E+14 0.0 2000.0 !40
272 CH3+O2=CH3O+O 3.79E+13 0.0 30000.0 !41
273 CH3+O2=CH2O+OH 4.80E+10 0.0 9000.0 !
274 CH2O+CH3=CH4+HCO 1.00E+10 0.5 6000.0 !42
275 CH3+HCO=CH4+CO 3.02E+11 0.5 0.0 !43
276 CH3+HO2=CH4+O2 1.00E+12 0.0 400.0 !44
277 CH3O+M=CH2O+H+M 5.01E+13 0.0 21000.0 !45
278 CH3O+O2=CH2O+HO2 7.59E+10 0.0 2700.0 !46
279 !CH3+CH3 = C2H6 2.70D+53 -12.0 19400.0 !47
280 CH3+CH3 = C2H6 2.02E+16 -0.97 620.0 !
281 C2H6+CH3=C2H5+CH4 5.50E-01 4.0 8280.0 !48
282 C2H6+H=C2H5+H2 5.37E+02 3.5 5200.0 !49
283 C2H6+OH=C2H5+H2O 8.71E+09 1.1 1810.0 !50
284 C2H6+O=C2H5+OH 1.12E+14 0.0 7850.0 !51
285 C2H5+M=C2H4+H+M 2.00E+15 0.0 3000.0 !52
286 C2H5+O2=C2H4+HO2 1.00E+12 0.0 5000.0 !53
287 C2H4+C2H4=C2H5+C2H3 5.01E+14 0.0 64700.0 !54
288 C2H4+M=C2H2+H2 9.33E+16 0.0 77200.0 !55
289 C2H4+M=C2H3+H+M 6.31E+18 0.0 108720.0 !56
290 C2H4+O=CH3+HCO 3.31E+12 0.0 1130.0 !57
291 C2H4+O=CH2O+CH2 2.51E+13 0.0 5000.0 !58
292 C2H4+H=C2H3+H2 1.51E+07 2.0 6000.0 !59
293 C2H4+OH=C2H3+H2O 4.79E+12 0.0 1230.0 !60
294 C2H4+OH=CH3+CH2O 2.00E+12 0.0 960.0 !61
295 C2H3+M=C2H2+H+M 7.94E+14 0.0 31500.0 !62
296 C2H3+O2=C2H2+HO2 1.00E+12 0.0 10000.0 !63
297 C2H2+M=C2H+H+M 1.00E+14 0.0 114000.0 !64
298 C2H2+O2=HCO+HCO 3.98E+12 0.0 28000.0 !65
299 C2H2+H=C2H+H2 2.00E+14 0.0 19000.0 !66
300 C2H2+OH=C2H+H2O 6.03E+12 0.0 7000.0 !67
301 C2H2+OH=CH2CO+H 3.24E+11 0.0 200.0 !68
302 C2H2+O=C2H+OH 3.24E+15 -0.6 17000.0 !69
303 C2H2+O=CH2+CO 6.76E+13 0.0 4000.0 !70
304 C2H+O2=HCO+CO 1.00E+13 0.0 7000.0 !71
305 C2H+O=CO+CH 5.01E+13 0.0 0.0 !72
306 CH2+O2=HCO+OH 1.00E+14 0.0 3700.0 !73
307 CH2+O=CH+OH 1.91E+11 0.7 25000.0 !74
308 CH2+H=CH+H2 2.69E+11 0.7 25700.0 !75
309 CH2+OH=CH+H2O 2.69E+11 0.7 25700.0 !76
310 CH+O2=CO+OH 1.35E+11 0.7 25700.0 !77
311 CH+O2=HCO+O 1.00E+13 0.0 0.0 !78
312 CH3OH+M=CH3+OH+M 3.02E+17 0.0 80000.0 !79
313 CH3OH+OH=CH2OH+H2O 3.98E+12 0.0 1370.0 !80
314 CH3OH+O=CH2OH+OH 1.70E+12 0.0 2290.0 !81
315 CH3OH+H=CH2OH+H2 3.02E+13 0.0 7000.0 !82
316 CH3OH+H=CH3+H2O 5.25E+12 0.0 5340.0 !83
317 CH3OH+CH3=CH2OH+CH4 1.82E+11 0.0 9800.0 !84
318 CH3OH+HO2=CH2OH+H2O2 6.31E+12 0.0 19360.0 !85
319 CH2OH+M=CH2O+H+M 2.51E+13 0.0 29000.0 !86
320 CH2OH+O2=CH2O+HO2 8.31E+11 0.0 0.0 !87
321 C2H2+C2H2=C4H3+H 1.00E+13 0.0 45000.0 !88
322 C4H3+M=C4H2+H+M 1.00E+16 0.0 60000.0 !89
323 C2H2+C2H=C4H2+H 3.98E+13 0.0 0.0 !90
324 C4H2+M=C4H+H+M 3.47E+17 0.0 80000.0 !91
325 C2H3+H=C2H2+H2 2.00E+13 0.0 2500.0 !92
326 C3H8=CH3+C2H5 1.70E+16 0.0 84840.0 !93
327 CH3+C3H8=CH4+IC3H7 1.10E+15 0.0 25140.0 !94
328 CH3+C3H8=CH4+NC3H7 1.10E+15 0.0 25140.0 !95
329 H+C3H8=H2+IC3H7 8.71E+06 2.0 5000.0 !96
330 H+C3H8=H2+NC3H7 5.62E+07 2.0 7700.0 !97
331 IC3H7=H+C3H6 6.31E+13 0.0 36900.0 !98
332 IC3H7=CH3+C2H4 2.00E+10 0.0 29500.0 !99
333 NC3H7=CH3+C2H4 9.55E+13 0.0 31000.0 !100
334 NC3H7=H+C3H6 1.26E+14 0.0 37000.0 !101
335 IC3H7+C3H8=NC3H7+C3H8 3.02E+10 0.0 12900.0 !102
336 C2H3+C3H8=C2H4+IC3H7 1.00E+11 0.0 10400.0 !103
337 C2H3+C3H8=C2H4+NC3H7 1.00E+11 0.0 10400.0 !104
338 C2H5+C3H8=C2H6+IC3H7 1.00E+11 0.0 10400.0 !105
339 C2H5+C3H8=C2H6+NC3H7 1.00E+11 0.0 10400.0 !106
340 C3H8+O=IC3H7+OH 2.81E+13 0.0 5200.0 !107
341 C3H8+O=NC3H7+OH 1.12E+14 0.0 7850.0 !108
342 C3H8+OH=IC3H7+H2O 4.79E+08 1.4 850.0 !109
343 C3H8+OH=NC3H7+H2O 5.75E+08 1.4 850.0 !110
344 C3H8+HO2=IC3H7+H2O2 3.39E+12 0.0 17000.0 !111
345 C3H8+HO2=NC3H7+H2O2 1.12E+13 0.0 19400.0 !112
346 C3H6+O=C2H4+CH2O 6.76E+04 2.6 -1130.0 !113
347 IC3H7+O2=C3H6+HO2 1.00E+12 0.0 5000.0 !114
348 NC3H7+O2=C3H6+HO2 1.00E+12 0.0 5000.0 !115
349 C3H8+O2=IC3H7+HO2 3.98E+13 0.0 47500.0 !116
350 C3H8+O2=NC3H7+HO2 3.98E+13 0.0 47500.0 !117
351 C3H6+OH=C2H5+CH2O 1.00E+12 0.0 0.0 !118
352 C3H6+O=C2H5+HCO 6.76E+04 2.6 -1130.0 !119
353 C3H6+OH=CH3+CH3CHO 1.00E+12 0.0 0.0 !120
354 C3H6+O=CH3+CH3CO 6.67E+04 2.6 -1130.0 !121
355 CH3CHO+H=CH3CO+H2 3.98E+13 0.0 4200.0 !122
356 CH3CHO+OH=CH3CO+H2O 1.00E+13 0.0 0.0 !123
357 CH3CHO+O=CH3CO+OH 5.01E+12 0.0 1790.0 !124
358 CH3CHO+CH3=CH3CO+CH4 1.73E+12 0.0 8440.0 !125
359 CH3CHO+HO2=CH3CO+H2O2 1.70E+12 0.0 10700.0 !126 1.70
360 CH3CHO=CH3+HCO 7.08E+15 0.0 81780.0 !127
361 CH3CHO+O2=CH3CO+HO2 2.00E+13 0.5 42200.0 !128
362 CH3CO+M=CH3+CO+M 4.37E+15 0.0 10500.0 !129
363 C3H6+H=C3H5+H2 5.01E+12 0.0 1500.0 !130
364 C3H6+CH3=C3H5+CH4 1.58E+12 0.0 8800.0 !131
365 C3H6+C2H5=C3H5+C2H6 1.00E+12 0.0 9800.0 !132
366 C3H6+OH=C3H5+H2O 2.00E+11 0.0 3060.0 !133
367 C3H8+C3H5=IC3H7+C3H6 2.00E+11 0.0 16100.0 !134
368 C3H8+C3H5=NC3H7+C3H6 7.94E+11 0.0 20500.0 !135
369 C3H5=C3H4+H 3.98E+13 0.0 70000.0 !136
370 C3H5=C2H2+CH3 2.397E+48 -9.90 8.208E+04
371 C3H5+O2=C3H4+HO2 6.03E+11 0.0 10000.0 !137 10000.
372 PC4H8=C3H5+CH3 1.51E+19 -1.0 73400.0 !138
373 PC4H8=C2H3+C2H5 1.00E+19 -1.0 96770.0 !139
374 PC4H8+O=CH3CHO+C2H4 1.29E+13 0.0 850.0 !140
375 PC4H8+O=CH3CO+C2H5 1.29E+13 0.0 850.0 !141
376 PC4H8+OH=CH3CHO+C2H5 1.00E+11 0.0 0.0 !142
377 PC4H8+OH=CH3CO+C2H6 1.00E+10 0.0 0.0 !143
378 C3H4+O=CH2O+C2H2 1.00E+12 0.0 0.0 !144
379 C3H4+O=HCO+C2H3 1.00E+12 0.0 0.0 !145
380 C3H4+OH=CH2O+C2H3 1.00E+12 0.0 0.0 !146
381 C3H4+OH=HCO+C2H4 1.00E+12 0.0 0.0 !147
382 C3H6=C3H5+H 1.00E+13 0.0 78000.0 !148
383 C2H2+O=HCCO+H 3.55E+04 2.7 1390.0 !149
384 CH2CO+H=CH3+CO 1.10E+13 0.0 3400.0 !150
385 CH2CO+O=HCO+HCO 1.00E+13 0.0 2400.0 !151
386 CH2CO+OH=CH2O+HCO 2.82E+13 0.0 0.0 !152
387 CH2CO+M=CH2+CO+M 2.00E+16 0.0 60000.0 !153
388 CH2CO+O=HCCO+OH 5.01E+13 0.0 8000.0 !154
389 CH2CO+OH=HCCO+H2O 7.59E+12 0.0 3000.0 !155
390 CH2CO+H=HCCO+H2 7.59E+13 0.0 8000.0 !156
391 HCCO+OH=HCO+HCO 1.00E+13 0.0 0.0 !157
392 HCCO+H=CH2+CO 5.01E+13 0.0 0.0 !158
393 HCCO+O=HCO+CO 3.39E+13 0.0 2000.0 !159
394 C3H6=C2H3+CH3 6.31E+15 0.0 85800.0 !160
395 C3H5+H=C3H4+H2 1.00E+13 0.0 0.0 !161
396 C3H5+CH3=C3H4+CH4 1.00E+12 0.0 0.0 !162
397 C2H6+O2=C2H5+HO2 1.00E+13 0.0 51000.0 !163
398 C2H6+HO2=C2H5+H2O2 1.12E+13 0.0 19400.0 !164
399 CH3+C2H3=CH4+C2H2 1.00E+12 0.0 0.0 !165
400 CH3+C2H5=CH4+C2H4 7.94E+11 0.0 0.0 !166
401 C2H5+C3H5=C3H6+C2H4 1.26E+12 0.0 0.0 !167
402 C2H5+C2H5=C2H6+C2H4 5.01E+11 0.0 0.0 !168
403 CH3OH+CH2O=CH3O+CH3O 1.55E+12 0.0 79570.0 !169
404 CH2O+CH3O=CH3OH+HCO 6.03E+11 0.0 3300.0 !170
405 CH4+CH3O=CH3OH+CH3 2.00E+11 0.0 7000.0 !171
406 C2H6+CH3O=CH3OH+C2H5 3.02E+11 0.0 7000.0 !172
407 C3H8+CH3O=CH3OH+IC3H7 3.02E+11 0.0 7000.0 !173
408 C3H8+CH3O=CH3OH+NC3H7 3.02E+11 0.0 7000.0 !174
409 C4H10=C2H5+C2H5 2.00E+16 0.0 81300.0 !175
410 C4H10=NC3H7+CH3 1.00E+17 0.0 85400.0 !176
411 C4H10+O2=PC4H9+HO2 2.51E+13 0.0 49000.0 !177
412 C4H10+O2=SC4H9+HO2 3.98E+13 0.0 47600.0 !178
413 C4H10+H=PC4H9+H2 5.62E+07 2.0 7700.0 !179
414 C4H10+H=SC4H9+H2 1.74E+07 2.0 5000.0 !180
415 C4H10+OH=PC4H9+H2O 8.71E+09 1.1 1810.0 !181
416 C4H10+OH=SC4H9+H2O 2.57E+09 1.3 700.0 !182
417 C4H10+O=PC4H9+OH 1.12E+14 0.0 7850.0 !183
418 C4H10+O=SC4H9+OH 5.62E+13 0.0 5200.0 !184
419 C4H10+CH3=PC4H9+CH4 1.29E+12 0.0 11600.0 !185
420 C4H10+CH3=SC4H9+CH4 7.94E+11 0.0 9500.0 !186
421 C4H10+C2H3=PC4H9+C2H4 1.00E+12 0.0 18000.0 !187
422 C4H10+C2H3=SC4H9+C2H4 7.94E+11 0.0 16800.0 !188
423 C4H10+C2H5=PC4H9+C2H6 1.00E+11 0.0 13400.0 !189
424 C4H10+C2H5=SC4H9+C2H6 1.00E+11 0.0 10400.0 !190
425 C4H10+C3H5=PC4H9+C3H6 7.94E+11 0.0 20500.0 !191
426 C4H10+C3H5=SC4H9+C3H6 3.16E+11 0.0 16400.0 !192
427 C4H10+HO2=PC4H9+H2O2 1.12E+13 0.0 19400.0 !193
428 C4H10+HO2=SC4H9+H2O2 6.76E+12 0.0 17000.0 !194
429 C4H10+CH3O=PC4H9+CH3OH 3.02E+11 0.0 7000.0 !195
430 C4H10+CH3O=SC4H9+CH3OH 6.03E+11 0.0 7000.0 !196
431 PC4H9=C2H5+C2H4 2.51E+13 0.0 28800.0 !197
432 PC4H9=PC4H8+H 1.26E+13 0.0 38600.0 !198
433 PC4H9+O2=PC4H8+HO2 1.00E+12 0.0 2000.0 !199
434 SC4H9=SC4H8+H 5.01E+12 0.0 37900.0 !200
435 SC4H9=PC4H8+H 2.00E+13 0.0 40400.0 !201
436 !SC4H9=C3H6+CH3 2.00E+14 0.0 33200.0 !202
437 SC4H9=C3H6+CH3 2.232E+17 -1.40 30830.0 !202
438 SC4H9+O2=PC4H8+HO2 1.00E+12 0.0 4500.0 !203
439 SC4H9+O2=SC4H8+HO2 2.00E+12 0.0 4250.0 !204
440 PC4H8=IC4H7+H 4.07E+18 -1.0 97350.0 !205
441 SC4H8=IC4H7+H 4.07E+18 -1.0 97350.0 !206
442 PC4H8+H=IC4H7+H2 5.01E+13 0.0 3900.0 !207
443 SC4H8+H=IC4H7+H2 5.01E+13 0.0 3800.0 !208
444 PC4H8+OH=IC4H7+H2O 1.41E+13 0.0 3060.0 !209
445 SC4H8+OH=IC4H7+H2O 2.29E+13 0.0 3060.0 !210
446 PC4H8+CH3=IC4H7+CH4 1.00E+11 0.0 7300.0 !211
447 SC4H8+CH3=IC4H7+CH4 1.00E+11 0.0 8200.0 !212
448 PC4H8+O=C3H6+CH2O 5.01E+12 0.0 0.0 !213
449 SC4H8+O=IC3H7+HCO 6.03E+12 0.0 0.0 !214
450 SC4H8+O=C2H4+CH3CHO 1.00E+12 0.0 0.0 !215
451 PC4H8+OH=NC3H7+CH2O 1.51E+12 0.0 0.0 !216
452 SC4H8+OH=C2H5+CH3CHO 3.02E+12 0.0 0.0 !217
453 IC4H7=C4H6+H 1.20E+14 0.0 49300.0 !218
454 IC4H7=C2H4+C2H3 1.00E+11 0.0 37000.0 !219
455 IC4H7+O2=C4H6+HO2 1.00E+11 0.0 0.0 !220
456 IC4H7+H=C4H6+H2 3.16E+13 0.0 0.0 !221
457 IC4H7+C2H3=C4H6+C2H4 3.98E+12 0.0 0.0 !222
458 IC4H7+C2H5=C4H6+C2H6 3.98E+12 0.0 0.0 !223
459 IC4H7+C2H5=PC4H8+C2H4 5.01E+11 0.0 0.0 !224
460 IC4H7+C2H5=SC4H8+C2H4 5.01E+11 0.0 0.0 !225
461 IC4H7+C3H5=C4H6+C3H6 6.31E+12 0.0 0.0 !226
462 C4H6=C2H3+C2H3 3.98E+19 -1.0 98150.0 !227
463 C4H6+OH=C2H5+CH2CO 1.00E+12 0.0 0.0 !228
464 C4H6+OH=C3H5+CH2O 1.00E+12 0.0 0.0 !229
465 C4H6+OH=C2H3+CH3CHO 1.00E+12 0.0 0.0 !230
466 C4H6+O=C2H4+CH2CO 1.00E+12 0.0 0.0 !231
467 C4H6+O=C3H4+CH2O 1.00E+12 0.0 0.0 !232
468 C2H3+C2H4=C4H6+H 5.01E+11 0.0 7300.0 !233
469 C5H10=CH3+IC4H7 1.00E+19 -1.0 81550.0 !234
470 C5H10+O=PC4H8+CH2O 8.51E+12 0.0 0.0 !235
471 C5H10+O=C3H6+CH3CHO 8.51E+12 0.0 0.0 !236
472 C5H10+OH=PC4H9+CH2O 1.00E+12 0.0 0.0 !237
473 C5H10+OH=NC3H7+CH3CHO 1.00E+12 0.0 0.0 !238
474 C2H5+H=CH3+CH3 3.16E+13 0.0 0.0 !239
475 CH3OH+O2=CH2OH+HO2 3.98E+13 0.0 50900.0 !240
476 C2H4+O2=C2H3+HO2 3.98E+13 0.0 61500.0 !241
477 C2H4+CH3=C2H3+CH4 1.00E+13 0.0 13000.0 !242
478 C3H6+O2=C3H5+HO2 1.00E+14 0.0 39000.0 !243
479 ! forward and backward
480 IC8H18=TC4H9+IC4H9 2.00E+16 0.0 78000.0 !244
481 ! REV /1.00E+12 0.0 0.0 /
482 IC8H18=IC3H7+NEOC5H11 2.00E+16 0.0 78000.0 !245 2.00E+16
483 ! REV /1.00E+12 0.0 0.0 /
484 IC8H18+H=AC8H17+H2 8.51E+07 2.0 7700.0 !246
485 ! REV /1.00E+12 0.0 30000.0 /
486 IC8H18+H=BC8H17+H2 8.91E+07 2.0 5000.0 !247
487 ! REV /1.00E+12 0.0 30000.0 /
488 IC8H18+H=CC8H17+H2 1.26E+13 0.0 7300.0 !248
489 ! REV /1.00E+12 0.0 30000.0 /
490 IC8H18+H=DC8H17+H2 5.62E+07 2.0 7700.0 !249
491 ! REV /1.00E+12 0.0 30000.0 /
492 IC8H18+O=AC8H17+OH 1.51E+13 0.0 7850.0 !250
493 ! REV /1.00E+12 0.0 30000.0 /
494 IC8H18+O=BC8H17+OH 4.82E+13 0.0 5200.0 !251
495 ! REV /1.00E+12 0.0 30000.0 /
496 IC8H18+O=CC8H17+OH 1.00E+13 0.0 3280.0 !252
497 ! REV /1.00E+12 0.0 30000.0 /
498 IC8H18+O=DC8H17+OH 1.00E+13 0.0 7850.0 !253
499 ! REV /1.00E+12 0.0 30000.0 /
500 IC8H18+OH=AC8H17+H2O 1.29E+10 1.1 1810.0 !254
501 ! REV /1.00E+12 0.0 30000.0 /
502 IC8H18+OH=BC8H17+H2O 1.29E+09 1.3 700.0 !255
503 ! REV /1.00E+12 0.0 30000.0 /
504 IC8H18+OH=CC8H17+H2O 1.95E+12 0.0 440.0 !256
505 ! REV /1.00E+12 0.0 30000.0 /
506 IC8H18+OH=DC8H17+H2O 8.71E+09 1.1 1810.0 !257
507 ! REV /1.00E+12 0.0 30000.0 /
508 IC8H18+O2=AC8H17+HO2 3.72E+13 0.0 49000.0 !258
509 ! REV /1.00E+12 0.0 30000.0 /
510 IC8H18+O2=BC8H17+HO2 2.00E+13 0.0 48000.0 !259
511 ! REV /1.00E+12 0.0 30000.0 /
512 IC8H18+O2=CC8H17+HO2 2.00E+12 0.0 46000.0 !260
513 ! REV /1.00E+12 0.0 30000.0 /
514 IC8H18+O2=DC8H17+HO2 2.51E+13 0.0 49000.0 !261
515 ! REV /1.00E+12 0.0 30000.0 /
516 IC8H18+HO2=AC8H17+H2O2 1.70E+13 0.0 19400.0 !262
517 ! REV /1.00E+12 0.0 0.0 /
518 IC8H18+HO2=BC8H17+H2O2 3.39E+12 0.0 17000.0 !263
519 ! REV /1.00E+12 0.0 0.0 /
520 IC8H18+HO2=CC8H17+H2O2 2.02E+12 0.0 14400.0 !264
521 ! REV /1.00E+12 0.0 0.0 /
522 IC8H18+HO2=DC8H17+H2O2 1.12E+13 0.0 19400.0 !265
523 ! REV /1.00E+12 0.0 0.0 /
524 IC8H18+CH3=AC8H17+CH4 1.17E+13 0.0 11600.0 !266
525 ! REV /1.00E+12 0.0 0.0 /
526 IC8H18+CH3=BC8H17+CH4 2.40E+12 0.0 9500.0 !267
527 ! REV /1.00E+12 0.0 0.0 /
528 IC8H18+CH3=CC8H17+CH4 2.00E+12 0.0 7900.0 !268
529 ! REV /1.00E+12 0.0 0.0 /
530 IC8H18+CH3=DC8H17+CH4 7.76E+12 0.0 11600.0 !269
531 ! REV /1.00E+12 0.0 0.0 /
532 AC8H17=AC7H14+CH3 4.00E+13 0.0 31000.0 !270
533 ! REV /6.31E+09 0.0 7000.0 /
534 AC8H17=IC4H8+IC4H9 1.09E+13 0.0 27600.0 !271 1.29
535 ! REV /1.00E+11 0.0 8000.0 /
536 BC8H17=CC7H14+CH3 1.00E+13 0.0 31000.0 !272 1.0
537 ! REV /6.31E+10 0.0 7000.0 /
538 CC8H17=IC4H8+IC4H9 1.01E+13 0.0 30700.0 !273
539 ! REV /1.00E+11 0.0 8000.0 /
540 CC8H17=IC8H16+H 1.00E+13 0.0 38000.0 !274
541 ! REV /1.00E+10 0.0 1500.0 /
542 DC8H17=AC7H14+CH3 1.26E+13 0.0 32800.0 !275
543 ! REV /6.31E+09 0.0 7000.0 /
544 DC8H17=C3H6+NEOC5H11 3.29E+13 0.0 28700.0 !276 1.29
545 ! REV /1.00E+10 0.0 1500.0 /
546 DC8H17=IC8H16+H 3.31E+13 0.0 36000.0 !277
547 ! REV /1.00E+10 0.0 1500.0 /
548 AC8H17+O2=IC8H16+HO2 1.51E+10 0.0 10000.0 !278
549 ! REV /2.00E+11 0.0 20000.0 /
550 BC8H17+O2=IC8H16+HO2 1.00E+10 0.0 10000.0 !279
551 ! REV /2.00E+11 0.0 20000.0 /
552 CC8H17+O2=IC8H16+HO2 1.00E+10 0.0 10000.0 !280
553 ! REV /2.00E+11 0.0 20000.0 /
554 DC8H17+O2=IC8H16+HO2 1.00E+10 0.0 10000.0 !281
555 ! REV /2.00E+11 0.0 20000.0 /
556 IC8H16+O=IC4H8+IC4H7+OH 2.82E+13 0.0 5200.0 !282
557 IC8H16+OH=IC4H8+IC4H7+H2O 1.29E+09 1.3 700.0 !283
558 IC8H16+O=IC7H15+HCO 1.00E+11 0.0 0.0 !284
559 ! REV /1.00E+10 0.0 30000.0 /
560 IC7H15=IC4H8+IC3H7 2.51E+13 0.0 28000.0 !285
561 ! REV /3.98E+10 0.0 6900.0 /
562 IC7H15=AC7H14+H 3.98E+13 0.0 40000.0 !286
563 ! REV /1.58E+13 0.0 1200.0 /
564 IC7H15=TC4H9+C3H6 2.51E+13 0.0 28200.0 !287
565 ! REV /1.20E+11 0.0 8000.0 /
566 IC7H15=CC7H14+H 3.98E+13 0.0 40400.0 !288
567 ! REV /1.58E+13 0.0 1200.0 /
568 AC7H14+H=IC7H13+H2 2.82E+13 0.0 4000.0 !289
569 ! REV /1.00E+12 0.0 14000.0 /
570 CC7H14+H=IC7H13+H2 5.62E+13 0.0 4000.0 !290
571 ! REV /1.00E+12 0.0 14000.0 /
572 AC7H14+O=IC7H13+OH 5.13E+05 2.6 -1100.0 !291
573 ! REV /1.41E+12 0.0 30000.0 /
574 CC7H14+O=IC7H13+OH 5.13E+05 2.6 -1100.0 !292
575 ! REV /1.41E+12 0.0 30000.0 /
576 AC7H14+OH=IC7H13+H2O 1.35E+14 0.0 3100.0 !293
577 ! REV /1.00E+13 0.0 27000.0 /
578 CC7H14+OH=IC7H13+H2O 1.35E+14 0.0 3100.0 !294 14
579 ! REV /1.00E+13 0.0 27000.0 /
580 AC7H14+O=IC6H13+HCO 2.00E+11 0.0 0.0 !295
581 ! REV /1.00E+12 0.0 30000.0 /
582 CC7H14+O=NEOC5H11+CH3CO 1.00E+12 0.0 0.0 !296
583 ! REV /1.00E+12 0.0 30000.0 /
584 AC7H14+OH=IC6H13+CH2O 1.00E+11 0.0 0.0 !297
585 ! REV /5.01E+12 0.0 27000.0 /
586 AC7H14+OH=NEOC5H11+CH3CHO 1.00E+12 0.0 0.0 !298
587 ! REV /1.00E+12 0.0 27000.0 /
588 IC8H16=IC4H7+TC4H9 2.51E+16 0.0 71000.0 !299
589 ! REV /1.00E+13 0.0 0.0 /
590 IC8H16=C6H11+C2H5 2.51E+16 0.0 71000.0 !300
591 ! REV /1.00E+13 0.0 0.0 /
592 AC7H14=IC4H7+IC3H7 5.01E+16 0.0 71000.0 !301
593 ! REV /1.00E+13 0.0 0.0 /
594 AC7H14=TC4H9+C3H5 2.51E+16 0.0 71000.0 !302
595 ! REV /1.00E+13 0.0 0.0 /
596 CC7H14=C6H11+CH3 2.51E+16 0.0 71000.0 !303 16
597 ! REV /1.00E+13 0.0 0.0 /
598 IC8H16+OH=IC7H15+CH2O 1.00E+11 0.0 0.0 !304
599 ! REV /1.00E+12 0.0 0.0 /
600 IC7H13=IC4H8+C3H5 5.01E+13 0.0 30000.0 !305
601 ! REV /1.26E+11 0.0 17000.0 /
602 IC7H13=IC4H7+C3H6 5.01E+13 0.0 30000.0 !306
603 ! REV /1.26E+11 0.0 17000.0 /
604 IC7H13=C6H10+CH3 2.00E+14 0.0 32800.0 !307
605 ! REV /6.46E+11 0.0 9100.0 /
606 IC6H13=IC3H7+C3H6 2.51E+13 0.0 28200.0 !308
607 ! REV /3.98E+10 0.0 6900.0 /
608 IC6H13=TC4H9+C2H4 2.51E+13 0.0 28800.0 !309
609 ! REV /3.98E+10 0.0 6900.0 /
610 IC6H13=IC4H9+C2H4 2.51E+13 0.0 28800.0 !310
611 ! REV /3.98E+10 0.0 6900.0 /
612 C6H11=C3H5+C3H6 2.51E+13 0.0 30000.0 !311
613 ! REV /6.31E+10 0.0 17000.0 /
614 C6H11=C6H10+H 1.26E+14 0.0 49300.0 !312
615 ! REV /7.94E+12 0.0 1200.0 /
616 C6H11+O2=C6H10+HO2 1.00E+11 0.0 0.0 !313
617 ! REV /1.00E+11 0.0 17000.0 /
618 C6H10=C3H5+C3H5 5.07E+15 0.0 72800.0 !314
619 ! REV /6.31E+12 0.0 0.0 /
620 NEOC5H11=IC4H8+CH3 1.00E+11 0.0 26000.0 !315
621 ! REV /1.00E+11 0.0 7200.0 /
622 IC4H10=IC3H7+CH3 2.00E+17 0.0 83400.0 !316
623 ! REV /1.58E+13 0.0 0.0 /
624 IC4H10=TC4H9+H 1.00E+15 0.0 83400.0 !317
625 ! REV /1.00E+11 0.0 0.0 /
626 IC4H10=IC4H9+H 1.00E+15 0.0 83400.0 !318
627 ! REV /1.00E+11 0.0 0.0 /
628 IC4H10+H=TC4H9+H2 1.26E+14 0.0 7300.0 !319
629 ! REV /1.00E+12 0.0 16000.0 /
630 IC4H10+H=IC4H9+H2 1.00E+14 0.0 8400.0 !320
631 ! REV /3.16E+12 0.0 15700.0 /
632 IC4H10+OH=TC4H9+H2O 1.95E+12 0.0 440.0 !321
633 ! REV /3.98E+12 0.0 22000.0 /
634 IC4H10+OH=IC4H9+H2O 4.90E+03 0.0 -700.0 !322
635 ! REV /8.91E+03 3.0 20800.0 /
636 IC4H10+O=TC4H9+OH 1.10E+13 0.0 3280.0 !323
637 ! REV /2.00E+12 0.0 9600.0 /
638 IC4H10+O=IC4H9+OH 3.16E+13 0.0 5760.0 !324
639 ! REV /2.00E+12 0.0 9600.0 /
640 IC4H10+CH3=TC4H9+CH4 1.00E+11 0.0 7900.0 !325
641 ! REV /2.00E+11 0.0 21000.0 /
642 IC4H10+CH3=IC4H9+CH4 8.91E+11 0.0 10340.0 !326
643 ! REV /2.00E+11 0.0 15000.0 /
644 IC4H10+HO2=TC4H9+H2O2 3.16E+12 0.0 14400.0 !327
645 ! REV /3.16E+12 0.0 7400.0 /
646 IC4H10+HO2=IC4H9+H2O2 1.70E+13 0.0 19400.0 !328
647 ! REV /3.16E+12 0.0 7400.0 /
648 IC4H10+O2=TC4H9+HO2 2.00E+12 0.0 46000.0 !329
649 ! REV /2.00E+12 0.0 2000.0 /
650 IC4H10+O2=IC4H9+HO2 3.72E+13 0.0 49000.0 !330
651 ! REV /2.00E+12 0.0 2000.0 /
652 IC4H10+C2H5=TC4H9+C2H6 1.00E+11 0.0 7900.0 !331
653 ! REV /3.02E+11 0.0 21000.0 /
654 IC4H10+C2H5=IC4H9+C2H6 1.51E+12 0.0 10400.0 !332
655 ! REV /3.16E+11 0.0 12300.0 /
656 IC4H9=C3H6+CH3 1.00E+14 0.0 32800.0 !333
657 ! REV /3.16E+11 0.0 9100.0 /
658 IC4H9=IC4H8+H 3.31E+14 0.0 36000.0 !334
659 ! REV /1.00E+13 0.0 1200.0 /
660 TC4H9=IC4H8+H 1.00E+15 0.0 43600.0 !335
661 ! REV /3.16E+13 0.0 1500.0 /
662 TC4H9=C3H6+CH3 1.58E+15 0.0 46300.0 !336
663 ! REV /1.00E+11 0.0 7000.0 /
664 TC4H9+O2=IC4H8+HO2 1.00E+12 0.0 5000.0 !337
665 ! REV /2.00E+11 0.0 17500.0 /
666 IC4H9+O2=IC4H8+HO2 1.00E+12 0.0 5000.0 !338
667 ! REV /2.00E+11 0.0 17500.0 /
668 IC4H8=C3H5+CH3 1.51E+19 -1.0 73400.0 !339
669 ! REV /3.98E+12 0.0 0.0 /
670 IC4H8=IC4H7+H 1.00E+17 0.0 88000.0 !340
671 ! REV /2.00E+13 0.0 0.0 /
672 IC4H8+H=IC4H7+H2 1.00E+13 0.0 3800.0 !341
673 ! REV /3.02E+13 0.0 25000.0 /
674 IC4H8+O=IC4H7+OH 2.51E+05 2.6 -1130.0 !342
675 ! REV /7.08E+11 0.0 29900.0 /
676 IC4H8+OH=IC4H7+H2O 1.91E+12 0.0 1230.0 !343
677 ! REV /4.79E+12 0.0 26470.0 /
678 IC4H8+O=IC3H7+HCO 7.24E+05 2.3 -1050.0 !344
679 ! REV /2.00E+05 2.3 80280.0 /
680 IC4H8+OH=IC3H7+CH2O 1.51E+12 0.0 0.0 !345
681 ! REV /1.95E+13 0.0 13230.0 /
682 IC4H8+CH3=IC4H7+CH4 6.03E+11 0.0 8900.0 !346
683 ! REV /6.03E+11 0.0 29900.0 /
684 IC4H7=C3H4+CH3 1.00E+13 0.0 32600.0 !347
685 ! REV /2.00E+11 0.0 7500.0 /
686 C2H3+O2=CH2O+HCO 3.98E+12 0.0 -250.0 !348
687 ! REV /3.98E+12 0.0 86300.0 /
688 AC8H17=DC8H17 6.03E+11 0.0 14100.0 !349
689 ! REV /8.91E+11 0.0 14200.0 /
690 AC8H17=CC8H17 1.00E+11 0.0 16100.0 !350
691 ! REV /8.91E+11 0.0 21100.0 /
692 NEOC5H11O2 = NEOC5H11+O2 3.472E+26 -3.68 3.604E+4 !351
693 NEOC5H11+NEOC5H11O2=NEOC5H11O+NEOC5H11O 7.000E+12 0.00 -1.000E+03 !352
694 NEOC5H11O2 = NEOC5H10OOH 2.125E+13 0.00 2.440E+04 !353
695 NEOC5H11O2+HO2 = NEOC5H11O2H+O2 1.750E+13 0.00 -3.275E+03 !354
696 NEOC5H11O2+H2O2 = NEOC5H11O2H+HO2 2.400E+12 0.00 1.000E+04 !355
697 NEOC5H11O2+NEOC5H11O2=O2+NEOC5H11O+NEOC5H11O 1.400E+16 -1.61 1.860E+03 !356
698 NEOC5H11O2H = NEOC5H11O+OH 1.500E+16 0.00 4.250E+04 !357
699 NEOC5H11O = CH2O+TC4H9 1.349E+18 -2.34 1.899E+04 !358
700 NEOC5H11+HO2 = NEOC5H11O+OH 1.000E+14 0.00 0.000E+00 !359
701 NEOC5H10OOH = OH+CH2O+IC4H8 3.011E+18 -1.17 1.995E+04 !360
702 NEOC5H11=C3H6+C2H5 3.587E+16 -1.28 3.193E+04 !361
703 AC8H17+HO2=IC6H13+C2H3+H2O2 1.00E+12 0.0 0.0 ! 362
704 BC8H17+HO2=IC6H13+C2H3+H2O2 1.00E+12 0.0 0.0 ! 363
705 CC8H17+HO2=IC6H13+C2H3+H2O2 1.00E+12 0.0 0.0 ! 364
706 DC8H17+HO2=IC6H13+C2H3+H2O2 1.00E+12 0.0 0.0 ! 365
707 IC8H18+C2H3=AC8H17+C2H4 1.00E+12 0.0 0.0 ! 366
708 IC8H18+C2H3=BC8H17+C2H4 1.00E+12 0.0 0.0 ! 367
709 IC8H18+C2H3=CC8H17+C2H4 1.00E+12 0.0 0.0 ! 368
710 IC8H18+C2H3=DC8H17+C2H4 1.00E+12 0.0 0.0 ! 369
711 CC7H14+OH=IC6H13+CH2O 1.00E+12 0.0 0.0 ! 370
712 !
713 AC8H17+O2=R1C8H17OO 2.50E+19 -2.5 0.0 ! 371
714 BC8H17+O2=R1C8H17OO 2.50E+19 -2.5 0.0 ! 372
715 CC8H17+O2=R2C8H17OO 2.50E+19 -2.5 0.0 ! 373
716 DC8H17+O2=R2C8H17OO 2.50E+19 -2.5 0.0 ! 374
717 !
718 R1C8H17OO=C8H16OOH 2.00E+12 0.0 28500.0 ! 375
719 R2C8H17OO=C8H16OOH 3.38E+12 0.0 28500.0 ! 376 ! 1.38
720 C8H16OOH+O2=R1C8H16OOHOO 2.20E+19 -2.5 0.0 ! 377
721 C8H16OOH+O2=R2C8H16OOHOO 2.20E+19 -2.5 0.0 ! 378
722 R1C8H16OOHOO=C8H15O4H2 4.62E+12 0.0 28500.0 ! 379
723 R2C8H16OOHOO=C8H15O4H2 4.00E+12 0.0 28500.0 ! 380
724 C8H15O4H2=OH+C7H14CHO(OOH) 2.00E+11 0.0 7500.0 ! 381
725 C7H14CHO(OOH)=C6H13CO+CH2O+OH 2.05E+15 0.0 4.140E+4 ! 382 ! 2.05
726 C6H13CHO + O2= C6H13CO + HO2 1.00E+10 0.5 4.200E+4 ! 383
727 C6H13CHO + OH= C6H13CO + H2O 1.00E+12 0.0 0.0 ! 384
728 C6H13CHO + H = C6H13CO + H2 4.00E+13 0.0 4.200E+3 ! 385
729 C6H13CHO + O = C6H13CO + OH 5.00E+12 0.0 1.790E+3 ! 386
730 C6H13CHO +HO2= C6H13CO + H2O2 2.80E+12 0.0 1.360E+4 ! 387
731 C6H13CHO +CH3= C6H13CO + CH4 1.70E+11 0.0 8.440E+3 ! 388
732 C6H13CO=CO+IC6H13 1.00E+11 0.0 9.600E+3 ! 389
733 IC6H13=C6H12+H 3.345E+16 -0.9 3.795E+4 ! 390
734 IC6H13=C2H4+PC4H9 2.805E+17 -1.29 3.018E+4 ! 391
735 C6H12+OH=NEOC5H11+CH2O 1.000E+11 0.00 -4.000E+3! 392
736 C6H12+OH=TC4H9+CH3CHO 1.000E+11 0.00 -4.000E+3! 393
737 C6H12=C3H5+IC3H7 1.000E+16 0.00 7.100E+4! 394
738 C6H12+OH=C6H11+H2O 3.000E+13 0.00 1.230E+3! 395
739 C6H12+CH3=C6H11+CH4 1.000E+12 0.00 7.300E+3! 396
740 !
741 N + NO = N2 + O 3.500E+13 0.0 330.0!CGS
742 N + O2 = NO + O 2.650E+12 0.0 6400.0!CGS
743 N + OH = NO + H 7.333E+13 0.0 1120.0!CGS
744 N + CO2 = NO + CO 1.900E+11 0.0 3400.0!CGS
745 N2O + O = N2 + O2 1.400E+12 0.0 10810.0!CGS
746 N2O + O = NO + NO 2.900E+13 0.0 23150.0!CGS
747 N2O + H = N2 + OH 4.400E+14 0.0 18880.0!CGS
748 N2O + OH = N2 + HO2 2.000E+12 0.0 21060.0!CGS
749 N2O + M = N2 + O + M 1.300E+11 0.0 59620.0!CGS
750 NO + HO2 = NO2 + OH 2.110E+12 0.0 -480.0!CGS
751 NO2 + O = NO + O2 3.900E+12 0.0 -240.0!CGS
752 NO2 + H = NO + OH 1.320E+14 0.0 360.0!CGS
753 NO + O +M = NO2 + M 1.060E+20 -1.41 0.0!CGS
754 END