| blob | 4cf7ee2a3a473008990497b05e565ae487dc0280 |
1 !*************************************************************************************!
2 ! !
3 ! DEPARTEMENT DE CHIMIE PHYSIQUE DES REACTIONS !
4 ! ENSIC-CNRS !
5 ! 1 RUE GRANDVILLE, BP 451 !
6 ! 54001 NANCY CEDEX - FRANCE !
7 ! !
8 !*************************************************************************************!
9 ! !
10 ! REACTION DATABASE FOR C0-C2 COMPOUNDS !
11 ! FILE USABLE BY CHEMKIN II (SANDIA) !
12 ! AUTHORS : F. BATTIN-LECLERC AND P. BARBE !
13 ! 17 MARCH 1997 !
14 ! !
15 !*************************************************************************************!
16 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
17 ! !
18 !WARNING : Reaction 347 have 2 temperature ranges !
19 ! !
20 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
21 ELEMENT!
22 H O C N AR
23 END
24 SPECIES
25 N2 AR O2 CH4 C2H6 C2H4 C2H2 CH2O CO CO2 H2 H2O H2O2
26 H C O OH HO2 CH3 CH2 CH2(S) CH C2H5 C2H3 C2H CH3O HCO HCCO CH2CO
27 CH3OH CH2OH CH3CO CH2CHO CH3CHO C2H4O CH3CO3 CH3CO3H CH3O2 CH3O2H C2H5O
28 C2H5O2 C2H4O2H C2H5O2H C2H5OH C3H4 C3H6 C3H8 C4H2 C4H4 C4H6 UC4H8
29 NC4H10 C2H3CHO C2H5CHO CH3OCH3 CH3OOCH3 NC3H7OH HOCH2CH2OH CH3COCH3
30 C2H5COCH3 CH3COCHO CH3COCH2OH CH3COCOCH3
31 END
32 THERMO
33 O 0C 0H 0O 1G 0300.00 5000.00 1000.00 1
34 0.02542060E+02-0.02755062E-03-0.03102803E-07 0.04551067E-10-0.04368052E-14 2
35 0.02923080E+06 0.04920308E+02 0.02946429E+02-0.01638166E-01 0.02421032E-04 3
36 -0.01602843E-07 0.03890696E-11 0.02914764E+06 0.02963995E+02 4
37 CO 0C 1H 0O 1G 0300.00 5000.00 1000.00 1
38 0.03025078E+02 0.01442689E-01-0.05630828E-05 0.01018581E-08-0.06910952E-13 2
39 -0.01426835E+06 0.06108218E+02 0.03262452E+02 0.01511941E-01-0.03881755E-04 3
40 0.05581944E-07-0.02474951E-10-0.01431054E+06 0.04848897E+02 4
41 C 0C 1H 0O 0G 0300.00 5000.00 1000.00 1
42 0.02602087E+02-0.01787081E-02 0.09087041E-06-0.01149933E-09 0.03310844E-14 2
43 0.08542154E+06 0.04195177E+02 0.02498585E+02 0.08085777E-03-0.02697697E-05 3
44 0.03040729E-08-0.01106652E-11 0.08545878E+06 0.04753459E+02 4
45 CH 0C 1H 1O 0G 0300.00 5000.00 1000.00 1
46 0.02196223E+02 0.02340381E-01-0.07058201E-05 0.09007582E-09-0.03855040E-13 2
47 0.07086723E+06 0.09178373E+02 0.03200202E+02 0.02072876E-01-0.05134431E-04 3
48 0.05733890E-07-0.01955533E-10 0.07045259E+06 0.03331588E+02 4
49 CH2 0C 1H 2O 0G 0300.00 5000.00 1000.00 1
50 0.03636408E+02 0.01933057E-01-0.01687016E-05-0.01009899E-08 0.01808256E-12 2
51 0.04534134E+06 0.02156561E+02 0.03762237E+02 0.01159819E-01 0.02489585E-05 3
52 0.08800836E-08-0.07332435E-11 0.04536791E+06 0.01712578E+02 4
53 CH2(S) 0C 1H 2O 0G 0300.00 5000.00 1000.00 1
54 0.03552889E+02 0.02066788E-01-0.01914116E-05-0.01104673E-08 0.02021350E-12 2
55 0.04984975E+06 0.01686570E+02 0.03971265E+02-0.01699089E-02 0.01025369E-04 3
56 0.02492551E-07-0.01981266E-10 0.04989368E+06 0.05753207E+00 4
57 H2 0C 0H 2O 0G 0300.00 5000.00 1000.00 1
58 2.50170E+00 1.78083E-03 -7.80013E-07 1.48437E-10 -1.03401E-14 2
59 -6.86891E+02 1.25553E+00 3.43853E+00 1.44314E-04 -1.08191E-07 3
60 2.16839E-10 -5.54307E-14 -1.03749E+03 -3.92682E+00 4
61 H2O 0C 0H 2O 1G 0300.00 5000.00 1000.00 1
62 2.68039E+00 3.09623E-03 -9.31393E-07 1.34865E-10 -7.70007E-15 2
63 -2.99236E+04 6.77857E+00 3.97559E+00 -4.41834E-04 2.45596E-06 3
64 -1.24431E-09 2.26702E-13 -3.02810E+04 7.71523E-02 4
65 O2 0C 0H 0O 2G 0300.00 5000.00 1000.00 1
66 3.19345E+00 1.56657E-03 -6.90657E-07 1.32082E-10 -9.23577E-15 2
67 -1.05228E+03 5.96618E+00 3.08809E+00 1.60342E-03 -5.34550E-07 3
68 2.80793E-11 2.98899E-15 -9.93828E+02 6.61069E+00 4
69 H2O2 0C 0H 2O 2G 0300.00 5000.00 1000.00 1
70 5.20269E+00 3.07820E-03 -8.47786E-07 1.14867E-10 -6.24436E-15 2
71 -1.81737E+04 -2.81106E+00 2.79724E+00 9.30806E-03 -3.27081E-06 3
72 -3.91853E-09 2.63341E-12 -1.75951E+04 9.47142E+00 4
73 CH4 0C 1H 4O 0G 0300.00 5000.00 1000.00 1
74 1.61991E+00 1.03080E-02 -3.71228E-06 6.14185E-10 -3.86748E-14 2
75 -1.00748E+04 9.98982E+00 2.31954E+00 6.54738E-03 -7.48051E-07 3
76 2.60912E-09 -1.95537E-12 -9.99764E+03 7.24965E+00 4
77 CH2O 0C 1H 2O 1 G 0300.00 5000.00 1000.00 1
78 2.91430E+00 6.64407E-03 -2.45282E-06 4.12836E-10 -2.63040E-14 2
79 -1.52827E+04 7.43680E+00 2.41049E+00 7.02041E-03 -4.22947E-06 3
80 4.40116E-09 -2.12647E-12 -1.49519E+04 1.06246E+01 4
81 CH3OH 0C 1H 4O 1 G 0300.00 5000.00 1000.00 1
82 3.27626E+00 1.05432E-02 -3.54918E-06 5.58743E-10 -3.39236E-14 2
83 -2.58917E+04 6.60656E+00 1.85957E+00 1.25312E-02 -4.47107E-06 3
84 1.73293E-09 -8.71066E-13 -2.52879E+04 1.46835E+01 4
85 CO2 0C 1H 0O 2 G 0300.00 5000.00 1000.00 1
86 2.73827E+00 6.09914E-03 -2.81755E-06 5.57282E-10 -3.99470E-14 2
87 -4.82637E+04 8.67355E+00 2.67844E+00 6.31159E-03 1.20975E-06 3
88 -7.46647E-09 3.79399E-12 -4.84134E+04 8.57691E+00 4
89 CH3O2H 0C 1H 4O 2 G 0300.00 5000.00 1000.00 1
90 6.37596E+00 1.07372E-02 -3.68666E-06 5.88827E-10 -3.61266E-14 2
91 -1.84341E+04 -6.12840E+00 3.09218E+00 1.80223E-02 -7.11862E-06 3
92 -1.47978E-09 1.45517E-12 -1.74300E+04 1.13028E+01 4
93 C2H2 0C 2H 2O 0 G 0300.00 5000.00 1000.00 1
94 3.00338E+00 7.58476E-03 -3.11008E-06 5.64312E-10 -3.79570E-14 2
95 2.62468E+04 5.29247E+00 2.54593E+00 1.14007E-02 -7.07123E-06 3
96 -6.00363E-10 1.71894E-12 2.60564E+04 6.56609E+00 4
97 C2H4 0C 2H 4O 0 G 0300.00 5000.00 1000.00 1
98 3.99720E-01 1.67299E-02 -6.80909E-06 1.22922E-09 -8.23928E-14 2
99 5.63749E+03 1.97729E+01 1.31810E+00 1.44460E-02 -2.74335E-06 3
100 -3.10835E-09 1.52772E-12 5.26817E+03 1.47233E+01 4
101 C2H6 0C 2H 6O 0 G 0300.00 5000.00 1000.00 1
102 3.94109E-01 2.11928E-02 -8.08560E-06 1.39339E-09 -9.03005E-14 2
103 -1.10714E+04 1.96366E+01 9.75454E-01 1.88110E-02 -1.46453E-06 3
104 -6.38247E-09 2.84067E-12 -1.13111E+04 1.65514E+01 4
105 CH2CO 0C 2H 2O 1 G 0300.00 5000.00 1000.00 1
106 5.35267E+00 6.94209E-03 -2.50061E-06 4.13231E-10 -2.59692E-14 2
107 -7.81007E+03 -3.80283E+00 2.99539E+00 1.23540E-02 -4.06499E-06 3
108 -3.34608E-09 2.24152E-12 -7.15097E+03 8.53716E+00 4
109 CH3CHO 0C 2H 4O 1 G 0300.00 5000.00 1000.00 1
110 0.05869E+02 0.10794E-01 -0.03646E-04 0.05413E-08 -0.02897E-12 2
111 -0.02265E+06 -0.06013E+02 -5.97842E+01 4.89059E-01 -1.27143E-03 3
112 1.42135E-06 -5.67547E-10 -1.52478E+04 2.71669E+02 4
113 !coefficients de CHEMKIN a haute temperature et THERGAS a basse temperature!
114 C2H5OH 0C 2H 6O 1 G 0300.00 5000.00 1000.00 1
115 5.62516E+00 1.59916E-02 -5.36799E-06 8.43422E-10 -5.11406E-14 2
116 -3.10498E+04 -3.61961E+00 9.39858E-01 2.61811E-02 -9.25134E-06 3
117 -3.45825E-09 2.62098E-12 -2.96238E+04 2.12634E+01 4
118 CH3OHCO 0C 2H 4O 2 G 0300.00 5000.00 1000.00 1
119 6.49235E+00 1.37029E-02 -4.83813E-06 7.88065E-10 -4.90158E-14 2
120 -5.52426E+04 -7.87675E+00 1.30241E+00 2.57455E-02 -9.76857E-06 3
121 -4.88314E-09 3.69546E-12 -5.37616E+04 1.93510E+01 4
122 C2H5O2 0C 2H 5O 2 G 0300.00 5000.00 1000.00 1
123 .11325327E+02 .82862452E-02 -.18620285E-05 .21820865E-09 -.10786769E-13 2
124 -.69868408E+04 -.32948765E+02 .67205608E+00 .36275715E-01 -.30000807E-04 3
125 .13847888E-07 -.28458303E-11 -.37891184E+04 .22886873E+02 4
126 C2H5O2H 0C 2H 6O 2 G 0300.00 5000.00 1000.00 1
127 8.86549E+00 1.46991E-02 -4.66630E-06 7.03129E-10 -4.13262E-14 2
128 -2.34663E+04 -1.74646E+01 2.03266E+00 3.20310E-02 -1.79773E-05 3
129 2.38766E-09 1.07206E-12 -2.15063E+04 1.82187E+01 4
130 CH3CO3 0C 2H 3O 3 G 0300.00 5000.00 1000.00 1
131 .11077361E+02 .65959496E-02 -.14068501E-05 .15560973E-09 -.72247150E-14 2
132 -.19400094E+05 -.29337929E+02 -.12573762E+01 .40412389E-01 -.36648889E-04 3
133 .17055577E-07 -.31536631E-11 -.15821930E+05 .34825279E+02 4
134 CH3CO3H 0C 2H 4O 3 G 0300.00 5000.00 1000.00 1
135 7.87651E+00 1.42400E-02 -4.81648E-06 7.62396E-10 -4.65514E-14 2
136 -4.39851E+04 -9.71105E+00 2.19569E-01 3.53131E-02 -2.24276E-05 3
137 3.22888E-09 1.67243E-12 -4.19548E+04 2.96617E+01 4
138 C2H5CHO 0C 3H 6O 1 G 0300.00 5000.00 1000.00 1
139 7.00923E+00 1.80165E-02 -6.23156E-06 1.00111E-09 -6.17084E-14 2
140 -2.56908E+04 -9.54021E+00 2.78861E+00 2.57043E-02 -6.85618E-06 3
141 -4.35448E-09 2.43940E-12 -2.42672E+04 1.33993E+01 4
142 C2H4O 0C 2H 4O 1 G 0300.00 5000.00 1000.00 1
143 4.47758E+00 1.35869E-02 -5.00744E-06 8.41742E-10 -5.35809E-14 2
144 -8.75035E+03 -1.34619E+00 -9.24908E-01 2.64513E-02 -1.34725E-05 3
145 3.74058E-10 1.40310E-12 -7.13279E+03 2.71327E+01 4
146 H 0C 0H 1O 0 G 0300.00 5000.00 1000.00 1
147 2.51730E+00 -2.10523E-06 1.23733E-09 -2.92977E-13 2.40914E-17 2
148 2.54640E+04 -5.54129E-01 2.52530E+00 -6.39368E-05 1.54095E-07 3
149 -1.54230E-10 5.47044E-14 2.54635E+04 -5.86360E-01 4
150 OH 0C 0H 1O 1 G 0300.00 5000.00 1000.00 1
151 2.16403E+00 2.49996E-03 -1.20620E-06 2.46260E-10 -1.80763E-14 2
152 4.19496E+03 9.54587E+00 3.67780E+00 -2.14153E-04 5.70231E-08 3
153 1.71404E-10 -1.84629E-14 3.63597E+03 1.19670E+00 4
154 HO2 0C 0H 1O 2 G 0300.00 5000.00 1000.00 1
155 4.72022E+00 1.38622E-03 -1.68457E-07 1.05843E-11 -2.40717E-16 2
156 -2.41430E+02 -6.85165E-01 1.84854E+00 1.07988E-02 -8.54635E-06 3
157 4.18415E-10 1.44074E-12 3.26446E+02 1.34319E+01 4
158 CH3 0C 1H 3O 0 G 0300.00 5000.00 1000.00 1
159 1.02702E+00 9.49641E-03 -3.82860E-06 6.86498E-10 -4.57900E-14 2
160 1.67624E+04 1.53006E+01 2.94974E+00 5.11940E-03 -8.75334E-07 3
161 6.64224E-10 -5.42393E-13 1.61486E+04 5.05087E+00 4
162 HCO 0C 1H 1O 1 G 0300.00 5000.00 1000.00 1
163 4.39893E+00 1.53560E-03 -1.99211E-07 1.43007E-11 -4.51357E-16 2
164 1.46590E+03 1.23461E+00 2.96884E+00 5.16190E-03 -6.79642E-06 3
165 7.15025E-09 -2.73201E-12 2.04422E+03 9.08982E+00 4
166 CH2OH 0C 1H 3O 1 G 0300.00 5000.00 1000.00 1
167 6.72615E+00 2.58400E-03 -3.43695E-07 2.58671E-11 -8.92075E-16 2
168 -5.93852E+03 -1.07401E+01 1.75181E+00 1.63562E-02 -2.19316E-05 3
169 2.01041E-08 -7.28744E-12 -4.21651E+03 1.57722E+01 4
170 CH3O 0C 1H 3O 1 G 0300.00 5000.00 1000.00 1
171 6.45804E+00 3.22182E-03 -5.09801E-07 4.41966E-11 -1.69366E-15 2
172 -8.23233E+02 -1.22475E+01 2.40571E-01 1.87747E-02 -2.13180E-05 3
173 1.81151E-08 -6.61230E-12 1.35827E+03 2.11815E+01 4
174 CH2O2H 0C 1H 3O 2 G 0300.00 5000.00 1000.00 1
175 1.01575E+01 2.21923E-03 -2.71559E-07 1.97488E-11 -7.06327E-16 2
176 9.23978E+02 -2.52115E+01 1.82419E+00 3.00692E-02 -4.32332E-05 3
177 3.42492E-08 -1.07827E-11 3.25193E+03 1.72697E+01 4
178 CH3O2 0C 1H 3O 2 G 0300.00 5000.00 1000.00 1
179 9.76413E+00 3.04276E-03 -4.67054E-07 3.87833E-11 -1.39425E-15 2
180 -1.91174E+03 -2.69241E+01 1.48937E+00 2.40776E-02 -2.38748E-05 3
181 1.51535E-08 -4.47557E-12 7.64340E+02 1.69852E+01 4
182 C2H 0C 2H 1O 0 G 0300.00 5000.00 1000.00 1
183 6.02264E+00 8.77475E-04 -8.67941E-08 3.67081E-12 1.93550E-17 2
184 6.20557E+04 -9.36163E+00 1.89603E+00 1.61116E-02 -1.74770E-05 3
185 5.93645E-09 3.50654E-13 6.28086E+04 1.05397E+01 4
186 C2H3 0C 2H 3O 0 G 0300.00 5000.00 1000.00 1
187 3.27253E+00 8.18550E-03 -2.26647E-06 3.09596E-10 -1.70006E-14 2
188 3.39897E+04 7.07663E+00 2.29441E+00 1.02693E-02 -3.45618E-06 3
189 3.18937E-10 6.99872E-14 3.43028E+04 1.23194E+01 4
190 C2H5 0C 2H 5O 0 G 0300.00 5000.00 1000.00 1
191 3.50261E+00 1.26143E-02 -3.65730E-06 5.16642E-10 -2.90469E-14 2
192 1.24032E+04 5.44236E+00 5.46580E-01 2.04368E-02 -1.16694E-05 3
193 4.82541E-09 -1.19281E-12 1.32743E+04 2.09001E+01 4
194 HCCO OC 2H 1O 1 G 0300.00 5000.00 1000.00 1
195 0.06758073E+02 0.02000400E-01-0.02027607E-05-0.01041132E-08 0.01965165E-12 2
196 0.01901513E+06-0.09071262E+02 0.05047965E+02 0.04453478E-01 0.02268283E-05 3
197 -0.01482095E-07 0.02250742E-11 0.01965892E+06 0.04818439E+01 4
198 CH2CHO 0C 2H 3O 1 G 0300.00 5000.00 1000.00 1
199 0.05976E+02 0.08131E-01 -0.02744E-04 0.04070E-08 -0.02176E-12 2
200 0.04903E+04 -0.05045E+02 -5.49040E+01 4.51253E-01 -1.17037E-03 3
201 1.30375E-06 -5.19201E-10 7.54530E+03 2.51103E+02 4
202 !coefficients de CHEMKIN a haute temperature et THERGAS a basse temperature!
203 CH3CO 0C 2H 3O 1 G 0300.00 5000.00 1000.00 1
204 5.17844E+00 8.15192E-03 -2.10111E-06 2.71446E-10 -1.42897E-14 2
205 -5.94327E+03 -2.17361E-01 3.78076E+00 5.97858E-03 8.17510E-06 3
206 -8.25542E-09 1.81654E-12 -5.11877E+03 8.85731E+00 4
207 C2H4OHP 0C 2H 5O 1 G 0300.00 5000.00 1000.00 1
208 9.39205E+00 7.10512E-03 -1.46197E-06 1.56731E-10 -7.08032E-15 2
209 -7.55283E+03 -2.24447E+01 -1.60895E-01 3.69785E-02 -4.20936E-05 3
210 2.86827E-08 -8.21586E-12 -4.88243E+03 2.65306E+01 4
211 C2H4OHS 0C 2H 5O 1 G 0300.00 5000.00 1000.00 1
212 8.62875E+00 7.87632E-03 -1.71370E-06 1.94535E-10 -9.32452E-15 2
213 -1.13847E+04 -1.81140E+01 1.77720E+00 2.41611E-02 -1.64825E-05 3
214 6.75643E-09 -1.21081E-12 -9.15277E+03 1.84275E+01 4
215 C2H5O 0C 2H 5O 1 G 0300.00 5000.00 1000.00 1
216 8.79327E+00 8.37917E-03 -1.93446E-06 2.29371E-10 -1.13191E-14 2
217 -6.03107E+03 -2.23324E+01 -6.00093E-01 3.17670E-02 -2.42586E-05 3
218 1.08137E-08 -2.26856E-12 -3.08491E+03 2.73650E+01 4
219 CH2OHCO 0C 2H 3O 2 G 0300.00 5000.00 1000.00 1
220 1.10189E+01 4.53439E-03 -8.65589E-07 8.88128E-11 -3.95962E-15 2
221 -3.35939E+04 -3.29218E+01 1.28829E-01 3.46503E-02 -3.43482E-05 3
222 1.86734E-08 -4.32868E-12 -3.03821E+04 2.38157E+01 4
223 C2H4O2H 0C 2H 5O 2 G 0300.00 5000.00 1000.00 1
224 1.19639E+01 6.99398E-03 -1.39221E-06 1.46301E-10 -6.56315E-15 2
225 -1.64410E+02 -3.25611E+01 9.12805E-01 4.29306E-02 -5.09705E-05 3
226 3.45647E-08 -9.73011E-12 2.78459E+03 2.35878E+01 4
227 C3H4 0C 3H 4 G 0300.00 5000.00 1000.00 1
228 .54693928E+01 .12151568E-01 -.43443515E-05 .71433565E-09 -.44747395E-13 2
229 .19852377E+05 -.54474335E+01 .22271647E+01 .19307628E-01 -.70081351E-05 3
230 -.27282026E-08 .21393857E-11 .20828311E+05 .11726395E+02 4
231 C3H6 0C 3H 6 G 0300.00 5000.00 1000.00 1
232 .50026493E+01 .17638993E-01 -.62266308E-05 .10151433E-08 -.63235977E-13 2
233 -.27056152E+03 -.24723434E+01 .55598283E+00 .27091531E-01 -.10752104E-04 3
234 -.97539210E-09 .14314721E-11 .11570190E+04 .21344173E+02 4
235 C3H8 0C 3H 8 G 0300.00 5000.00 1000.00 1
236 .54638848E+01 .22160569E-01 -.77296281E-05 .12495476E-08 -.77377605E-13 2
237 -.15629374E+05 -.62309151E+01 -.31831896E+00 .34746405E-01 -.12885018E-04 3
238 -.35057037E-08 .30165358E-11 -.13851594E+05 .24514595E+02 4
239 C4H2 0C 4H 2 G 0300.00 5000.00 1000.00 1
240 .82167263E+01 .75165699E-02 -.28333620E-05 .48376197E-09 -.31125981E-13 2
241 .53914359E+05 -.19323837E+02 .45411844E+01 .16946664E-01 -.58588685E-05 3
242 -.70578716E-08 .47811238E-11 .54806316E+05-.54062080E+00 4
243 C4H4 0C 4H 4 G 0300.00 5000.00 1000.00 1
244 .74600129E+01 .13268776E-01 -.48047741E-05 .79804358E-09 -.50392033E-13 2
245 .33450691E+05 -.13594856E+02 .18884374E+01 .27130427E-01 -.11816426E-04 3
246 -.46318047E-08 .40962659E-11 .34956789E+05 .15309685E+02 4
247 C4H6 0C 4H 6 G 0300.00 5000.00 1000.00 1
248 .80518456E+01 .17540889E-01 -.61760657E-05 .10047656E-08 -.62479542E-13 2
249 .95697949E+04 -.18611710E+02 -.29224473E+00 .38725201E-01 -.16706719E-04 3
250 -.81080902E-08 .67421541E-11 .11749236E+05 .24444702E+02 4
251 UC4H8 0C 4H 8 G 0300.00 5000.00 1000.00 1
252 .12072002E+02 .17483519E-01 -.47358262E-05 .63614963E-09 -.34500855E-13 2
253 .34200605E+04 -.37559532E+02 -.86302972E+00 .53421453E-01 -.45552202E-04 3
254 .24475971E-07 -.60568863E-11 .72361128E+04 .29821739E+02 4
255 NC4H10 0C 4H 10 G 0300.00 5000.00 1000.00 1
256 .77133317E+01 .27767614E-01 -.96156327E-05 .15456056E-08 -.95281279E-13 2
257 -.19425240E+05 -.16262451E+02 .59979584E-01 .44005580E-01 -.15532127E-04 3
258 -.52806315E-08 .40442116E-11 -.17040045E+05 .24565849E+02 4
259 C2H3CHO 0C 3H 4O 1 G 0300.00 5000.00 1000.00 1
260 .12311886E+02 .12961588E-01 -.61774654E-05 .12501405E-08 -.91169971E-13 2
261 -.15218951E+05 -.42303177E+02 .93137437E+00 .35574418E-01 -.33347264E-04 3
262 .28398034E-07 -.11395644E-10 -.10614329E+05 .21059492E+02 4
263 C2H5CHO 0C 3H 6O 1 G 0300.00 5000.00 1000.00 1
264 .70107722E+01 .18013448E-01 -.62295217E-05 .10005839E-08 -.61661722E-13 2
265 -.25691457E+05 -.95488281E+01 .28277023E+01 .25430365E-01 -.61913220E-05 3
266 -.50245177E-08 .26785609E-11 -.24271348E+05 .13234089E+02 4
267 CH3OCH3 0C 2H 6O 1 G 0300.00 5000.00 1000.00 1
268 .48582563E+01 .17240373E-01 -.59518788E-05 .95503494E-09 -.58825550E-13 2
269 -.24755031E+05 -.13852615E+01 .20368140E+01 .21299208E-01 -.51627690E-05 3
270 -.20305686E-08 .88250571E-12 -.23667908E+05 .14411049E+02 4
271 CH3OOCH3 0C 2H 6O 2 G 0300.00 5000.00 1000.00 1
272 .83690472E+01 .14833436E-01 -.46565133E-05 .69703088E-09 -.40832690E-13 2
273 -.18533230E+05 -.15578167E+02 .30638237E+01 .28614834E-01 -.24377980E-04 3
274 .19129631E-07 -.72663607E-11 -.16707926E+05 .12810528E+02 4
275 NC3H7OH 0C 3H 8O 1 G 0300.00 5000.00 1000.00 1
276 .71674681E+01 .22466624E-01 -.76292372E-05 .12097231E-08 -.73884075E-13 2
277 -.34686773E+05 -.95393562E+01 .12350693E+01 .34453284E-01 -.10589133E-04 3
278 -.54856804E-08 .35146994E-11 -.32804938E+05 .22268148E+02 4
279 HOCH2CH2OH 0C 2H 6O 2 G 0300.00 5000.00 1000.00 1
280 .94605846E+01 .00000000E+00 .00000000E+00 .00000000E+00 .00000000E+00 2
281 -.50706793E+05 -.15255096E+02 .94605846E+01 .00000000E+00 .00000000E+00 3
282 .00000000E+00 .00000000E+00 -.50706793E+05 -.15255096E+02 4
283 CH3COCH3 0C 3H 6O 1 G 0300.00 5000.00 1000.00 1
284 .59975996E+01 .19679097E-01 -.70154574E-05 .11513579E-08 -.72035416E-13 2
285 -.29362656E+05 -.55254784E+01 .14577827E+01 .28063715E-01 -.90218518E-05 3
286 -.24536706E-08 .16730232E-11 -.27794104E+05 .19218454E+02 4
287 C2H5COCH3 0C 4H 8O 1 G 0300.00 5000.00 1000.00 1
288 .87888947E+01 .24174010E-01 -.83446403E-05 .13376648E-08 -.82271822E-13 2
289 -.33018367E+05 -.17819489E+02 .27316518E+01 .35815358E-01 -.11085016E-04 3
290 -.44516226E-08 .28435873E-11 -.31006189E+05 .14949604E+02 4
291 CH3COCHO 0C 3H 4O 2 G 0300.00 5000.00 1000.00 1
292 .89256687E+01 .13401341E-01 -.45334914E-05 .71644690E-09 -.43629983E-13 2
293 -.36391773E+05 -.23305817E+02 .36583393E+01 .17818777E-01 .12335082E-04 3
294 -.25004601E-07 .96781515E-11 -.34470117E+05 .63711262E+01 4
295 CH3COCH2OH 0C 3H 6O 2 G 0300.00 5000.00 1000.00 1
296 .18422323E+02 .15847507E-02 .22200786E-05 -.75747592E-09 .68857395E-13 2
297 -.52232094E+05 -.69094208E+02 .29494412E+01 .29086677E-01 -.10206494E-04 3
298 -.26419480E-09 .92838457E-13 -.46496102E+05 .16329613E+02 4
299 CH3COCOCH3 0C 4H 6O 2 G 0300.00 5000.00 1000.00 1
300 .10088178E+02 .20814884E-01 -.72801195E-05 .11796960E-08 -.73203515E-13 2
301 -.44156449E+05 -.21426254E+02 .20524170E+01 .39215170E-01 -.16422011E-04 3
302 -.39475361E-08 .38206075E-11 -.41770484E+05 .20989098E+02 4
303 END
304 REACTIONS
305 !REACTIONS DE LA MATRICE O(0)C(y)H(z)!
306 !REACTIONS DE H2!
307 H2+M=H+H+M 2.2E14 0. 95.7E3 !(1,-1)<BAULCH94>
308 !REACTIONS DE C
309 C+H2=CH+H 4.0E14 0. 23.3E3 !(2,-2)<DEAN91>
310 !REACTIONS DE CH2(S)
311 CH2(S)+M=CH2+M 6.0E12 0. 0. !(3,-3)<BAULCH94average>
312 CH2(S)+H=CH+H2 3.0E13 0. 0. !(4,-4)<TSANG86>
313 !REACTIONS DE CH2
314 CH2+H=CH+H2 6.0E12 0. -1.8E3 !(5,-5)<BAULCH94>
315 CH2+C=C2H+H 5.0E13 0. 0. !(6,-6)<RANZI94>
316 CH2+CH2=>C2H2+H+H 1.2E14 0. 0.8E3 !(7) <BAULCH94>
317 !REACTIONS DE CH3
318 CH3+M=CH2+H+M 1.0E16 0. 90.4E3 !(8,-8)<BAULCH94>
319 CH3+H=CH2(S)+H2 6.0E13 0. 15.0E3 !(9,-9)<BAULCH94>
320 CH3+CH=C2H3+H 3.0E13 0. 0. !(10,-10)<DAGAUT91>
321 CH3+CH2(S)=C2H4+H 1.8E13 0. 0. !(11,-11)<TSANG86>
322 CH3+CH2=C2H4+H 4.2E13 0. 0. !(12,-12)<BAULCH94>
323 CH3+C=C2H2+H 5.0E13 0. 0. !(13,-13)<RANZI94>
324 CH3+CH3(+M)=C2H6(+M) 3.6E13 0. 0. !(14,-14)<BAULCH94>
325 LOW /1.3E41 -7. 3.0E3/
326 !-------------------------------------------------------------------------------------!
327 !fittings (20/12/94, F. Battin-Leclerc) on CH4-02 system in PSR between 500 and 1300C!
328 !CH3+CH3(+M)=C2H6(+M) 1.5E14 0. 0.! !(14,-14)<BAULCH94*4>!
329 ! LOW /5.2E41 -7. 3.0E3/!\r
330 !-------------------------------------------------------------------------------------!
331 TROE /0.62 73. 1180./
332 CH3+CH3=C2H5+H 3.0E13 0. 13.5E3 !(15,-15)<BAULCH94>
333 !-------------------------------------------------------------------------------------!
334 !fittings (20/12/94, F. Battin-Leclerc) on CH4-02 system in PSR between 500 and 1300C!
335 !CH3+CH3=C2H5+H 1.5E14 0. 13.5E3! !(15,-15)<BAULCH94*5>!
336 !-------------------------------------------------------------------------------------!
337 CH3+CH3=C2H4+H2 2.1E14 0. 19.3E3 !(16,-16)<FRANK86NIST>!
338 !REACTIONS DE CH4
339 CH4(+M)=CH3+H(+M) 2.4E16 0. 104.5E3 !(17,-17)<BAULCH94>
340 LOW /4.5E17 0. 90.5E3/
341 TROE /1. 1. 1350. 7830./
342 CH4+H=CH3+H2 1.3E4 3. 8.0E3 !(18,-18)<BAULCH94>
343 CH4+CH=C2H4+H 3.0E13 0. -0.4E3 !(19,-19)<DAGAUT91BAULCH94>
344 CH4+CH2(S)=CH3+CH3 4.2E13 0. 0. !(20,-20)<TSANG86>
345 !REACTIONS DE C2H
346 C2H+CH2(S)=C2H2+CH 1.8E13 0. 0. !(21,-21)<TSANG86>
347 C2H+CH2=C2H2+CH 1.8E13 0. 0. !(22,-22)<TSANG86>
348 C2H+CH4=C2H2+CH3 1.2E12 0. 0. !(23,-23)<BAULCH94>
349 C2H+C2H=C4H2 1.8E13 0. 0. !(24,-24)<TSANG86>
350 !REACTIONS DE C2H2
351 C2H2=C2H+H 2.6E15 0. 123.9E3 !(25,-25)<TSANG86>
352 C2H2+H=C2H+H2 6.6E13 0. 27.7E3 !(26,-26)<BAULCH94>
353 C2H2+CH2(S)=C3H4 1.7E14 0. 0. !(27,-27)<BAULCH94>
354 C2H2+CH2=C3H4 3.5E12 0. 0. !(28,-28)<TSANG86>
355 C2H2+CH3=C3H4+H 6.7E19 -2.08 31.6E3 !(29,-29)<DEAN87>
356 C2H2+C2H=C4H2+H 9.0E13 0. 0. !(30,-30)<BAULCH94>
357 C2H2+C2H2=C4H4 5.5E12 0. 37.0E3 !(31,-31)<DURAN89>
358 !REACTIONS DE C2H3
359 C2H3(+M)=C2H2+H(+M) 2.0E14 0. 40.0E3 !(32,-32)<BAULCH94>
360 LOW /4.1E41 -7.5 45.3E3/
361 TROE /0.35 1. 1.0E8/
362 C2H3+H=C2H2+H2 1.2E13 0. 0. !(33,-33)<BAULCH94>
363 C2H3+CH2(S)=C2H2+CH3 1.8E13 0. 0. !(34,-34)<TSANG86>
364 C2H3+CH2=C2H2+CH3 1.8E13 0. 0. !(35,-35)<TSANG86>
365 C2H3+CH3=CH4+C2H2 3.9E11 0. 0. !(36,-36)<TSANG86>
366 C2H3+CH3=C3H6 2.5E13 0. 0. !(37,-37)<TSANG86>
367 C2H3+C2H=C4H4 1.8E13 0. 0. !(38,-38)<TSANG86>
368 C2H3+C2H=2C2H2 9.6E11 0. 0. !(39,-39)<TSANG86>
369 C2H3+C2H2=C4H4+H 2.0E12 0. 5.0E3 !(40,-40)<FAHR89>
370 C2H3+C2H3=C4H6 9.6E12 0. 0. !(41,-41)<TSANG86>
371 C2H3+C2H3=C2H4+C2H2 9.6E11 0. 0. !(42,-42)<TSANG86>
372 !REACTIONS DE C2H4
373 C2H4+M=C2H2+H2+M 3.5E16 0. 71.3E3 !(43,-43)<BAULCH94>
374 C2H4+M=C2H3+H+M 2.6E17 0. 96.2E3 !(44,-44)<BAULCH94>
375 C2H4+H=C2H3+H2 5.4E14 0 14.8E3 !(45,-45)<BAULCH94>
376 C2H4+CH=C3H4+H 1.3E14 0. -0.3E3 !(46,-46)<BAULCH94>
377 C2H4+CH2(S)=C3H6 9.6E13 0. 0. !(47,-47)<BAULCH94>
378 C2H4+CH2=C3H6 3.2E12 0. 5.1E3 !(48,-48)<BAULCH94>
379 C2H4+CH3=CH4+C2H3 4.1E12 0. 11.1E3 !(49,-49)<BAULCH94>
380 C2H4+C2H=C4H4+H 1.2E13 0. 0. !(50,-50)<TSANG86>
381 C2H4+C2H3=C4H6+H 5.0E11 0. 7.3E3 !(51,-51)<TSANG86>
382 !REACTIONS DE C2H5
383 C2H5(+M)=C2H4+H(+M) 8.2E13 0. 40.0E3 !(52,-52)<BAULCH94>
384 LOW /1.0E18 0. 33.3E3/
385 TROE /0.75 97. 1379./
386 C2H5+H=C2H4+H2 1.8E12 0. 0. !(53,-53)<TSANG86>
387 C2H5+H=C2H6 3.6E13 0. 0. !(54,-54><TSANG86>
388 C2H5+CH2(S)=C2H4+CH3 9.0E12 0. 0. !(55,-55)<TSANG86>
389 C2H5+CH2(S)=C3H6+H 9.0E12 0. 0. !(56,-56)<TSANG86>
390 C2H5+CH2=C2H4+CH3 1.8E13 0. 0. !(57,-57)<TSANG86>
391 C2H5+CH3=C2H4+CH4 1.1E12 0. 0. !(58,-58)<BAULCH94>
392 C2H5+CH3=C3H8 3.4E13 0. 0. !(59,-59)<BAULCH94>
393 C2H5+C2H=C2H2+C2H4 1.8E12 0 0. !(60,-60)<TSANG86>
394 C2H5+C2H3=UC4H8 1.5E13 0. 0. !(61,-61)<TSANG86>
395 C2H5+C2H3=2C2H4 4.8E11 0. 0. !(62,-62)<TSANG86>
396 C2H5+C2H3=C2H2+C2H6 4.8E11 0. 0. !(63,-63)<TSANG86>
397 C2H5+C2H5=C2H4+C2H6 1.4E12 0. 0. !(64,-64)<BAULCH94>
398 C2H5+C2H5=NC4H10 1.1E13 0. 0. !(65,-65)<BAULCH94>
399 !REACTIONS DE C2H6
400 C2H6+M=C2H4+H2+M 2.3E17 0. 67.4E3 !(66,-66)<SCHULTZ85NIST>
401 C2H6+H=C2H5+H2 1.4E9 1.5 7.4E3 !(67,-67)<BAULCH94>
402 C2H6+CH=C3H6+H 1.1E14 0. -0.3E3 !(68,-68)<BAULCH94>
403 C2H6+CH2(S)=CH3+C2H5 1.1E14 0. 0. !(69,-69)<TSANG86>
404 C2H6+CH3=C2H5+CH4 1.5E-7 6.0 5.8E3 !(70,-70)<BAULCH94>
405 C2H6+C2H=C2H2+C2H5 3.6E12 0. 0. !(71,-71)<TSANG86>
406 C2H6+C2H3=C2H5+C2H4 6.0E2 3.3 10.5E3 !(72,-72)<TSANG86>
407 !REACTIONS DE LA MATRICE O(x)C(y)H(z) x>0
408 !REACTIONS DE O
409 O+H2=OH+H 5.1E4 2.67 6.2E3 !(73,-73)<BAULCH94>
410 O+CH=CO+H 3.9E13 0. 0. !(74,-74)<BAULCH94>
411 O+CH=C+OH 1.5E13 0. 4.7E3 !(75,-75)<MURRELL86>
412 O+CH2(S)=>CO+2H 1.5E13 0. 0. !(76) <TSANG86>
413 O+CH2(S)=CO+H2 1.5E13 0. 0. !(77,-77)<TSANG86>
414 O+CH2=>CO+2H 7.2E13 0. 0. !(78) <BAULCH94>
415 O+CH2=CO+H2 4.8E13 0. 0. !(79,-79)<BAULCH94>
416 O+CH3=CH2O+H 8.4E13 0. 0. !(80,-80)<BAULCH94>
417 O+CH3=CH3O 8.0E15 -2.12 0.6E3 !(81,-81)<DEAN87>
418 O+CH4=CH3+OH 7.2E8 1.56 8.4E3 !(82,-82)<BAULCH94>
419 O+C2H=CH+CO 1.0E13 0. 0. !(83,-83)<DAGAUT91>
420 O+C2H2=HCCO+H 6.5E3 2.8 0.5E3 !(84,-84)<DAGAUT91>
421 O+C2H2=CH2+CO 1.5E4 2.8 0.5E3 !(85,-85)<DAGAUT91>
422 O+C2H3=CH3+CO 3.0E13 0. 0. !(86,-86)<DAGAUT91>
423 O+C2H3=CH2CO+H 9.6E13 0. 0. !(87,-87)<TSANG86>
424 O+C2H4=CH3+HCO 8.1E6 1.88 0.2E3 !(88,-88)<BAULCH94>
425 O+C2H4=CH2O+CH2 4.00E5 1.88 0.2E3 !(89,-89)<BAULCH94>
426 O+C2H4=CH2CO+H2 6.6E5 1.88 0.2E3 !(90,-90)<BAULCH94>
427 O+C2H4=CH2CHO+H 4.7E6 1.88 0.2E3 !(91,-91)<BAULCH94>
428 O+C2H4=OH+C2H3 1.5E7 1.91 3.7E3 !(92,-92)<MAHMUD87>
429 O+C2H5=CH2O+CH3 1.1E13 0. 0. !(93,-93)<BAULCH94>
430 O+C2H5=CH3CHO+H 5.5E13 0. 0. !(94,-94)<BAULCH94>
431 O+C2H5=C2H4+OH 3.0E13 0. 0. !(95,-95)<DAGAUT91>
432 O+C2H6=C2H5+OH 1.0E9 1.5 5.8E3 !(96,-96)<BAULCH94>
433 !REACTIONS DE OH
434 OH+M=O+H+M 2.4E15 0. 99.0E3 !(97,-97><TSANG86>
435 OH+H+M=H2O+M 2.4E22 -2.0 0. !(98,-98)<BAULCH94>
436 OH+H2=H+H2O 1.0E8 1.6 3.3E3 !(99,-99)<BAULCH94>
437 OH+C=CO+H 5.0E13 0. 0. !(100,-100)<RANZI94>
438 OH+CH=HCO+H 3.0E13 0. 0. !(101,-101)<DAGAUT91>
439 OH+CH2(S)=CH2O+H 3.0E13 0. 0. !(102,-102)<TSANG86>
440 OH+CH2=CH2O+H 1.8E13 0. 0. !(103,-103)<TSANG86>
441 OH+CH3=CH2(S)+H2O 7.2E13 0. 2.7E3 !(104,-104)<BAULCH94>
442 OH+CH3(+M)=CH3OH(+M) 6.0E13 0. 0. !(105,-105)<BAULCH94>
443 LOW /1.6E44 -8.2 0./
444 TROE /0.82 200. 1438./
445 OH+CH3=CH2O+H2 3.2E12 -0.53 10.8E3 !(106,-106)<DAGAUT91>
446 OH+CH3=CH3O+H 5.7E12 -0.23 13.9E3 !(107,-107)<DAGAUT91>
447 OH+CH4=CH3+H2O 1.6E7 1.83 2.7E3 !(108,-108)<BAULCH94>
448 OH+C2H=C2H2+O 1.8E13 0. 0. !(109,-109)<TSANG86>
449 OH+C2H=CH2+CO 1.8E13 0. 0. !(110,-110)<TSANG86>
450 OH+C2H=HCCO+H 2.0E13 0. 0. !(111,-111)<DAGAUT91>
451 OH+C2H2=C2H+H2O 1.4E4 2.68 12.0E3 !(112,-112)<TSANG86>
452 OH+C2H2=CH2CO+H 2.2E-4 4.5 -1.0E3 !(113,-113)<DAGAUT91>
453 OH+C2H2=CH3+CO 4.8E-4 4. -2.0E3 !(114,-114)<DAGAUT91>
454 OH+C2H3=C2H2+H2O 3.0E13 0. 0. !(115,-115)<TSANG86>
455 OH+C2H3=CH3CHO 3.0E13 0. 0. !(116,-116)<TSANG86>
456 OH+C2H4=C2H3+H2O 2.0E13 0. 5.9E3 !(117,-117)<BAULCH94>
457 OH+C2H4=CH3+CH2O 2.0E12 0. 0.9E3 !(118,-118)<GLARBORG86>
458 OH+C2H5=C2H4+H2O 2.4E13 0. 0. !(119,-119)<TSANG86>
459 OH+C2H5=>CH3+H+CH2O 2.4E13 0. 0. !(120) <TSANG86>
460 OH+C2H6=C2H5+H2O 7.2E6 2. 0.9E3 !(121,-121)<BAULCH94>
461 OH+OH=H2O+O 1.5E9 1.14 0.1E3 !(122,-122)<BAULCH94>
462 !REACTIONS DE H2O
463 H2O+CH=CH2OH 5.7E12 0. -0.8E3 !(123,-123)<BAULCH94>
464 H2O+CH2(S)=CH3OH 1.8E13 0. 0. !(124,-124)<TSANG86>
465 !REACTIONS DE CO
466 CO+CH3(+M)=CH3CO(+M) 5.0E11 0. 6.9E3 !(125,-125)<BAULCH94>
467 LOW /1.1E14 0. 3.8E3/
468 TROE /0.5 1. 1.0E8/
469 CO+O+M=CO2+M 6.2E14 0. 3.0E3 !(126,-126)<TSANG86>
470 CO+OH=CO2+H 6.3E6 1.5 -0.5E3 !(127,-127)<BAULCH94>
471 !REACTIONS DE HCO
472 HCO+M=H+CO+M 1.6E14 0. 15.7E3 !(128,-128)<BAULCH94>
473 HCO+H=H2+CO 9.0E13 0. 0. !(129,-129)<BAULCH94>
474 HCO+H=O+CH2 4.0E13 0. 102.5E3 !(130,-130)<TSUBOI81>
475 HCO+CH2(S)=CH3+CO 1.8E13 0. 0. !(131,-131)<TSANG86>
476 HCO+CH2=CH3+CO 1.8E13 0. 0. !(132,-132)<TSANG86>
477 HCO+CH3=CH4+CO 1.2E14 0. 0. !(133,-133)<TSANG86>
478 HCO+CH3=CH3CHO 1.8E13 0. 0. !(134,-134)<TSANG86>
479 HCO+CH4=CH3+CH2O 7.3E3 2.85 22.4E3 !(135,-135)<TSANG86>
480 HCO+C2H=C2H2+CO 6.0E13 0. 0. !(136,-136)<TSANG86>
481 HCO+C2H3=C2H4+CO 9.0E13 0. 0. !(137,-137)<TSANG86>
482 HCO+C2H3=C2H3CHO 1.8E13 0. 0. !(138,-138)<TSANG86>
483 HCO+C2H4=C2H3+CH2O 9.0E10 0. 5.4E3 !(139,-139)<LESCLAUX86NIST>
484 HCO+C2H5=C2H6+CO 1.2E14 0. 0. !(140,-140)<TSANG86>
485 HCO+C2H5=C2H5CHO 1.8E13 0. 0. !(141,-141)<TSANG86>
486 HCO+C2H6=C2H5+CH2O 4.7E4 2.72 18.2E3 !(142,-142)<TSANG86>
487 HCO+O=H+CO2 3.0E13 0. 0. !(143,-143)<BAULCH94>
488 HCO+O=OH+CO 3.0E13 0. 0. !(144,-144)<BAULCH94>
489 HCO+OH=H2O+CO 1.1E14 0. 0. !(145,-145)<BAULCH94>
490 HCO+HCO=CH2O+CO 3.0E13 0. 0. !(146,-146)<BAULCH94>
491 !REACTIONS DE CH2O
492 CH2O+M=HCO+H+M 4.9E35 -5.54 96.3E3 !(147,-147)<BAULCH94>
493 CH2O+M=CO+H2+M 1.1E36 -5.54 96.3E3 !(148,-148)<BAULCH94>
494 CH2O+H=HCO+H2 1.3E8 1.62 2.1E3 !(149,-149)<BAULCH94>
495 CH2O+CH=CH2CHO 9.6E13 0. -0.5E3 !(150,-150)<BAULCH94average>
496 CH2O+CH2(S)=CH3+HCO 1.2E12 0. 0. !(151,-151)<TSANG86>
497 CH2O+O=HCO+OH 4.1E11 0.57 2.7E3 !(152,-152)<BAULCH94>
498 CH2O+OH=HCO+H2O 3.4E9 1.18 -0.4E3 !(153,-153)<BAULCH94>
499 !REACTIONS DE CH3O
500 CH3O+M=CH2O+H+M 5.4E13 0. 13.4E3 !(154,-154)<BAULCH94>
501 CH3O+H=CH2O+H2 1.8E13 0. 0. !(155,-155)<BAULCH94>
502 CH3O+CH2(S)=CH3+CH2O 1.8E13 0. 0. !(156,-156)<TSANG86>
503 CH3O+CH2=CH3+CH2O 1.8E13 0. 0. !(157,-157)<TSANG86>
504 CH3O+CH3=CH2O+CH4 2.4E13 0. 0. !(158,-158)<TSANG86>
505 CH3O+CH3=CH3OCH3 1.2E13 0. 0. !(159,-159)<TSANG86>
506 CH3O+CH4=CH3+CH3OH 1.6E11 0. 8.8E3 !(160,-160)<TSANG86>
507 CH3O+C2H=CH2O+C2H2 2.4E13 0. 0. !(161,-161)<TSANG86>
508 CH3O+C2H3=CH2O+C2H4 2.4E13 0. 0. !(162,-162)<TSANG86>
509 CH3O+C2H4=CH2O+C2H5 1.2E11 0. 6.7E3 !(163,-163)<TSANG86>
510 CH3O+C2H5=CH2O+C2H6 2.4E13 0. 0. !(164,-164)<TSANG86>
511 CH3O+C2H6=C2H5+CH3OH 2.4E11 0. 7.0E3 !(165,-165)<TSANG86>
512 CH3O+O=CH2O+OH 1.8E12 0. 0. !(166,-166)<BAULCH94>
513 CH3O+OH=CH2O+H2O 1.8E13 0. 0. !(167,-167)<TSANG86>
514 CH3O+CO=CH3+CO2 1.6E13 0. 11.7E3 !(168,-168)<TSANG86>
515 CH3O+HCO=CH3OH+CO 9.1E13 0. 0. !(169,-169)<TSANG86>
516 CH3O+CH2O=CH3OH+HCO 1.0E11 0. 3.0E3 !(170,-170)<TSANG86>
517 CH3O+CH3O=CH3OH+CH2O 6.0E13 0. 0. !(171,-171)<TSANG86>
518 CH3O+CH3O=CH3OOCH3 1.8E12 0. 0. !(172,-172)<TSANG86>
519 !REACTIONS DE CH2OH
520 CH2OH+M=H+CH2O+M 4.5E25 -2.5 34.2E3 !(173,-173)<TSANG87>
521 CH2OH+H=CH3+OH 9.6E13 0. 0. !(174,-174)<TSANG87>
522 CH2OH+H=CH2O+H2 6.0E12 0. 0. !(175,-175)<TSANG87>
523 CH2OH+H2=CH3OH+H 6.7E5 2. 13.4E3 !(176,-176)<TSANG87>
524 CH2OH+CH2(S)=CH3CHO+H 1.8E13 0. 0. !(177,-177)<TSANG87>
525 CH2OH+CH2=C2H4+OH 2.4E13 0. 0. !(178,-178)<TSANG87>
526 CH2OH+CH2=CH3+CH2O 1.2E12 0. 0. !(179,-179)<TSANG87>
527 CH2OH+CH3=CH4+CH2O 1.4E13 0. 0. !(180,-180)<TSANG87>
528 CH2OH+CH3=C2H5OH 1.2E13 0. 0. !(181,-181)<TSANG87>
529 CH2OH+CH4=CH3OH+CH3 21.7 3.1 16.2E3 !(182,-182)<TSANG87>
530 CH2OH+C2H=C2H2+CH2O 4.8E13 0. 0. !(183,-183)<TSANG87average>
531 CH2OH+C2H2=C2H3+CH2O 7.2E11 0. 9.0E3 !(184,-184)<TSANG87>
532 CH2OH+C2H3=C2H4+CH2O 3.0E13 0. 0. !(186,-186)<TSANG87>
533 CH2OH+C2H5=C2H4+CH3OH 2.4E12 0. 0. !(187,-187)<TSANG87>
534 CH2OH+C2H5=C2H6+CH2O 2.4E12 0. 0. !(188,-188)<TSANG87>
535 CH2OH+C2H5=NC3H7OH 1.2E13 0. 0. !(189,-189)<TSANG87>
536 CH2OH+C2H6=CH3OH+C2H5 199. 3. 14.0E3 !(190,-190)<TSANG87>
537 CH2OH+O=CH2O+OH 4.2E13 0. 0. !(191,-191)<TSANG87>
538 CH2OH+OH=H2O+CH2O 2.4E13 0. 0. !(192,-192)<TSANG87>
539 CH2OH+H2O=CH3OH+OH 1.6E14 0. 26.3E3 !(193,-193)<TSUBOI81NIST>
540 CH2OH+HCO=CH3OH+CO 1.2E14 0. 0. !(194,-194)<TSANG87>
541 CH2OH+HCO=CH2O+CH2O 1.8E14 0. 0. !(195,-195)<TSANG87>
542 CH2OH+CH2O=CH3OH+HCO 5.5E3 2.8 5.9E3 !(196,-196)<TSANG87>
543 CH2OH+CH3O=CH3OH+CH2O 2.4E13 0. 0. !(197,-197)<TSANG87>
544 CH2OH+CH2OH=CH3OH+CH2O 4.8E12 0. 0. !(198,-198)<TSANG87>
545 CH2OH+CH2OH=HOCH2CH2OH 9.6E12 0. 0. !(199,-199)<TSANG87>
546 !REACTIONS DE CH3OH
547 CH3OH+H=CH3+H2O 2.0E14 0. 5.3E3 !(200,-200)<HIDAKA89NIST>
548 CH3OH+H=CH3O+H2 4.2E6 2.1 4.9E3 !(201,-201)<TSANG87>
549 CH3OH+CH2(S)=CH2OH+CH3 1.5E12 0. 0. !(202,-202)<TSANG87>
550 CH3OH+CH2=CH3+CH2OH 31.9 3.2 7.2E3 !(203,-203)<TSANG87>
551 CH3OH+CH2=CH3+CH3O 14.4 3.1 6.9E3 !(204,-204)<TSANG87>
552 CH3OH+C2H=C2H2+CH2OH 6.0E12 0. 0. !(205,-205)<TSANG87>
553 CH3OH+C2H=C2H2+CH3O 1.2E12 0. 0. !(206,-206)<TSANG87>
554 CH3OH+C2H3=C2H4+CH2OH 31.9 3.2 7.2E3 !(207,-207)<TSANG87>
555 CH3OH+C2H3=C2H4+CH3O 14.4 3.1 6.9E3 !(208,-208)<TSANG87>
556 CH3OH+O=CH2OH+OH 3.4E13 0. 5.5E3 !(209,-209)<GROTHEER81NIST>
557 CH3OH+O=CH3O+OH 1.0E13 0. 4.7E3 !(210,-210)<WARNATZ84>
558 CH3OH+OH=CH3O+H2O 1.0E13 0. 1.7E3 !(211,-211)<WARNATZ84>
559 CH3OH+CH3O=CH3OH+CH2OH 3.0E11 0. 4.1E3 !(212,-212)<TSANG87>
560 !REACTIONS DE HCCO
561 HCCO+M=CH+CO+M 6.0E15 0. 58.8E3 !(213,-213)<DAGAUT91>
562 HCCO+H=CH2+CO 1.5E14 0. 0. !(214,-214)<BAULCH94>
563 HCCO+CH2=C2H+CH2O 1.0E13 0. 2.0E3 !(215,-215)<DAGAUT91>
564 HCCO+CH2=C2H3+CO 3.0E13 0. 0. !(216,-216)<DAGAUT91>
565 HCCO+O=>CO+CO+H 9.6E13 0. 0. !(217) <BAULCH94>
566 HCCO+OH=>HCO+CO+H 1.0E13 0. 0. !(218) <DAGAUT91>
567 !REACTIONS DE CH2CO
568 CH2CO+M=CH2(S)+CO+M 4.1E15 0. 59.3E3 !(219,-219)<DAGAUT91>
569 CH2CO+M=HCCO+H+M 2.7E17 0. 87.0E3 !(220,-220)<FRANK86NIST>
570 CH2CO+H=CH3+CO 1.8E13 0. 3.4E3 !(221,-221)<BAULCH94>
571 CH2CO+H=HCCO+H2 5.0E13 0. 8.0E3 !(222,-222)<DAGAUT91>
572 CH2CO+CH2=C2H4+CO 1.3E14 0. 0. !(223,-223)<CANOSA-MAS84NIST>
573 CH2CO+O=CH2+CO2 1.8E12 0. 1.3E3 !(224,-224)<DAGAUT91>
574 CH2CO+O=HCCO+OH 1.0E13 0. 8.0E3 !(225,-225)<DAGAUT91>
575 CH2CO+OH=HCCO+H2O 7.5E12 0. 2.0E3 !(226,-226)<DAGAUT91>
576 CH2CO+OH=HCO+CH2O 2.8E13 0. 0. !(227,-227)<VANDOOREN77>
577 !REACTIONS DE CH3CO
578 CH3CO+H=CH3+HCO 9.6E13 0. 0. !(228,-228)<TSANG86>
579 CH3CO+CH2(S)=CH3+CH2CO 1.8E13 0. 0. !(229,-229)<TSANG86>
580 CH3CO+CH2=CH3+CH2CO 1.8E13 0. 0. !(230,-230)<TSANG86>
581 CH3CO+CH3=CH3COCH3 4.0E15 -0.8 0. !(231,-231)<TSANG86>
582 CH3CO+C2H5=C2H5COCH3 3.1E14 -0.5 0. !(232,-232)<TSANG86>
583 CH3CO+O=CH3+CO2 9.6E12 0. 0. !(233,-233)<TSANG86>
584 CH3CO+OH=CH2CO+H2O 1.2E13 0. 0. !(234,-234)<TSANG86>
585 CH3CO+OH=CH3+CO+OH 3.0E13 0. 0. !(235,-235)<TSANG86>
586 CH3CO+HCO=CH3CHO+CO 9.0E12 0. 0. !(236,-236)<TSANG86>
587 CH3CO+HCO=CH3COCHO 1.8E13 0. 0. !(237,-237)<TSANG86>
588 CH3CO+CH2O=CH3CHO+HCO 1.8E11 0. 12.9E3 !(238,-238)<TSANG86>
589 CH3CO+CH3O=CH3OH+CH2CO 6.0E12 0. 0. !(239,-239)<TSANG86>
590 CH3CO+CH3O=CH2O+CH3CHO 6.0E12 0. 0. !(240,-240)<TSANG86>
591 CH3CO+CH2OH=CH3COCH2OH 1.2E13 0. 0. !(241,-241)<TSANG87>
592 CH3CO+CH3OH=CH3CHO+CH2OH 4.85E3 3. 12.3E3 !(242,-242)<TSANG87>
593 CH3CO+CH3CO=CH3COCOCH3 1.2E13 0. 12.3E3 !(243,-243)<TSANG86>
594 CH3CO+CH3CO=CH3CHO+CH2CO 1.2E13 0. 0. !(244,-244)<TSANG86>
595 !REACTIONS DE CH2CHO
596 CH2CHO=CH3CO 1.0E13 0. 47.0E3!(245,-245)<COLKET75>
597 CH2CHO=H+CH2CO 1.6E13 0. 35.0E3!(246,-246)<COLKET75>
598 !REACTIONS DE CH3CHO
599 CH3CHO+H=H2+CH3CO 4.0E13 0. 4.2E3!(247,-247)<WARNATZ84>
600 CH3CHO+CH3=CH3CO+CH4 1.2E11 0. 0. !(248,-248)<COX90mod>
601 CH3CHO+C2H3=C2H4+CH3CO 8.1E10 0. 3.7E3!(249,-249)<SCHERZER87>
602 CH3CHO+C2H5=C2H6+CH3CO 1.3E12 0. 8.5E3!(250,-250)<HOHLEIN70>
603 CH3CHO+O=CH3CO+OH 1.4E13 0. 2.3E3!(251,-251)<COX90>
604 CH3CHO+OH=CH3CO+H2O 4.2E12 0. 0.5E3!(252,-252)<COX90>
605 CH3CHO+CH3O=CH3CO+CH3OH 2.4E11 0. 1.8E3!(253,-253)<COX90>
606 CH3CHO+CH3CO=CH3COCH3+HCO 1.7E11 0. 0. !(254,-254)<GILL81>
607 CH3CHO+CH2CHO=CH3CHO+CH3CO 2.5E7 0. 0. !(255,-255)<SCHUCHMANN70>
608 !REACTIONS DE C2H4O
609 C2H4O=CH4+CO 1.2E13 0. 57.2E3!(256,-256)<LIFSHITZ83>
610 C2H4O=CH3CHO 7.3E13 0. 57.2E3!(257,-257)<LIFSHITZ83>
611 C2H4O=CH3+HCO 3.6E13 0. 57.2E3!(258,-258)<LIFSHITZ83>
612 C2H4O+H=H2+CH2CHO 2.0E13 0. 8.3E3!(259,-259)<LIFSHITZ83>
613 C2H4O+H=H2O+C2H3 5.0E9 0. 5.0E3!(260,-260)<LIFSHITZ83>
614 C2H4O+H=C2H4+OH 9.5E10 0. 5.0E3!(261,-261)<LIFSHITZ83>
615 C2H4O+CH3=CH4+CH2CHO 1.1E12 0. 11.8E3!(262,-262)<BALDWIN84*>
616 C2H4O+CH3=C2H5+CH2O 1.4E11 0. 7.6E3!(263,-263)<RANZI94>
617 C2H4O+CH3=C2H4+CH3O 1.5E10 0. 7.6E3!(264,-264)<RANZI94>
618 C2H4O+C2H=C2H2+CH2CHO 1.2E12 0. 9.8E3!(265,-265)<RANZI94>
619 C2H4O+C2H3=C2H4+CH2CHO 2.0E12 0. 9.3E3!(266,-266)<RANZI94>
620 C2H4O+C2H5=C2H6+CH2CHO 6.8E11 0. 11.4E3!(267,-267)<RANZI94>
621 C2H4O+O=OH+CH2CHO 1.9E12 0. 5.2E3!(268,-268)<BOGAN78NIST>
622 C2H4O+OH=H2O+CH2CHO 1.8E13 0. 3.6E3!(269,-269)<BALDWIN84*>
623 C2H4O+HCO=CH2O+CH2CHO 3.7E12 0. 15.8E3!(270,-270)<RANZI94>
624 C2H4O+CH3O=CH3OH+CH2CHO 1.3E12 0. 5.8E3!(271,-271)<RANZI94>
625 C2H4O+CH2OH=CH3OH+CH2CHO 8.4E11 0. 13.4E3!(272,-272)<RANZI94>
626 C2H4O+CH3CO=CH3CHO+CH2CHO 4.0E12 0. 17.5E3!(273,-273)<RANZI94>
627 C2H4O+CH2CHO=CH3CHO+CH2CHO 6.8E11 0. 15.4E3!(274,-274)<RANZI94>
628 !* assuming that C2H3O decompose rapidly to CH2CHO
629 !REACTIONS DE C2H5O!
630 C2H5O=CH2O+CH3 8.0E13 0. 21.5E3!(276,-276)<BAULCH94>
631 C2H5O=CH3CHO+H 2.0E14 0. 23.3E3!(277,-277)<HEICKLEN88>
632 !REACTIONS DE C2H5OH
633 !C2H5OH+H, O, OH =products no enough data
634 !REACTIONS DE O2
635 O2+M=O+O+M 1.8E18 -1. 118.1E3 !(278,-278)<TSANG86>
636 O2+H=OH+O 9.8E13 0. 14.8E3 !(279,-279)<BAULCH94>
637 O2+H+M=HO2+M 6.2E17 -0.8 0. !(280,-280)<BAULCH94>
638 O2+C=CO+O 1.2E14 0. 0. !(281,-281)<RANZI94>
639 O2+CH=HCO+O 3.3E13 0. 0. !(282,-282)<DAGAUT91>
640 O2+CH=CO+OH 2.0E13 0. 0. !(283,-283)<DAGAUT91>
641 O2+CH2(S)=>CO+OH+H 3.1E12 0. 0. !(284) <BAULCH94>
642 O2+CH2=HCO+OH 4.3E10 0. -0.5E3 !(285,-285)<DAGAUT91>
643 O2+CH2=CO2+H2 6.9E11 0. 0.5E3 !(286,-286)<DAGAUT91>
644 O2+CH2=>CO2+H+H 1.6E12 0. 1.0E3 !(287) <DAGAUT91>
645 O2+CH2=CO+H2O 1.9E10 0. -1.0E3 !(288,-288)<DAGAUT91>
646 O2+CH2=>CO+OH+H 8.6E10 0. -0.5E3 !(289) <DAGAUT91>
647 O2+CH2=CH2O+O 1.0E14 0. 4.5E3 !(290,-290)<DAGAUT91>
648 O2+CH3(+M)=CH3O2(+M) 7.8E8 1.2 0. !(291,-291)<BAULCH94>
649 LOW /5.6E25 -3.3 0./
650 TROE /0.36 1. 1.0E8/
651 O2+CH3=CH3O+O 1.3E14 0. 31.3E3 !(292,-292)<BAULCH94>
652 O2+CH3=CH2O+OH 3.0E30 -4.69 36.6E3 !(293,-293)<DAGAUT91>
653 O2+CH4=CH3+HO2 4.0E13 0. 56.7E3 !(294,-294)<BAULCH94>
654 O2+C2H=CO+HCO 2.4E12 0. 0. !(295,-295)<TSANG86>
655 O2+C2H=HCCO+O 6.0E11 0. 0. !(296,-296)<TSANG86>
656 O2+C2H2=C2H+HO2 1.2E13 0. 74.5E3 !(297,-297)<TSANG86>
657 O2+C2H2=HCCO+OH 2.0E8 1.5 30.1E3 !(298,-298)<DAGAUT91>
658 O2+C2H3=C2H2+HO2 1.2E11 0. 0. !(299,-299)<TSANG86>
659 O2+C2H3=CH2O+HCO 3.0E12 0. -0.3E3 !(300,-300)<DAGAUT91>
660 O2+C2H4=C2H3+HO2 4.2E13 0. 57.4E3 !(301,-301)<TSANG86>
661 O2+C2H5=C2H5O2 2.2E10 0.77 -0.6E3 !(301,-301)<WAGNER90>
662 O2+C2H5=C2H4+HO2 8.4E11 0. 3.9E3 !(303,-303)<TSANG86>
663 O2+C2H5=C2H5O+O 1.2E13 -0.2 27.9E3 !(304,-304)<BOZZELLI90>
664 O2+C2H5=CH3CHO+OH 6.0E10 0. 6.9E3 !(305,-305)<TSANG86>
665 O2+C2H6=C2H5+HO2 6.0E13 0. 51.7E3 !(306,-306)<BAULCH94>
666 O2+OH=HO2+O 2.2E13 0. 52.5E3 !(307,-307)<TSANG86>
667 O2+CO=CO2+O 2.5E12 0. 47.7E3 !(308,-308)<TSANG86>
668 O2+HCO=CO+HO2 5.1E13 0. 1.7E3 !(309,-309)<TSANG86>
669 O2+CH2O=HCO+HO2 2.0E13 0. 38.8E3 !(310,-310)<TSANG86>
670 O2+CH3O=CH2O+HO2 2.2E10 0. 1.7E3 !(311,-311)<BAULCH94>
671 O2+CH2OH=CH2O+HO2 1.2E12 0. 0. !(312,-312)<TSANG87>
672 O2+CH3OH=CH2OH+HO2 2.0E13 0. 44.9E3 !(313,-313)<TSANG87>
673 O2+HCCO=>CO+CO+OH 1.5E12 0. 2.5E3 !(314) <DAGAUT91>
674 O2+CH2CO=CH2O+CO2 1.0E8 0. 0. !(315,-315)<DAGAUT91>
675 O2+CH3CO=CH3CO3 2.4E12 0. 0. !(316,-316)<COX90>
676 O2+CH2CHO=>CH2O+OH+CO 5.9E9 0. -1.4E3 !(317) <COX90>
677 O2+CH2CHO=CH2CO+HO2 1.0E10 0. -1.4E3 !(318,-318)<COX90>
678 O2+CH3CHO=CH3CO+HO2 5.0E13 0. 36.4E3 !(319,-319)<COX90>
679 O2+C2H4O=HO2+CH2CHO 5.0E13 0. 48.0E3 !(320,-320)<RANZI94>
680 O2+C2H5O=CH3CHO+HO2 6.0E10 0. 1.7E3 !(321,-321)<BAULCH94>
681 !REACTIONS DE HO2
682 HO2+H=H2+O2 4.3E13 0. 1.4E3 !(322,-322)<BAULCH94>
683 HO2+H=2OH 1.7E14 0. 0.9E3 !(323,-323)<BAULCH94>
684 HO2+H=H2O+O 3.0E13 0. 1.7E3 !(324,-324)<BAULCH94>
685 HO2+CH2(S)=CH2O+OH 3.0E13 0. 0. !(325,-325)<TSANG86>
686 HO2+CH2=CH2O+OH 1.8E13 0. 0. !(326,-326)<TSANG86>
687 HO2+CH3=CH3O+OH 1.8E13 0. 0. !(327,-327)<BAULCH94>
688 HO2+CH4=CH3+H2O2 9.0E12 0. 24.6E3 !(328,-328)<BAULCH94>
689 HO2+C2H=HCCO+OH 1.8E13 0. 0. !(329,-329)<TSANG86>
690 HO2+C2H2=CH2CO+OH 6.0E9 0. 8.0E3 !(330,-330)<TSANG86>
691 HO2+C2H3=>OH+CH3+CO 3.0E13 0. 0. !(331) <TSANG86>
692 HO2+C2H4=CH3CHO+OH 6.0E9 0. 7.9E3 !(332,-332)<TSANG86>
693 HO2+C2H4=C2H4O+OH 2.2E12 0. 17.2E3 !(333,-333)<BAULCH94>
694 HO2+C2H5=>CH3+CH2O+OH 2.4E13 0. 0. !(334) <TSANG86>
695 HO2+C2H5=C2H4+H2O2 3.0E11 0. 0. !(335,-335)<TSANG86>
696 HO2+C2H6=C2H5+H2O2 1.3E13 0. 20.4E3 !(336,-336)<BAULCH94>
697 HO2+OH=H2O+O2 2.9E13 0. -0.5E3 !(337,-337)<BAULCH94>
698 HO2+CO=CO2+OH 1.5E14 0. 23.6E3 !(338,-338)<TSANG86>
699 !-------------------------------------------------------------------------------------!
700 !fittings (20/12/94, F. Battin-Leclerc) on CH4-02 system in PSR between 500 and 1300C!
701 !HO2+CO=CO2+OH 3.0E13 0. 23.6E3! !(338,-338)<TSANG86/5>
702 !-------------------------------------------------------------------------------------!
703 HO2+HCO=>OH+H+CO2 3.0E13 0. 0. !(339) <TSANG86>
704 HO2+CH2O=HCO+H2O2 3.0E12 0. 13.0E3 !(340,-340)<BAULCH94>
705 HO2+CH3O=CH2O+H2O2 3.0E11 0. 0. !(341,-341)<TSANG86>
706 HO2+CH2OH=CH2O+H2O2 1.2E13 0. 0. !(342,-342)<TSANG87>
707 HO2+CH3OH=CH2OH+H2O2 9.6E10 0. 12.6E3 !(343,-343)<TSANG87>
708 HO2+CH3CO=>CH3+CO2+OH 3.0E13 0. 0. !(344)<TSANG86>
709 HO2+CH3CHO=CH3CO+H2O2 1.0E12 0. 10.0E3 !(345,-345)<COX90>
710 HO2+C2H4O=H2O2+CH2CHO 1.6E12 0. 15.0E3 !(346,-346)<RANZI94>
711 HO2+HO2=H2O2+O2 1.9E12 0. 1.5E3 !(347,-347)<BAULCH92>
712 DUPLICATE
713 HO2+HO2=H2O2+O2 1.3E11 0. -1.7E3 !(347,-347)<BAULCH 94>
714 DUPLICATE
715 !REACTIONS DE H2O2
716 H2O2(+M)=OH+OH(+M) 3.0E14 0. 48.3E3 !(348,-348)<BAULCH94>
717 LOW /1.2E17 0. 45.3E3/
718 H2O2+H=H2+HO2 1.7E12 0. 3.7E3 !(349,-349)<BAULCH94>
719 H2O2+H=H2O+OH 1.0E13 0. 3.6E3 !(350,-350)<BAULCH94>
720 H2O2+CH2(S)=CH3O+OH 3.0E13 0. 0. !(351,-351)<TSANG86>
721 H2O2+C2H3=C2H4+HO2 1.2E10 0. -0.6E3 !(352,-352)<TSANG86>
722 H2O2+O=OH+HO2 6.6E11 0. 4.0E3 !(353,-353)<BAULCH94>
723 H2O2+OH=H2O+HO2 7.8E12 0. 1.3E3 !(354,-354)<BAULCH94>
724 !REACTIONS DE CO2
725 CO2+CH2=CH2O+CO 2.3E10 0. 0. !(355,-355)<TSANG86>
726 !REACTIONS DE CH3O2
727 CH3O2=CH2O+OH 1.5E13 0. 47.0E3 !(356,-356)<RANZI94>
728 CH3O2+H=CH3O+OH 9.6E13 0. 0. !(357,-357)<TSANG86>
729 CH3O2+H2=CH3O2H+H 3.0E13 0. 26.0E3 !(358,-358)<TSANG86>
730 CH3O2+CH2(S)=CH2O+CH3O 1.8E13 0. 0. !(359,-359)<TSANG86>
731 CH3O2+CH2=CH2O+CH3O 1.8E13 0. 0. !(360,-360)<TSANG86>
732 CH3O2+CH3=CH3O+CH3O 5.0E12 0. -1.4E3 !(361,-361)<COX90>
733 CH3O2+CH4=CH3O2H+CH3 1.8E11 0. 18.5E3 !(362,-362)<TSANG86>
734 CH3O2+C2H=CH3O+HCCO 2.4E13 0. 0. !(363,-363)<TSANG86>
735 CH3O2+C2H2=CH3O2H+C2H 5.6E11 0. 24.5E3 !(364,-364)<RANZI94>
736 CH3O2+C2H3=CH3O+CH2CHO 2.4E13 0. 0. !(365,-365)<TSANG86>
737 !* assuming that C2H3O decompose rapidly to CH2CHO
738 CH3O2+C2H4=CH3O+C2H4O 1.1E15 0. 20.0E3 !(366,-366)<NIKISHA81/MOSHKINA80>
739 CH3O2+C2H4=CH3O2H+C2H3 3.9E12 0. 24.5E3 !(367,-367)<RANZI94>
740 CH3O2+C2H5=CH3O+C2H5O 2.4E13 0. 0. !(368,-368)<TSANG86>
741 CH3O2+C2H6=CH3O2H+C2H5 2.9E11 0. 14.9E3 !(369,-369)<TSANG86>
742 CH3O2+O=CH3O+O2 3.6E13 0. 0. !(370,-370)<TSANG86>
743 CH3O2+OH=CH3OH+O2 6.0E13 0. 0. !(371,-371)<TSANG86>
744 CH3O2+OH=CH3O+HO2 3.0E12 0. 0. !(372,-372)<RANZI94>
745 CH3O2+CO=CH3O+CO2 1.0E14 0. 24.0E3 !(373,-373)<RANZI94>
746 CH3O2+HCO=>CH3O+H+CO2 3.0E13 0. 0. !(374)<TSANG86>
747 CH3O2+CH2O=CH3O2H+HCO 1.0E12 0. 12.1E3 !(375,-375)<COX90>
748 CH3O2+CH3O=CH2O+CH3O2H 3.0E11 0. 0. !(376,-376)<TSANG86>
749 CH3O2+CH2OH=>CH3O+OH+CH2O 1.2E13 0. 0. !(377)<TSANG87>
750 CH3O2+CH3OH=CH3O2H+CH2OH 1.8E12 0. 13.7E3 !(378,-378)<TSANG87>
751 CH3O2+CH3OH=CH3O2H+CH3O 2.8E11 0. 18.8E3 !(379,-379)<RANZI94>
752 CH3O2+CH2CO=CH3O2H+HCCO 1.7E12 0. 27.0E3 !(380,-380)<RANZI94>
753 CH3O2+CH3CO=CH3+CO2+CH3O 2.4E13 0. 0. !(381,-381)<TSANG86>
754 CH3O2+CH3CHO=CH3O2H+CH3CO 1.0E12 0. 12.1E3 !(382,-382)<COX90>
755 CH3O2+CH3CHO=CH3O2H+CH2CHO 1.7E12 0. 19.2E3 !(383,-383)<RANZI94>
756 CH3O2+C2H4O=CH3O2H+CH2CHO 2.2E12 0. 16.0E3 !(384,-384)<RANZI94>
757 CH3O2+HO2=CH3O2H+O2 2.5E11 0. -1.6E3 !(385,-385)<BAULCH94>
758 CH3O2+HO2=>O2+CH2O+H2O 5.0E10 0. 0. !(386)<RANZI94>
759 CH3O2+H2O2=CH3O2H+HO2 2.4E12 0. 9.9E3 !(387,-387)<TSANG86>
760 CH3O2+CH3O2=CH3OH+CH2O+O2 2.5E10 0. -0.8E3 !(388,-388)<BAULCH94>
761 CH3O2+CH3O2=CH3O+CH3O+O2 2.5E10 0. -0.8E3 !(389,-389)<BAULCH94>
762 !REACTIONS DE CH3O2H
763 CH3O2H=CH3O+OH 6.0E14 0. 42.3E3 !(390,-390)<BAULCH94>
764 CH3O2H+O=CH3O2+OH 2.0E13 0. 4.8E3 !(391,-391)<BAULCH94average>
765 CH3O2H+OH=H2O+CH3O2 1.8E12 0. -0.37E3 !(392,-392)<BAULCH94average>
766 CH3O2H+CH3O=>CH3OH+OH+CH2O 1.5E11 0. 6.5E3 !(393)<RANZI94>
767 !REACTIONS DE C2H5O2
768 C2H5O2=C2H4O2H 4.2E12 0. 36.9E3 !(394,-394)<PILLING94>
769 C2H5O2+H2=C2H5O2H+H 7.9E12 0. 21.0E3 !(395,-395)<RANZI94>
770 C2H5O2+CH3=C2H5O+CH3O 2.0E12 0. -1.2E3 !(396,-396)<RANZI94>
771 C2H5O2+CH4=C2H5O2H+CH3 3.9E12 0. 24.0E3 !(397,-397)<RANZI94>
772 C2H5O2+C2H2=C2H5O2H+C2H 5.6E11 0. 24.4E3 !(398,-398)<RANZI94>
773 C2H5O2+C2H4=C2H5O2H+C2H3 3.9E12 0. 24.4E3 !(399,-399)<RANZI94>
774 C2H5O2+C2H4=C2H5O+C2H4O 2.3E16 0. 21.9E3 !(400,-400)<MOSHKINA80>
775 C2H5O2+C2H6=C2H5O2H+C2H5 5.1E12 0. 19.5E3 !(401,-401)<RANZI94>
776 C2H5O2+H2O=C2H5O2H+OH 5.6E12 0. 30.6E3 !(402,-402)<RANZI94>
777 C2H5O2+CO=CO2+C2H5O 1.0E14 0. 24.0E3 !(403,-403)<RANZI94>
778 C2H5O2+CH2O=C2H5O2H+HCO 4.5E12 0. 14.4E3 !(404,-404)<RANZI94>
779 C2H5O2+CH3OH=C2H5O2H+CH3O 2.8E11 0. 18.4E3 !(405,-405)<RANZI94>
780 C2H5O2+CH3OH=C2H5O2H+CH2OH 2.8E12 0. 19.5E3 !(406,-406)<RANZI94>
781 C2H5O2+CH2CO=C2H5O2H+HCCO 1.7E12 0. 24.4E3 !(407,-407)<RANZI94>
782 C2H5O2+CH3CHO=C2H5O2H+CH3CO 3.9E12 0. 14.4E3 !(408,-408)<RANZI94>
783 C2H5O2+CH3CHO=C2H5O2H+CH2CHO 1.7E12 0. 19.5E3 !(409,-409)<RANZI94>
784 C2H5O2+C2H4O=C2H5O2H+CH2CHO 2.2E12 0. 16.3E3 !(410,-410)<RANZI94>
785 C2H5O2+HO2=O2+C2H5O2H 3.9E11 0. -1.3E3 !(411,-411)<BAULCH89>
786 !Rate constant measured between 240 and 380K
787 C2H5O2+H2O2=C2H5O2H+HO2 4.5E11 0. 10.8E3 !(412,-412)<RANZI94>
788 C2H5O2+CH3O2=>C2H5O+CH3O+O2 2.0E11 0. 0. !(413)<RANZI94>
789 C2H5O2+CH3O2H=C2H5O2H+CH3O2 1.1E12 0. 16.3E3 !(414,-414)<RANZI94>
790 C2H5O2+C2H5O2=2C2H5O+O2 4.1E10 0. 0.2E3 !(415,-415)<LIGHTFOOT92>
791 C2H5O2+C2H5O2=C2H5OH+CH3CHO+O2 1.8E10 0. 0.2E3 !(416,-416)<LIGHTFOOT92>
792 !REACTIONS DE C2H4O2H
793 C2H4O2H=C2H4O+OH 1.5E11 0. 20.0E3 !(417,-417)<RANZI94>
794 C2H4O2H=CH2OH+CH2O 2.5E13 0. 27.5E3 !(418,-418)<RANZI94>
795 C2H4O2H=C2H4+HO2 2.0E13 0. 23.5E3 !(419,-419)<RANZI94>
796 !REACTIONS DE C2H5O2H
797 C2H5O2H=C2H5O+OH 4.0E15 0. 42.9E3 !(420,-420)<BAULCH94>
798 C2H5O2H+H=>CH3CHO+OH+H2 3.2E13 0. 7.7E3 !(421)<RANZI94>
799 C2H5O2H+CH3=>CH3CHO+OH+CH4 5.7E11 0. 8.7E3 !(422)<RANZI94>
800 C2H5O2H+C2H=>CH3CHO+OH+C2H2 6.0E11 0. 9.2E3 !(423)<RANZI94>
801 C2H5O2H+C2H3=>CH3CHO+OH+C2H4 1.0E12 0. 8.7E3 !(424)<RANZI94>
802 C2H5O2H+C2H5=>CH3CHO+OH+C2H6 3.4E11 0. 11.4E3 !(425)<RANZI94>
803 C2H5O2H+OH=>CH3CHO+OH+H2O 5.9E12 0. 0.9E3 !(426)<RANZI94>
804 C2H5O2H+HCO=>CH3CHO+OH+CH2O 1.8E12 0. 16.7E3 !(427)<RANZI94>
805 C2H5O2H+CH3O=>CH3CHO+OH+CH3OH 6.3E11 0. 5.5E3 !(428)<RANZI94>
806 C2H5O2H+CH2OH=>CH3CHO+OH+CH3OH 4.2E11 0. 13.6E3 !(429)<RANZI94>
807 C2H5O2H+CH3CO=>2CH3CHO+OH 2.0E12 0. 18.5E3 !(430)<RANZI94>
808 C2H5O2H+CH2CHO=>2CH3CHO+OH 3.4E11 0. 15.7E3 !(431)<RANZI94>
809 C2H5O2H+HO2=>CH3CHO+OH+H2O2 8.0E11 0. 16.2E3 !(432)<RANZI94>
810 C2H5O2H+CH3O2=>CH3CHO+OH+CH3O2H 1.1E12 0. 16.7E3 !(433)<RANZI94>
811 C2H5O2H+C2H5O2=>CH3CHO+OH+C2H5O2H 1.1E12 0. 16.7E3 !(434)<RANZI94>
812 !REACTIONS DE CH3CO3
813 CH3CO3+C2H4O=CH3CO3H+CH2CHO 1.0E12 0. 9.3E3 !(435,-436)<RANZI94>
814 CH3CO3+HO2=CH3CO3H+O2 5.5E10 0. -2.6E3 !(436,-436)<COX90>
815 CH3CO3+C2H5O2H=CH3CO3H+C2H5O2 5.0E11 0. 9.2E3 !(437,-437)<RANZI94>
816 CH3CO3+C2H5O2H=>CH3CHO+OH+CH3CO3H 5.0E11 0. 9.2E3 !(438)<RANZI94>
817 CH3CO3+CH3CO3=>2CH3+O2+2CO2 1.7E12 0. -1.0E3 !(439)<COX90>
818 !REACTIONS DE CH3CO3H
819 CH3CO3H=>CH3+CO2+OH 1.0E16 0. 40.0E3 !(440)<COX90>
820 END
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