Droplet Lagrangian Transient One-dimensional Reacting Code Implementation of both liquid and gas phase governing equations.
Nevar pievienot vairāk kā 25 tēmas Tēmai ir jāsākas ar burtu vai ciparu, tā var saturēt domu zīmes ('-') un var būt līdz 35 simboliem gara.

2373 rindas
92KB

  1. generator: cti2yaml
  2. cantera-version: 2.5.1
  3. date: Wed, 20 Mar 2024 12:59:02 -0700
  4. input-files: [redKaust-C3.cti]
  5. units: {length: cm, quantity: mol, activation-energy: cal/mol}
  6. phases:
  7. - name: gas
  8. thermo: ideal-gas
  9. elements: [C, H, N, O, Ar, He, Ne]
  10. species: [AR, HE, H2, H, O2, O, H2O, OH, H2O2, HO2, CO, CO2, CH4, CH3,
  11. CH2, CH, CH3O2, CH3OH, CH3O, CH2OH, CH2O, HCO, C2H5, C2H4, C2H3, C2H2,
  12. CH3CO, CH2CO, HCCO, IC3H7, C3H6, C3H5-A, C4H8-1, NC7H16, NC7H15, NC7H14,
  13. NC7H15OO, NC7H14OOH, OONC7H14OOH, NC7KET, NC5H11CO, IC8H18, C8H17, C8H16,
  14. C8H17O2, C8H16OOH, C8H16OOH-O2, IC8KET, C6H5CH3, C6H5CH2, C6H5CHO, C6H5,
  15. C6H6, C6H5CO, C6H5O, C5H5, C4H5-N, C2H5OH, SC2H4OH, CH3CHO, C3H4, C3H3,
  16. C3H5, C3H8, I-C3H7, N-C3H7, C3H6OOH, OC3H5OOH, CH2CHO, C2H6, N2]
  17. kinetics: gas
  18. reactions: all
  19. transport: mixture-averaged
  20. state:
  21. T: 300.0
  22. P: 1.01325e+05
  23. species:
  24. - name: AR
  25. composition: {Ar: 1}
  26. thermo:
  27. model: NASA7
  28. temperature-ranges: [200.0, 1000.0, 6000.0]
  29. data:
  30. - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.37967491]
  31. - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.37967491]
  32. transport:
  33. model: gas
  34. geometry: atom
  35. diameter: 3.33
  36. well-depth: 136.5
  37. note: G5/97
  38. - name: HE
  39. composition: {He: 1}
  40. thermo:
  41. model: NASA7
  42. temperature-ranges: [200.0, 1000.0, 6000.0]
  43. data:
  44. - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 0.928723974]
  45. - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 0.928723974]
  46. transport:
  47. model: gas
  48. geometry: atom
  49. diameter: 2.576
  50. well-depth: 10.2
  51. note: G5/97
  52. - name: H2
  53. composition: {H: 2}
  54. thermo:
  55. model: NASA7
  56. temperature-ranges: [200.0, 1000.0, 6000.0]
  57. data:
  58. - [2.34433112, 7.98052075e-03, -1.9478151e-05, 2.01572094e-08, -7.37611761e-12,
  59. -917.935173, 0.683010238]
  60. - [2.93286575, 8.26608026e-04, -1.46402364e-07, 1.54100414e-11, -6.888048e-16,
  61. -813.065581, -1.02432865]
  62. transport:
  63. model: gas
  64. geometry: linear
  65. diameter: 2.92
  66. well-depth: 38.0
  67. polarizability: 0.79
  68. rotational-relaxation: 280.0
  69. note: TPIS78
  70. - name: H
  71. composition: {H: 1}
  72. thermo:
  73. model: NASA7
  74. temperature-ranges: [200.0, 1000.0, 6000.0]
  75. data:
  76. - [2.5, 0.0, 0.0, 0.0, 0.0, 2.547366e+04, -0.44668285]
  77. - [2.5, 0.0, 0.0, 0.0, 0.0, 2.547366e+04, -0.44668285]
  78. transport:
  79. model: gas
  80. geometry: atom
  81. diameter: 2.05
  82. well-depth: 145.0
  83. note: L6/94
  84. - name: O2
  85. composition: {O: 2}
  86. thermo:
  87. model: NASA7
  88. temperature-ranges: [200.0, 1000.0, 6000.0]
  89. data:
  90. - [3.78245636, -2.99673416e-03, 9.84730201e-06, -9.68129509e-09, 3.24372837e-12,
  91. -1063.94356, 3.65767573]
  92. - [3.66096065, 6.56365811e-04, -1.41149627e-07, 2.05797935e-11, -1.29913436e-15,
  93. -1215.97718, 3.41536279]
  94. transport:
  95. model: gas
  96. geometry: linear
  97. diameter: 3.458
  98. well-depth: 107.4
  99. polarizability: 1.6
  100. rotational-relaxation: 3.8
  101. note: RUS89
  102. - name: O
  103. composition: {O: 1}
  104. thermo:
  105. model: NASA7
  106. temperature-ranges: [200.0, 1000.0, 6000.0]
  107. data:
  108. - [3.1682671, -3.27931884e-03, 6.64306396e-06, -6.12806624e-09, 2.11265971e-12,
  109. 2.91222592e+04, 2.05193346]
  110. - [2.54363697, -2.73162486e-05, -4.1902952e-09, 4.95481845e-12, -4.79553694e-16,
  111. 2.9226012e+04, 4.92229457]
  112. transport:
  113. model: gas
  114. geometry: atom
  115. diameter: 2.75
  116. well-depth: 80.0
  117. note: L1/90
  118. - name: H2O
  119. composition: {H: 2, O: 1}
  120. thermo:
  121. model: NASA7
  122. temperature-ranges: [200.0, 1000.0, 6000.0]
  123. data:
  124. - [4.1986352, -2.0364017e-03, 6.5203416e-06, -5.4879269e-09, 1.771968e-12,
  125. -3.0293726e+04, -0.84900901]
  126. - [2.6770389, 2.9731816e-03, -7.7376889e-07, 9.4433514e-11, -4.2689991e-15,
  127. -2.9885894e+04, 6.88255]
  128. transport:
  129. model: gas
  130. geometry: nonlinear
  131. diameter: 2.605
  132. well-depth: 572.4
  133. dipole: 1.844
  134. rotational-relaxation: 4.0
  135. note: L5/89
  136. - name: OH
  137. composition: {H: 1, O: 1}
  138. thermo:
  139. model: NASA7
  140. temperature-ranges: [200.0, 1000.0, 6000.0]
  141. data:
  142. - [3.99198424, -2.40106655e-03, 4.61664033e-06, -3.87916306e-09, 1.36319502e-12,
  143. 3368.89836, -0.103998477]
  144. - [2.83853033, 1.10741289e-03, -2.94000209e-07, 4.20698729e-11, -2.4228989e-15,
  145. 3697.80808, 5.84494652]
  146. transport:
  147. model: gas
  148. geometry: linear
  149. diameter: 2.75
  150. well-depth: 80.0
  151. note: IU3/03
  152. - name: H2O2
  153. composition: {H: 2, O: 2}
  154. thermo:
  155. model: NASA7
  156. temperature-ranges: [200.0, 1000.0, 6000.0]
  157. data:
  158. - [4.31515149, -8.47390622e-04, 1.76404323e-05, -2.26762944e-08, 9.08950158e-12,
  159. -1.77067437e+04, 3.27373319]
  160. - [4.57977305, 4.05326003e-03, -1.2984473e-06, 1.982114e-10, -1.13968792e-14,
  161. -1.80071775e+04, 0.664970694]
  162. transport:
  163. model: gas
  164. geometry: nonlinear
  165. diameter: 3.458
  166. well-depth: 107.4
  167. rotational-relaxation: 3.8
  168. note: T8/03
  169. - name: HO2
  170. composition: {H: 1, O: 2}
  171. thermo:
  172. model: NASA7
  173. temperature-ranges: [200.0, 1000.0, 5000.0]
  174. data:
  175. - [4.30179807, -4.74912097e-03, 2.11582905e-05, -2.42763914e-08, 9.29225225e-12,
  176. 264.018485, 3.7166622]
  177. - [4.17228741, 1.88117627e-03, -3.46277286e-07, 1.94657549e-11, 1.76256905e-16,
  178. 31.0206839, 2.95767672]
  179. transport:
  180. model: gas
  181. geometry: nonlinear
  182. diameter: 3.458
  183. well-depth: 107.4
  184. rotational-relaxation: 1.0
  185. note: T1/09
  186. - name: CO
  187. composition: {C: 1, O: 1}
  188. thermo:
  189. model: NASA7
  190. temperature-ranges: [200.0, 1000.0, 6000.0]
  191. data:
  192. - [3.5795335, -6.1035369e-04, 1.0168143e-06, 9.0700586e-10, -9.0442449e-13,
  193. -1.4344086e+04, 3.5084093]
  194. - [3.0484859, 1.3517281e-03, -4.8579405e-07, 7.8853644e-11, -4.6980746e-15,
  195. -1.4266117e+04, 6.0170977]
  196. transport:
  197. model: gas
  198. geometry: linear
  199. diameter: 3.65
  200. well-depth: 98.1
  201. polarizability: 1.95
  202. rotational-relaxation: 1.8
  203. note: RUS79
  204. - name: CO2
  205. composition: {C: 1, O: 2}
  206. thermo:
  207. model: NASA7
  208. temperature-ranges: [200.0, 1000.0, 6000.0]
  209. data:
  210. - [2.356813, 8.9841299e-03, -7.1220632e-06, 2.4573008e-09, -1.4288548e-13,
  211. -4.8371971e+04, 9.9009035]
  212. - [4.6365111, 2.7414569e-03, -9.9589759e-07, 1.6038666e-10, -9.1619857e-15,
  213. -4.9024904e+04, -1.9348955]
  214. transport:
  215. model: gas
  216. geometry: linear
  217. diameter: 3.763
  218. well-depth: 244.0
  219. polarizability: 2.65
  220. rotational-relaxation: 2.1
  221. note: L7/88
  222. - name: CH4
  223. composition: {C: 1, H: 4}
  224. thermo:
  225. model: NASA7
  226. temperature-ranges: [200.0, 1000.0, 6000.0]
  227. data:
  228. - [5.14911468, -0.0136622009, 4.91453921e-05, -4.84246767e-08, 1.66603441e-11,
  229. -1.02465983e+04, -4.63848842]
  230. - [1.65326226, 0.0100263099, -3.31661238e-06, 5.36483138e-10, -3.14696758e-14,
  231. -1.00095936e+04, 9.90506283]
  232. transport:
  233. model: gas
  234. geometry: nonlinear
  235. diameter: 3.746
  236. well-depth: 141.4
  237. polarizability: 2.6
  238. rotational-relaxation: 13.0
  239. note: G8/99
  240. - name: CH3
  241. composition: {C: 1, H: 3}
  242. thermo:
  243. model: NASA7
  244. temperature-ranges: [200.0, 1000.0, 6000.0]
  245. data:
  246. - [3.6571797, 2.1265979e-03, 5.4583883e-06, -6.6181003e-09, 2.4657074e-12,
  247. 1.6422716e+04, 1.6735354]
  248. - [2.9781206, 5.797852e-03, -1.97558e-06, 3.072979e-10, -1.7917416e-14,
  249. 1.6509513e+04, 4.7224799]
  250. transport:
  251. model: gas
  252. geometry: linear
  253. diameter: 3.8
  254. well-depth: 144.0
  255. note: IU0702
  256. - name: CH2
  257. composition: {C: 1, H: 2}
  258. thermo:
  259. model: NASA7
  260. temperature-ranges: [200.0, 1000.0, 6000.0]
  261. data:
  262. - [3.71757846, 1.2739126e-03, 2.17347251e-06, -3.488585e-09, 1.65208866e-12,
  263. 4.58723866e+04, 1.75297945]
  264. - [3.14631886, 3.03671259e-03, -9.96474439e-07, 1.5048358e-10, -8.57335515e-15,
  265. 4.60412605e+04, 4.72341711]
  266. transport:
  267. model: gas
  268. geometry: linear
  269. diameter: 3.8
  270. well-depth: 144.0
  271. note: IU3/03
  272. - name: CH
  273. composition: {C: 1, H: 1}
  274. thermo:
  275. model: NASA7
  276. temperature-ranges: [200.0, 1000.0, 6000.0]
  277. data:
  278. - [3.4897583, 3.243216e-04, -1.6899751e-06, 3.162842e-09, -1.4061803e-12,
  279. 7.0612646e+04, 2.0842841]
  280. - [2.5209369, 1.7653639e-03, -4.614766e-07, 5.9289675e-11, -3.3474501e-15,
  281. 7.0946769e+04, 7.4051829]
  282. transport:
  283. model: gas
  284. geometry: linear
  285. diameter: 2.75
  286. well-depth: 80.0
  287. note: IU3/03
  288. - name: CH3O2
  289. composition: {C: 1, H: 3, O: 2}
  290. thermo:
  291. model: NASA7
  292. temperature-ranges: [300.0, 1374.0, 5000.0]
  293. data:
  294. - [1.97339205, 0.015354234, -6.37314891e-06, 3.19930565e-10, 2.82193915e-13,
  295. 254.278835, 16.9194215]
  296. - [6.47970487, 7.4440108e-03, -2.52348555e-06, 3.89577296e-10, -2.25182399e-14,
  297. -1562.85441, -8.19477074]
  298. transport:
  299. model: gas
  300. geometry: nonlinear
  301. diameter: 3.626
  302. well-depth: 481.8
  303. rotational-relaxation: 1.0
  304. - name: CH3OH
  305. composition: {C: 1, H: 4, O: 1}
  306. thermo:
  307. model: NASA7
  308. temperature-ranges: [200.0, 1000.0, 6000.0]
  309. data:
  310. - [5.65851051, -0.0162983419, 6.91938156e-05, -7.58372926e-08, 2.8042755e-11,
  311. -2.56119736e+04, -0.897330508]
  312. - [3.52726795, 0.0103178783, -3.62892944e-06, 5.77448016e-10, -3.42182632e-14,
  313. -2.60028834e+04, 5.16758693]
  314. transport:
  315. model: gas
  316. geometry: nonlinear
  317. diameter: 3.626
  318. well-depth: 481.8
  319. rotational-relaxation: 1.0
  320. note: T06/02
  321. - name: CH3O
  322. composition: {C: 1, H: 3, O: 1}
  323. thermo:
  324. model: NASA7
  325. temperature-ranges: [200.0, 1000.0, 6000.0]
  326. data:
  327. - [3.71180502, -2.80463306e-03, 3.76550971e-05, -4.73072089e-08, 1.8658842e-11,
  328. 1295.6976, 6.57240864]
  329. - [4.75779238, 7.44142474e-03, -2.69705176e-06, 4.38090504e-10, -2.63537098e-14,
  330. 378.11194, -1.96680028]
  331. transport:
  332. model: gas
  333. geometry: nonlinear
  334. diameter: 3.69
  335. well-depth: 417.0
  336. dipole: 1.7
  337. rotational-relaxation: 2.0
  338. note: IU1/03
  339. - name: CH2OH
  340. composition: {C: 1, H: 3, O: 1}
  341. thermo:
  342. model: NASA7
  343. temperature-ranges: [200.0, 1000.0, 6000.0]
  344. data:
  345. - [4.47834367, -1.3507031e-03, 2.7848498e-05, -3.6486906e-08, 1.4790745e-11,
  346. -3500.7289, 3.309135]
  347. - [5.0931437, 5.9476126e-03, -2.0649746e-06, 3.23008173e-10, -1.88125902e-14,
  348. -4034.0964, -1.84691493]
  349. transport:
  350. model: gas
  351. geometry: nonlinear
  352. diameter: 3.69
  353. well-depth: 417.0
  354. dipole: 1.7
  355. rotational-relaxation: 2.0
  356. note: IU2/03
  357. - name: CH2O
  358. composition: {C: 1, H: 2, O: 1}
  359. thermo:
  360. model: NASA7
  361. temperature-ranges: [200.0, 1000.0, 6000.0]
  362. data:
  363. - [4.79372312, -9.90833322e-03, 3.7321999e-05, -3.79285237e-08, 1.31772641e-11,
  364. -1.43791953e+04, 0.602798058]
  365. - [3.16952665, 6.1932056e-03, -2.25056366e-06, 3.6597566e-10, -2.20149458e-14,
  366. -1.45486831e+04, 6.04207898]
  367. transport:
  368. model: gas
  369. geometry: nonlinear
  370. diameter: 3.59
  371. well-depth: 498.0
  372. rotational-relaxation: 2.0
  373. note: T5/11
  374. - name: HCO
  375. composition: {C: 1, H: 1, O: 1}
  376. thermo:
  377. model: NASA7
  378. temperature-ranges: [200.0, 1000.0, 6000.0]
  379. data:
  380. - [4.2375461, -3.32075257e-03, 1.40030264e-05, -1.34239995e-08, 4.37416208e-12,
  381. 3872.41185, 3.30834869]
  382. - [3.92001542, 2.52279324e-03, -6.71004164e-07, 1.05615948e-10, -7.43798261e-15,
  383. 3653.42928, 3.58077056]
  384. transport:
  385. model: gas
  386. geometry: nonlinear
  387. diameter: 3.59
  388. well-depth: 498.0
  389. note: T5/03
  390. - name: C2H5
  391. composition: {C: 2, H: 5}
  392. thermo:
  393. model: NASA7
  394. temperature-ranges: [300.0, 1387.0, 5000.0]
  395. data:
  396. - [1.32730217, 0.0176656753, -6.14926558e-06, -3.01143466e-10, 4.38617775e-13,
  397. 1.34284028e+04, 17.1789216]
  398. - [5.8878439, 0.0103076793, -3.46844396e-06, 5.32499257e-10, -3.06512651e-14,
  399. 1.15065499e+04, -8.49651771]
  400. transport:
  401. model: gas
  402. geometry: nonlinear
  403. diameter: 4.35
  404. well-depth: 247.5
  405. rotational-relaxation: 1.5
  406. note: 8/4/4THERM
  407. - name: C2H4
  408. composition: {C: 2, H: 4}
  409. thermo:
  410. model: NASA7
  411. temperature-ranges: [300.0, 1392.0, 5000.0]
  412. data:
  413. - [0.481118223, 0.018377806, -9.99633565e-06, 2.73211039e-09, -3.01837289e-13,
  414. 5443.86648, 18.5867157]
  415. - [5.07061289, 9.11140768e-03, -3.10506692e-06, 4.80733851e-10, -2.78321396e-14,
  416. 3663.91217, -6.64501414]
  417. transport:
  418. model: gas
  419. geometry: nonlinear
  420. diameter: 3.496
  421. well-depth: 238.4
  422. rotational-relaxation: 1.5
  423. note: 8/12/15
  424. - name: C2H3
  425. composition: {C: 2, H: 3}
  426. thermo:
  427. model: NASA7
  428. temperature-ranges: [300.0, 1400.0, 5000.0]
  429. data:
  430. - [1.25545094, 0.0157481597, -1.12218328e-05, 4.50915682e-09, -7.74861577e-13,
  431. 3.47435574e+04, 16.9664043]
  432. - [4.99675415, 6.55838271e-03, -2.20921909e-06, 3.39300272e-10, -1.95316926e-14,
  433. 3.34604382e+04, -3.01451097]
  434. transport:
  435. model: gas
  436. geometry: nonlinear
  437. diameter: 3.721
  438. well-depth: 265.3
  439. rotational-relaxation: 1.0
  440. note: 8/12/15
  441. - name: C2H2
  442. composition: {C: 2, H: 2}
  443. thermo:
  444. model: NASA7
  445. temperature-ranges: [200.0, 1000.0, 6000.0]
  446. data:
  447. - [0.808679682, 0.0233615762, -3.55172234e-05, 2.80152958e-08, -8.50075165e-12,
  448. 2.64289808e+04, 13.9396761]
  449. - [4.65878489, 4.88396667e-03, -1.60828888e-06, 2.46974544e-10, -1.38605959e-14,
  450. 2.57594042e+04, -3.99838194]
  451. transport:
  452. model: gas
  453. geometry: linear
  454. diameter: 3.721
  455. well-depth: 265.3
  456. rotational-relaxation: 2.5
  457. note: G1/91
  458. - name: CH3CO
  459. composition: {C: 2, H: 3, O: 1}
  460. thermo:
  461. model: NASA7
  462. temperature-ranges: [200.0, 1000.0, 6000.0]
  463. data:
  464. - [4.0358705, 8.7729487e-04, 3.071001e-05, -3.9247565e-08, 1.5296869e-11,
  465. -2682.0738, 7.8617682]
  466. - [5.3137165, 9.1737793e-03, -3.3220386e-06, 5.3947456e-10, -3.2452368e-14,
  467. -3645.0414, -1.6757558]
  468. transport:
  469. model: gas
  470. geometry: nonlinear
  471. diameter: 3.97
  472. well-depth: 436.0
  473. rotational-relaxation: 2.0
  474. note: IU2/03
  475. - name: CH2CO
  476. composition: {C: 2, H: 2, O: 1}
  477. thermo:
  478. model: NASA7
  479. temperature-ranges: [300.0, 1000.0, 5000.0]
  480. data:
  481. - [1.81422511, 0.019900859, -2.21416008e-05, 1.45028521e-08, -3.98877068e-12,
  482. -7053.94926, 13.6079359]
  483. - [5.35869367, 6.95641586e-03, -2.64802637e-06, 4.65067592e-10, -3.0864182e-14,
  484. -7902.94013, -3.98525731]
  485. transport:
  486. model: gas
  487. geometry: nonlinear
  488. diameter: 3.97
  489. well-depth: 436.0
  490. rotational-relaxation: 2.0
  491. - name: HCCO
  492. composition: {C: 2, H: 1, O: 1}
  493. thermo:
  494. model: NASA7
  495. temperature-ranges: [200.0, 1000.0, 6000.0]
  496. data:
  497. - [1.87607969, 0.0221205418, -3.58869325e-05, 3.05402541e-08, -1.01281069e-11,
  498. 2.0163384e+04, 13.696829]
  499. - [5.91479333, 3.7140873e-03, -1.3013701e-06, 2.06473345e-10, -1.21476759e-14,
  500. 1.93596301e+04, -5.50567269]
  501. transport:
  502. model: gas
  503. geometry: nonlinear
  504. diameter: 2.5
  505. well-depth: 150.0
  506. rotational-relaxation: 1.0
  507. note: T4/09
  508. - name: IC3H7
  509. composition: {C: 3, H: 7}
  510. thermo:
  511. model: NASA7
  512. temperature-ranges: [298.0, 1000.0, 6000.0]
  513. data:
  514. - [-0.897467137, 0.0415744022, -4.94778349e-05, 4.56493655e-08, -1.79085437e-11,
  515. 9939.50407, 29.2641758]
  516. - [6.70775549, 0.0174048076, -6.07615926e-06, 9.60084351e-10, -5.6565649e-14,
  517. 7553.77821, -10.3686516]
  518. transport:
  519. model: gas
  520. geometry: nonlinear
  521. diameter: 4.81
  522. well-depth: 303.4
  523. rotational-relaxation: 1.0
  524. note: 8/12/15
  525. - name: C3H6
  526. composition: {C: 3, H: 6}
  527. thermo:
  528. model: NASA7
  529. temperature-ranges: [298.0, 1000.0, 6000.0]
  530. data:
  531. - [-1.54606737, 0.0436553128, -5.61392417e-05, 4.98421927e-08, -1.84798923e-11,
  532. 2070.56233, 29.9232495]
  533. - [6.59032304, 0.0152592866, -5.30369441e-06, 8.35510888e-10, -4.91215549e-14,
  534. -247.481113, -11.5748238]
  535. transport:
  536. model: gas
  537. geometry: nonlinear
  538. diameter: 4.14
  539. well-depth: 307.8
  540. rotational-relaxation: 1.0
  541. note: 8/12/15
  542. - name: C3H5-A
  543. composition: {C: 3, H: 5}
  544. thermo:
  545. model: NASA7
  546. temperature-ranges: [298.0, 1000.0, 6000.0]
  547. data:
  548. - [-3.32899442, 0.0538423469, -7.65500752e-05, 6.35512285e-08, -2.14283003e-11,
  549. 2.03420628e+04, 36.8038362]
  550. - [7.37604097, 0.0123449782, -4.26463882e-06, 6.69045835e-10, -3.92202554e-14,
  551. 1.7733296e+04, -16.1758204]
  552. transport:
  553. model: gas
  554. geometry: nonlinear
  555. diameter: 4.22
  556. well-depth: 316.0
  557. rotational-relaxation: 1.0
  558. note: 8/12/15
  559. - name: C4H8-1
  560. composition: {C: 4, H: 8}
  561. thermo:
  562. model: NASA7
  563. temperature-ranges: [300.0, 1388.0, 5000.0]
  564. data:
  565. - [0.162599556, 0.0401052746, -2.18038592e-05, 5.47070727e-09, -4.54073315e-13,
  566. -1654.02601, 24.8169258]
  567. - [11.0189295, 0.0182714177, -6.21801907e-06, 9.62038611e-10, -5.56791341e-14,
  568. -5809.98818, -34.7942287]
  569. transport:
  570. model: gas
  571. geometry: nonlinear
  572. diameter: 4.65
  573. well-depth: 355.0
  574. rotational-relaxation: 1.0
  575. - name: NC7H16
  576. composition: {C: 7, H: 16}
  577. thermo:
  578. model: NASA7
  579. temperature-ranges: [300.0, 1395.0, 5000.0]
  580. data:
  581. - [-0.908407323, 0.085275353, -5.25668671e-05, 1.6295425e-08, -2.0105013e-12,
  582. -2.57434808e+04, 33.8295611]
  583. - [22.5012314, 0.0346122447, -1.18043982e-05, 1.828945e-09, -1.05955678e-13,
  584. -3.43062239e+04, -93.3711818]
  585. transport:
  586. model: gas
  587. geometry: nonlinear
  588. diameter: 6.253
  589. well-depth: 459.6
  590. rotational-relaxation: 1.0
  591. - name: NC7H15
  592. composition: {C: 7, H: 15}
  593. thermo:
  594. model: NASA7
  595. temperature-ranges: [300.0, 1396.0, 5000.0]
  596. data:
  597. - [0.397035978, 0.0741511374, -3.83235778e-05, 7.74076842e-09, -1.21846705e-13,
  598. -2612.70661, 31.9805516]
  599. - [21.4174224, 0.0328392073, -1.11628188e-05, 1.72585155e-09, -9.98390142e-14,
  600. -1.06455467e+04, -83.5962465]
  601. transport:
  602. model: gas
  603. geometry: nonlinear
  604. diameter: 6.168
  605. well-depth: 437.3
  606. rotational-relaxation: 1.0
  607. - name: NC7H14
  608. composition: {C: 7, H: 14}
  609. thermo:
  610. model: NASA7
  611. temperature-ranges: [300.0, 1390.0, 5000.0]
  612. data:
  613. - [-1.16533279, 0.0790439806, -4.96101666e-05, 1.58569009e-08, -2.05346433e-12,
  614. -1.17362359e+04, 35.987107]
  615. - [20.6192047, 0.0314852991, -1.07162057e-05, 1.65827662e-09, -9.59911785e-14,
  616. -1.96713162e+04, -82.2519387]
  617. transport:
  618. model: gas
  619. geometry: nonlinear
  620. diameter: 6.173
  621. well-depth: 457.8
  622. dipole: 0.3
  623. rotational-relaxation: 1.0
  624. note: 7/19/0THERM
  625. - name: NC7H15OO
  626. composition: {C: 7, H: 15, O: 2}
  627. thermo:
  628. model: NASA7
  629. temperature-ranges: [300.0, 1399.0, 5000.0]
  630. data:
  631. - [1.2019826, 0.0933836346, -6.50845852e-05, 2.35152589e-08, -3.47595547e-12,
  632. -2.13315851e+04, 28.5195439]
  633. - [27.2644843, 0.0326945656, -1.1145017e-05, 1.72632915e-09, -9.9995953e-14,
  634. -3.03857809e+04, -111.491892]
  635. transport:
  636. model: gas
  637. geometry: nonlinear
  638. diameter: 6.317
  639. well-depth: 561.0
  640. dipole: 1.7
  641. rotational-relaxation: 1.0
  642. - name: NC7H14OOH
  643. composition: {C: 7, H: 15, O: 2}
  644. thermo:
  645. model: NASA7
  646. temperature-ranges: [300.0, 1400.0, 5000.0]
  647. data:
  648. - [1.28356907, 0.0944955667, -6.71910982e-05, 2.46830552e-08, -3.69644605e-12,
  649. -1.34221407e+04, 29.8300713]
  650. - [27.9788938, 0.0317340951, -1.08300553e-05, 1.67892063e-09, -9.73081404e-14,
  651. -2.2619155e+04, -113.340193]
  652. transport:
  653. model: gas
  654. geometry: nonlinear
  655. diameter: 6.317
  656. well-depth: 561.0
  657. dipole: 1.7
  658. rotational-relaxation: 1.0
  659. - name: OONC7H14OOH
  660. composition: {C: 7, H: 15, O: 4}
  661. thermo:
  662. model: NASA7
  663. temperature-ranges: [300.0, 1394.0, 5000.0]
  664. data:
  665. - [2.32043086, 0.102080359, -6.80665886e-05, 2.17353894e-08, -2.6114996e-12,
  666. -3.1388016e+04, 29.0263218]
  667. - [33.9461015, 0.0320348143, -1.10936268e-05, 1.73715155e-09, -1.01404253e-13,
  668. -4.26242723e+04, -141.965954]
  669. transport:
  670. model: gas
  671. geometry: nonlinear
  672. diameter: 6.436
  673. well-depth: 677.149
  674. - name: NC7KET
  675. composition: {C: 7, H: 14, O: 3}
  676. thermo:
  677. model: NASA7
  678. temperature-ranges: [300.0, 1387.0, 5000.0]
  679. data:
  680. - [-0.46488568, 0.103357179, -7.61139823e-05, 2.78751565e-08, -4.03730693e-12,
  681. -4.99658596e+04, 39.4918604]
  682. - [31.3654946, 0.028382537, -9.59763655e-06, 1.48080243e-09, -8.56069968e-14,
  683. -6.07950743e+04, -130.969387]
  684. transport:
  685. model: gas
  686. geometry: nonlinear
  687. diameter: 6.506
  688. well-depth: 581.3
  689. dipole: 2.0
  690. rotational-relaxation: 1.0
  691. - name: NC5H11CO
  692. composition: {C: 6, H: 11, O: 1}
  693. thermo:
  694. model: NASA7
  695. temperature-ranges: [300.0, 1387.0, 5000.0]
  696. data:
  697. - [2.03899694, 0.0597834497, -3.08487256e-05, 5.75699235e-09, 8.35477271e-14,
  698. -1.45087642e+04, 23.0358058]
  699. - [20.0712533, 0.0247109029, -8.46937882e-06, 1.31698154e-09, -7.65012214e-14,
  700. -2.14161547e+04, -76.2093348]
  701. transport:
  702. model: gas
  703. geometry: nonlinear
  704. diameter: 6.009
  705. well-depth: 498.6
  706. dipole: 2.0
  707. rotational-relaxation: 1.0
  708. - name: IC8H18
  709. composition: {C: 8, H: 18}
  710. thermo:
  711. model: NASA7
  712. temperature-ranges: [300.0, 1375.0, 5000.0]
  713. data:
  714. - [-2.320103, 0.0994421827, -5.50646625e-05, 1.24524269e-08, -5.630668e-13,
  715. -3.00098387e+04, 37.0060008]
  716. - [28.9836767, 0.0373559123, -1.29897715e-05, 2.03973991e-09, -1.19299976e-13,
  717. -4.19523072e+04, -134.980537]
  718. transport:
  719. model: gas
  720. geometry: nonlinear
  721. diameter: 6.414
  722. well-depth: 458.5
  723. rotational-relaxation: 1.0
  724. note: 4/9/16
  725. - name: C8H17
  726. composition: {C: 8, H: 17}
  727. thermo:
  728. model: NASA7
  729. temperature-ranges: [300.0, 1375.0, 5000.0]
  730. data:
  731. - [-1.98100191, 0.0960814588, -5.40979109e-05, 1.26600048e-08, -6.77574373e-13,
  732. -5687.62686, 38.7993547]
  733. - [28.4356308, 0.0352691727, -1.22693107e-05, 1.9272357e-09, -1.12748013e-13,
  734. -1.72341299e+04, -128.126198]
  735. transport:
  736. model: gas
  737. geometry: nonlinear
  738. diameter: 6.414
  739. well-depth: 458.5
  740. rotational-relaxation: 1.0
  741. note: 4/17/16THERM
  742. - name: C8H16
  743. composition: {C: 8, H: 16}
  744. thermo:
  745. model: NASA7
  746. temperature-ranges: [300.0, 1397.0, 5000.0]
  747. data:
  748. - [-2.76918691, 0.0993990701, -6.83906734e-05, 2.38396065e-08, -3.31639651e-12,
  749. -1.64257106e+04, 38.8970353]
  750. - [25.6705029, 0.0336855956, -1.13266491e-05, 1.7390717e-09, -1.00139465e-13,
  751. -2.62708423e+04, -113.924701]
  752. transport:
  753. model: gas
  754. geometry: nonlinear
  755. diameter: 6.44
  756. well-depth: 485.6
  757. dipole: 0.3
  758. rotational-relaxation: 1.0
  759. note: 4/24/16THERM
  760. - name: C8H17O2
  761. composition: {C: 8, H: 17, O: 2}
  762. thermo:
  763. model: NASA7
  764. temperature-ranges: [300.0, 1376.0, 5000.0]
  765. data:
  766. - [-0.217657327, 0.104171553, -6.11938687e-05, 1.56006304e-08, -1.16839582e-12,
  767. -2.42259505e+04, 34.0440351]
  768. - [33.4098292, 0.0359420358, -1.2645638e-05, 2.0010169e-09, -1.17653224e-13,
  769. -3.69143682e+04, -150.187273]
  770. transport:
  771. model: gas
  772. geometry: nonlinear
  773. diameter: 6.506
  774. well-depth: 581.3
  775. dipole: 2.0
  776. rotational-relaxation: 1.0
  777. note: 4/11/16
  778. - name: C8H16OOH
  779. composition: {C: 8, H: 17, O: 2}
  780. thermo:
  781. model: NASA7
  782. temperature-ranges: [300.0, 1379.0, 5000.0]
  783. data:
  784. - [-0.848379668, 0.107744052, -6.71459544e-05, 1.92996608e-08, -1.95634286e-12,
  785. -1.65617081e+04, 39.4028041]
  786. - [33.411312, 0.0356413407, -1.24753351e-05, 1.96747508e-09, -1.15417876e-13,
  787. -2.92045554e+04, -147.330594]
  788. transport:
  789. model: gas
  790. geometry: nonlinear
  791. diameter: 6.506
  792. well-depth: 581.3
  793. dipole: 2.0
  794. rotational-relaxation: 1.0
  795. note: 16THERM
  796. - name: C8H16OOH-O2
  797. composition: {C: 8, H: 17, O: 4}
  798. thermo:
  799. model: NASA7
  800. temperature-ranges: [300.0, 1378.0, 5000.0]
  801. data:
  802. - [0.974524953, 0.115449803, -7.35282935e-05, 2.16812646e-08, -2.30117546e-12,
  803. -3.43510688e+04, 34.3956598]
  804. - [38.4821294, 0.0360972499, -1.27491745e-05, 2.0225498e-09, -1.19129555e-13,
  805. -4.81559571e+04, -169.902551]
  806. transport:
  807. model: gas
  808. geometry: nonlinear
  809. diameter: 6.506
  810. well-depth: 581.3
  811. dipole: 2.0
  812. rotational-relaxation: 1.0
  813. note: 16THERM
  814. - name: IC8KET
  815. composition: {C: 8, H: 16, O: 3}
  816. thermo:
  817. model: NASA7
  818. temperature-ranges: [300.0, 1397.0, 5000.0]
  819. data:
  820. - [-0.158674451, 0.111893828, -8.31304602e-05, 3.24533905e-08, -5.22031842e-12,
  821. -5.16412602e+04, 37.1969282]
  822. - [31.1021857, 0.036459017, -1.24943176e-05, 1.94223767e-09, -1.12782039e-13,
  823. -6.2279878e+04, -129.876285]
  824. transport:
  825. model: gas
  826. geometry: nonlinear
  827. diameter: 6.506
  828. well-depth: 581.3
  829. dipole: 2.0
  830. rotational-relaxation: 1.0
  831. note: 4/23/16THERM
  832. - name: C6H5CH3
  833. composition: {C: 7, H: 8}
  834. thermo:
  835. model: NASA7
  836. temperature-ranges: [200.0, 1000.0, 6000.0]
  837. data:
  838. - [-2.43395338, 0.0552665386, -1.43012515e-05, -1.34211403e-08, 6.31647638e-12,
  839. 4433.34751, 36.6431988]
  840. - [12.940034, 0.026691287, -9.6838505e-06, 1.5738629e-09, -9.4663601e-14,
  841. -658.670553, -46.685542]
  842. transport:
  843. model: gas
  844. geometry: nonlinear
  845. diameter: 5.68
  846. well-depth: 495.3
  847. dipole: 0.375
  848. polarizability: 12.3
  849. rotational-relaxation: 1.0
  850. note: l6/87
  851. - name: C6H5CH2
  852. composition: {C: 7, H: 7}
  853. thermo:
  854. model: NASA7
  855. temperature-ranges: [250.0, 1000.0, 6000.0]
  856. data:
  857. - [-5.82826786, 0.0866126552, -9.21076288e-05, 6.01075277e-08, -1.82042779e-11,
  858. 2.36090846e+04, 49.2594176]
  859. - [14.723052, 0.023034244, -8.4847359e-06, 1.3916962e-09, -8.4247967e-14,
  860. 1.80276246e+04, -55.8951695]
  861. transport:
  862. model: gas
  863. geometry: nonlinear
  864. diameter: 5.68
  865. well-depth: 495.3
  866. dipole: 0.375
  867. polarizability: 12.3
  868. rotational-relaxation: 1.0
  869. note: iu3/03
  870. - name: C6H5CHO
  871. composition: {C: 7, H: 6, O: 1}
  872. thermo:
  873. model: NASA7
  874. temperature-ranges: [300.0, 1386.0, 5000.0]
  875. data:
  876. - [-2.60353345, 0.064552181, -4.65225481e-05, 1.75020923e-08, -2.85902517e-12,
  877. -6093.49966, 39.5197874]
  878. - [17.4024893, 0.0189508317, -6.58694307e-06, 1.03413046e-09, -6.04793155e-14,
  879. -1.31347923e+04, -68.3284224]
  880. transport:
  881. model: gas
  882. geometry: nonlinear
  883. diameter: 5.53
  884. well-depth: 622.4
  885. dipole: 3.0
  886. polarizability: 12.3
  887. rotational-relaxation: 1.0
  888. note: 5/16/90THERM
  889. - name: C6H5
  890. composition: {C: 6, H: 5}
  891. thermo:
  892. model: NASA7
  893. temperature-ranges: [200.0, 1000.0, 6000.0]
  894. data:
  895. - [-3.07054064, 0.0482358178, -2.22615384e-05, -4.12153284e-09, 4.05326297e-12,
  896. 3.98360456e+04, 38.5390446]
  897. - [10.8444762, 0.0173212473, -6.29233249e-06, 1.02369961e-09, -6.16216828e-14,
  898. 3.55919142e+04, -35.3388751]
  899. transport:
  900. model: gas
  901. geometry: nonlinear
  902. diameter: 5.349
  903. well-depth: 412.3
  904. dipole: 0.3
  905. polarizability: 10.32
  906. rotational-relaxation: 1.0
  907. note: T04/02
  908. - name: C6H6
  909. composition: {C: 6, H: 6}
  910. thermo:
  911. model: NASA7
  912. temperature-ranges: [200.0, 1000.0, 6000.0]
  913. data:
  914. - [-3.09552155, 0.0489667572, -1.53120946e-05, -1.12368522e-08, 6.10448405e-12,
  915. 8869.81257, 36.1793947]
  916. - [11.0809576, 0.0207176746, -7.52145991e-06, 1.22320984e-09, -7.36091279e-14,
  917. 4341.59966, -40.0033193]
  918. transport:
  919. model: gas
  920. geometry: nonlinear
  921. diameter: 5.349
  922. well-depth: 412.3
  923. polarizability: 10.32
  924. rotational-relaxation: 1.0
  925. note: G6/01
  926. - name: C6H5CO
  927. composition: {C: 7, H: 5, O: 1}
  928. thermo:
  929. model: NASA7
  930. temperature-ranges: [300.0, 1396.0, 5000.0]
  931. data:
  932. - [-1.99760308, 0.0673502233, -5.83626802e-05, 2.66387303e-08, -5.06805017e-12,
  933. 1.024168e+04, 34.867862]
  934. - [17.9587471, 0.0158218495, -5.48154854e-06, 8.58709339e-10, -5.01435299e-14,
  935. 3793.61859, -70.6233364]
  936. transport:
  937. model: gas
  938. geometry: nonlinear
  939. diameter: 5.53
  940. well-depth: 622.4
  941. dipole: 2.0
  942. polarizability: 12.3
  943. rotational-relaxation: 1.0
  944. - name: C6H5O
  945. composition: {C: 6, H: 5, O: 1}
  946. thermo:
  947. model: NASA7
  948. temperature-ranges: [200.0, 1000.0, 6000.0]
  949. data:
  950. - [-3.20361501, 0.0645073124, -5.45387062e-05, 2.39900872e-08, -4.94649243e-12,
  951. 5019.85886, 38.7526394]
  952. - [13.722172, 0.0174688771, -6.3550452e-06, 1.03492308e-09, -6.23410504e-14,
  953. 314.029918, -48.7892668]
  954. transport:
  955. model: gas
  956. geometry: nonlinear
  957. diameter: 5.5
  958. well-depth: 450.0
  959. dipole: 0.7
  960. polarizability: 10.32
  961. rotational-relaxation: 1.0
  962. note: T05/02
  963. - name: C5H5
  964. composition: {C: 5, H: 5}
  965. thermo:
  966. model: NASA7
  967. temperature-ranges: [298.15, 969.35, 3500.0]
  968. data:
  969. - [-3.97555377, 0.0741370931, -1.11803328e-04, 9.04628594e-08, -2.80999678e-11,
  970. 3.01769404e+04, 36.7153605]
  971. - [1.33675715, 0.0324793912, -1.67587774e-05, 4.03514137e-09, -3.70739036e-13,
  972. 3.00730525e+04, 16.0315806]
  973. transport:
  974. model: gas
  975. geometry: nonlinear
  976. diameter: 5.2
  977. well-depth: 408.0
  978. dipole: 0.419
  979. polarizability: 8.0
  980. rotational-relaxation: 1.0
  981. note: TAK0505
  982. - name: C4H5-N
  983. composition: {C: 4, H: 5}
  984. thermo:
  985. model: NASA7
  986. temperature-ranges: [300.0, 1000.0, 3000.0]
  987. data:
  988. - [-0.657590703, 0.0465379868, -5.28574743e-05, 3.69627358e-08, -1.13120066e-11,
  989. 4.1504119e+04, 26.8753359]
  990. - [9.8501978, 0.010779008, -1.3672125e-06, -7.7200535e-10, 1.8366314e-13,
  991. 3.88469506e+04, -25.9917181]
  992. transport:
  993. model: gas
  994. geometry: nonlinear
  995. diameter: 5.1
  996. well-depth: 329.0
  997. rotational-relaxation: 1.0
  998. note: H6W/94
  999. - name: C2H5OH
  1000. composition: {C: 2, H: 6, O: 1}
  1001. thermo:
  1002. model: NASA7
  1003. temperature-ranges: [200.0, 1000.0, 6000.0]
  1004. data:
  1005. - [4.8586957, -3.7401726e-03, 6.9555378e-05, -8.8654796e-08, 3.5168835e-11,
  1006. -2.9996132e+04, 4.8018545]
  1007. - [6.5624365, 0.015204222, -5.3896795e-06, 8.6225011e-10, -5.1289787e-14,
  1008. -3.1525621e+04, -9.4730202]
  1009. transport:
  1010. model: gas
  1011. geometry: nonlinear
  1012. diameter: 4.41
  1013. well-depth: 470.6
  1014. rotational-relaxation: 1.5
  1015. note: l8/88
  1016. - name: SC2H4OH
  1017. composition: {C: 2, H: 5, O: 1}
  1018. thermo:
  1019. model: NASA7
  1020. temperature-ranges: [200.0, 1000.0, 6000.0]
  1021. data:
  1022. - [4.2228325, 5.12174798e-03, 3.48386522e-05, -4.91943637e-08, 2.01183723e-11,
  1023. -8205.03939, 8.016757]
  1024. - [6.35842302, 0.0124356276, -4.33096839e-06, 6.84530381e-10, -4.03713238e-14,
  1025. -9379.00432, -6.05106112]
  1026. transport:
  1027. model: gas
  1028. geometry: nonlinear
  1029. diameter: 4.41
  1030. well-depth: 470.6
  1031. rotational-relaxation: 1.5
  1032. note: t10/04
  1033. - name: CH3CHO
  1034. composition: {C: 2, H: 4, O: 1}
  1035. thermo:
  1036. model: NASA7
  1037. temperature-ranges: [200.0, 1000.0, 6000.0]
  1038. data:
  1039. - [4.7294595, -3.1932858e-03, 4.7534921e-05, -5.7458611e-08, 2.1931112e-11,
  1040. -2.1572878e+04, 4.1030159]
  1041. - [5.4041108, 0.011723059, -4.2263137e-06, 6.8372451e-10, -4.0984863e-14,
  1042. -2.2593122e+04, -3.4807917]
  1043. transport:
  1044. model: gas
  1045. geometry: nonlinear
  1046. diameter: 3.97
  1047. well-depth: 436.0
  1048. rotational-relaxation: 2.0
  1049. note: L8/88
  1050. - name: C3H4
  1051. composition: {C: 3, H: 4}
  1052. thermo:
  1053. model: NASA7
  1054. temperature-ranges: [300.0, 1000.0, 5000.0]
  1055. data:
  1056. - [2.6130445, 0.012122575, 1.853988e-05, -3.4525149e-08, 1.5335079e-11,
  1057. 2.1541567e+04, 10.226139]
  1058. - [6.3168722, 0.011133728, -3.9629378e-06, 6.3564238e-10, -3.787554e-14,
  1059. 2.0117495e+04, -10.995766]
  1060. transport:
  1061. model: gas
  1062. geometry: linear
  1063. diameter: 4.29
  1064. well-depth: 324.8
  1065. rotational-relaxation: 1.0
  1066. note: '000000'
  1067. - name: C3H3
  1068. composition: {C: 3, H: 3}
  1069. thermo:
  1070. model: NASA7
  1071. temperature-ranges: [200.0, 1000.0, 6000.0]
  1072. data:
  1073. - [1.35110873, 0.0327411291, -4.73827407e-05, 3.7631022e-08, -1.18541128e-11,
  1074. 4.07679941e+04, 15.2058598]
  1075. - [7.14221719, 7.61902211e-03, -2.6746003e-06, 4.24914904e-10, -2.51475443e-14,
  1076. 3.95709594e+04, -12.584869]
  1077. transport:
  1078. model: gas
  1079. geometry: linear
  1080. diameter: 4.29
  1081. well-depth: 324.8
  1082. rotational-relaxation: 1.0
  1083. note: T7/11
  1084. - name: C3H5
  1085. composition: {C: 3, H: 5}
  1086. thermo:
  1087. model: NASA7
  1088. temperature-ranges: [300.0, 1000.0, 3000.0]
  1089. data:
  1090. - [1.3631835, 0.019813821, 1.249706e-05, -3.3355555e-08, 1.5846571e-11,
  1091. 1.9245629e+04, 17.173214]
  1092. - [6.5007877, 0.014324731, -5.6781632e-06, 1.1080801e-09, -9.0363887e-14,
  1093. 1.7482449e+04, -11.24305]
  1094. transport:
  1095. model: gas
  1096. geometry: nonlinear
  1097. diameter: 4.22
  1098. well-depth: 316.0
  1099. rotational-relaxation: 1.0
  1100. note: PD5/98
  1101. - name: C3H8
  1102. composition: {C: 3, H: 8}
  1103. thermo:
  1104. model: NASA7
  1105. temperature-ranges: [300.0, 1390.0, 5000.0]
  1106. data:
  1107. - [0.24087847, 0.0339548599, -1.60930874e-05, 2.83480628e-09, 2.78195172e-14,
  1108. -1.40362853e+04, 21.65008]
  1109. - [9.1554131, 0.0172574139, -5.85614868e-06, 9.04190155e-10, -5.22523772e-14,
  1110. -1.75762439e+04, -27.741851]
  1111. transport:
  1112. model: gas
  1113. geometry: nonlinear
  1114. diameter: 4.81
  1115. well-depth: 303.4
  1116. rotational-relaxation: 1.0
  1117. note: 8/12/15
  1118. - name: I-C3H7
  1119. composition: {C: 3, H: 7}
  1120. thermo:
  1121. model: NASA7
  1122. temperature-ranges: [300.0, 1000.0, 5000.0]
  1123. data:
  1124. - [1.4449199, 0.020999112, 7.7036222e-06, -1.8476253e-08, 7.1282962e-12,
  1125. 9422.3724, 20.116317]
  1126. - [6.5192741, 0.017220104, -5.7364217e-06, 8.4130732e-10, -4.4565913e-14,
  1127. 7322.7193, -9.0830215]
  1128. transport:
  1129. model: gas
  1130. geometry: nonlinear
  1131. diameter: 4.81
  1132. well-depth: 303.4
  1133. rotational-relaxation: 1.0
  1134. note: '000000'
  1135. - name: N-C3H7
  1136. composition: {C: 3, H: 7}
  1137. thermo:
  1138. model: NASA7
  1139. temperature-ranges: [300.0, 1000.0, 5000.0]
  1140. data:
  1141. - [1.0491173, 0.026008973, 2.3542516e-06, -1.9595132e-08, 9.3720207e-12,
  1142. 1.0312346e+04, 21.136034]
  1143. - [7.7097479, 0.016031485, -5.2720238e-06, 7.5888352e-10, -3.8862719e-14,
  1144. 7976.2236, -15.515297]
  1145. transport:
  1146. model: gas
  1147. geometry: nonlinear
  1148. diameter: 4.81
  1149. well-depth: 303.4
  1150. rotational-relaxation: 1.0
  1151. note: '000000'
  1152. - name: C3H6OOH
  1153. composition: {C: 3, H: 7, O: 2}
  1154. thermo:
  1155. model: NASA7
  1156. temperature-ranges: [300.0, 1000.0, 5000.0]
  1157. data:
  1158. - [1.91005011, 0.0411666833, -2.51630217e-05, 7.11856873e-09, -6.98838732e-13,
  1159. -1793.05093, 23.4514457]
  1160. - [14.613998, 0.0143723015, -4.88635144e-06, 7.5651962e-10, -4.38364992e-14,
  1161. -6461.01457, -45.7478245]
  1162. transport:
  1163. model: gas
  1164. geometry: nonlinear
  1165. diameter: 4.82
  1166. well-depth: 487.9
  1167. rotational-relaxation: 1.0
  1168. note: '000000'
  1169. - name: OC3H5OOH
  1170. composition: {C: 3, H: 6, O: 3}
  1171. thermo:
  1172. model: NASA7
  1173. temperature-ranges: [300.0, 1000.0, 5000.0]
  1174. data:
  1175. - [0.768933034, 0.054690588, -4.65072405e-05, 2.03159585e-08, -3.58398999e-12,
  1176. -3.63238861e+04, 26.8291637]
  1177. - [17.0285271, 0.0130716784, -4.59310856e-06, 7.26135156e-10, -4.26658337e-14,
  1178. -4.16334217e+04, -59.2513577]
  1179. transport:
  1180. model: gas
  1181. geometry: nonlinear
  1182. diameter: 4.82
  1183. well-depth: 487.9
  1184. rotational-relaxation: 1.0
  1185. note: '000000'
  1186. - name: CH2CHO
  1187. composition: {C: 2, H: 3, O: 1}
  1188. thermo:
  1189. model: NASA7
  1190. temperature-ranges: [200.0, 1000.0, 6000.0]
  1191. data:
  1192. - [2.795026, 0.0101099472, 1.61750645e-05, -3.10303145e-08, 1.39436139e-11,
  1193. 162.944975, 12.3646657]
  1194. - [6.53928338, 7.80238629e-03, -2.76413612e-06, 4.42098906e-10, -2.6295429e-14,
  1195. -1188.58659, -8.72091393]
  1196. transport:
  1197. model: gas
  1198. geometry: nonlinear
  1199. diameter: 3.97
  1200. well-depth: 436.0
  1201. rotational-relaxation: 2.0
  1202. note: T03/10
  1203. - name: C2H6
  1204. composition: {C: 2, H: 6}
  1205. thermo:
  1206. model: NASA7
  1207. temperature-ranges: [200.0, 1000.0, 6000.0]
  1208. data:
  1209. - [4.29142572, -5.50154901e-03, 5.99438458e-05, -7.08466469e-08, 2.68685836e-11,
  1210. -1.15222056e+04, 2.66678994]
  1211. - [4.04666411, 0.0153538802, -5.47039485e-06, 8.77826544e-10, -5.23167531e-14,
  1212. -1.24473499e+04, -0.968698313]
  1213. transport:
  1214. model: gas
  1215. geometry: nonlinear
  1216. diameter: 4.35
  1217. well-depth: 247.5
  1218. rotational-relaxation: 1.5
  1219. note: G8/88
  1220. - name: N2
  1221. composition: {N: 2}
  1222. thermo:
  1223. model: NASA7
  1224. temperature-ranges: [200.0, 1000.0, 6000.0]
  1225. data:
  1226. - [3.53100528, -1.23660988e-04, -5.02999433e-07, 2.43530612e-09, -1.40881235e-12,
  1227. -1046.97628, 2.96747038]
  1228. - [2.95257637, 1.3969004e-03, -4.92631603e-07, 7.86010195e-11, -4.60755204e-15,
  1229. -923.948688, 5.87188762]
  1230. transport:
  1231. model: gas
  1232. geometry: linear
  1233. diameter: 3.621
  1234. well-depth: 97.53
  1235. polarizability: 1.76
  1236. rotational-relaxation: 4.0
  1237. note: G8/02
  1238. reactions:
  1239. - equation: C3H4 + O <=> C2H4 + CO # Reaction 1
  1240. rate-constant: {A: 2.0e+07, b: 1.8, Ea: 1000.0}
  1241. - equation: CH3 + C2H2 <=> C3H4 + H # Reaction 2
  1242. rate-constant: {A: 2.56e+09, b: 1.1, Ea: 1.364388e+04}
  1243. - equation: C3H4 + O <=> HCCO + CH3 # Reaction 3
  1244. rate-constant: {A: 7.3e+12, b: 0.0, Ea: 2250.0}
  1245. - equation: C3H3 + H (+ M) <=> C3H4 (+ M) # Reaction 4
  1246. type: falloff
  1247. low-P-rate-constant: {A: 9.0e+15, b: 1.0, Ea: 0.0}
  1248. high-P-rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
  1249. Troe: {A: 0.5, T3: 1.0e+30, T1: 1.0e-30}
  1250. - equation: C3H3 + HO2 <=> C3H4 + O2 # Reaction 5
  1251. rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0}
  1252. - equation: C3H4 + OH <=> C3H3 + H2O # Reaction 6
  1253. rate-constant: {A: 5.3e+06, b: 2.0, Ea: 2000.0}
  1254. - equation: C3H3 + O2 <=> CH2CO + HCO # Reaction 7
  1255. rate-constant: {A: 3.0e+10, b: 0.0, Ea: 2868.07}
  1256. - equation: C3H4 + H (+ M) <=> C3H5 (+ M) # Reaction 8
  1257. type: falloff
  1258. low-P-rate-constant: {A: 3.0e+24, b: -2.0, Ea: 0.0}
  1259. high-P-rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0}
  1260. Troe: {A: 0.8, T3: 1.0e+30, T1: 1.0e-30}
  1261. - equation: C3H5 + H <=> C3H4 + H2 # Reaction 9
  1262. rate-constant: {A: 1.8e+13, b: 0.0, Ea: 0.0}
  1263. - equation: C3H5 + O2 <=> C3H4 + HO2 # Reaction 10
  1264. rate-constant: {A: 4.99e+15, b: -1.4, Ea: 2.242806e+04}
  1265. - equation: C3H5 + CH3 <=> C3H4 + CH4 # Reaction 11
  1266. rate-constant: {A: 3.0e+12, b: -0.32, Ea: -130.98}
  1267. - equation: C2H2 + CH3 (+ M) <=> C3H5 (+ M) # Reaction 12
  1268. type: falloff
  1269. low-P-rate-constant: {A: 2.0e+09, b: 1.0, Ea: 0.0}
  1270. high-P-rate-constant: {A: 6.0e+08, b: 0.0, Ea: 0.0}
  1271. Troe: {A: 0.5, T3: 1.0e+30, T1: 1.0e-30}
  1272. - equation: C3H5 + OH <=> C3H4 + H2O # Reaction 13
  1273. rate-constant: {A: 6.0e+12, b: 0.0, Ea: 0.0}
  1274. - equation: C3H3 + HCO <=> C3H4 + CO # Reaction 14
  1275. rate-constant: {A: 2.5e+13, b: 0.0, Ea: 0.0}
  1276. - equation: C3H3 + HO2 <=> OH + CO + C2H3 # Reaction 15
  1277. rate-constant: {A: 8.0e+11, b: 0.0, Ea: 0.0}
  1278. - equation: C3H4 + O2 <=> CH3 + HCO + CO # Reaction 16
  1279. rate-constant: {A: 4.0e+14, b: 0.0, Ea: 4.1826e+04}
  1280. - equation: C3H6 + O <=> C2H5 + HCO # Reaction 17
  1281. rate-constant: {A: 3.5e+07, b: 1.65, Ea: -972.75}
  1282. - equation: C3H6 + OH <=> C3H5 + H2O # Reaction 18
  1283. rate-constant: {A: 3.1e+06, b: 2.0, Ea: -298.28}
  1284. - equation: C3H6 + O <=> CH2CO + CH3 + H # Reaction 19
  1285. rate-constant: {A: 1.2e+08, b: 1.65, Ea: 327.44}
  1286. - equation: C3H6 + H <=> C3H5 + H2 # Reaction 20
  1287. rate-constant: {A: 1.7e+05, b: 2.5, Ea: 2492.83}
  1288. - equation: C3H5 + H (+ M) <=> C3H6 (+ M) # Reaction 21
  1289. type: falloff
  1290. low-P-rate-constant: {A: 1.33e+60, b: -12.0, Ea: 5967.97}
  1291. high-P-rate-constant: {A: 2.0e+14, b: 0.0, Ea: 0.0}
  1292. Troe: {A: 0.02, T3: 1097.0, T1: 1097.0, T2: 6860.0}
  1293. efficiencies: {AR: 0.7, C2H6: 3.0, CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0,
  1294. H2O: 6.0}
  1295. - equation: C3H5 + HO2 <=> C3H6 + O2 # Reaction 22
  1296. rate-constant: {A: 2.66e+12, b: 0.0, Ea: 0.0}
  1297. - equation: C3H5 + HO2 <=> OH + C2H3 + CH2O # Reaction 23
  1298. rate-constant: {A: 3.0e+12, b: 0.0, Ea: 0.0}
  1299. - equation: C2H3 + CH3 (+ M) <=> C3H6 (+ M) # Reaction 24
  1300. type: falloff
  1301. low-P-rate-constant: {A: 4.27e+58, b: -11.94, Ea: 9770.55}
  1302. high-P-rate-constant: {A: 2.5e+13, b: 0.0, Ea: 0.0}
  1303. Troe: {A: 0.175, T3: 1341.0, T1: 6.0e+04, T2: 1.014e+04}
  1304. efficiencies: {AR: 0.7, C2H6: 3.0, CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0,
  1305. H2O: 6.0}
  1306. - equation: C3H6 + H <=> C2H4 + CH3 # Reaction 25
  1307. rate-constant: {A: 1.6e+22, b: -2.39, Ea: 1.118547e+04}
  1308. - equation: CH3 + C2H3 <=> C3H5 + H # Reaction 26
  1309. rate-constant: {A: 1.5e+24, b: -2.83, Ea: 1.861855e+04}
  1310. - equation: C3H8 (+ M) <=> CH3 + C2H5 (+ M) # Reaction 27
  1311. type: falloff
  1312. low-P-rate-constant: {A: 7.83e+18, b: 0.0, Ea: 6.497801e+04}
  1313. high-P-rate-constant: {A: 1.1e+17, b: 0.0, Ea: 8.439293e+04}
  1314. Troe: {A: 0.76, T3: 1900.0, T1: 38.0}
  1315. - equation: C3H8 + O2 <=> I-C3H7 + HO2 # Reaction 28
  1316. rate-constant: {A: 4.0e+13, b: 0.0, Ea: 4.75e+04}
  1317. - equation: C3H8 + O2 <=> N-C3H7 + HO2 # Reaction 29
  1318. rate-constant: {A: 4.0e+13, b: 0.0, Ea: 5.093212e+04}
  1319. - equation: C3H8 + H <=> I-C3H7 + H2 # Reaction 30
  1320. rate-constant: {A: 1.3e+06, b: 2.4, Ea: 4471.08}
  1321. - equation: C3H8 + H <=> N-C3H7 + H2 # Reaction 31
  1322. rate-constant: {A: 1.33e+06, b: 2.54, Ea: 6761.47}
  1323. - equation: C3H8 + O <=> I-C3H7 + OH # Reaction 32
  1324. rate-constant: {A: 4.76e+04, b: 2.71, Ea: 2107.31}
  1325. - equation: C3H8 + O <=> N-C3H7 + OH # Reaction 33
  1326. rate-constant: {A: 1.9e+05, b: 2.68, Ea: 3718.45}
  1327. - equation: C3H8 + OH <=> N-C3H7 + H2O # Reaction 34
  1328. rate-constant: {A: 1.0e+10, b: 1.0, Ea: 1599.9}
  1329. - equation: C3H8 + OH <=> I-C3H7 + H2O # Reaction 35
  1330. rate-constant: {A: 2.0e+07, b: -1.6, Ea: -99.9}
  1331. - equation: C3H8 + HO2 <=> I-C3H7 + H2O2 # Reaction 36
  1332. rate-constant: {A: 9640.0, b: 2.6, Ea: 1.39173e+04}
  1333. - equation: C3H8 + HO2 <=> N-C3H7 + H2O2 # Reaction 37
  1334. rate-constant: {A: 4.76e+04, b: 2.55, Ea: 1.64914e+04}
  1335. - equation: I-C3H7 + C3H8 <=> N-C3H7 + C3H8 # Reaction 38
  1336. rate-constant: {A: 8.4e-03, b: 4.2, Ea: 8675.91}
  1337. - equation: C3H6 + H (+ M) <=> I-C3H7 (+ M) # Reaction 39
  1338. type: falloff
  1339. low-P-rate-constant: {A: 8.7e+42, b: -7.5, Ea: 4732.31}
  1340. high-P-rate-constant: {A: 1.33e+13, b: 0.0, Ea: 1560.71}
  1341. Troe: {A: 1.0, T3: 1000.0, T1: 645.4, T2: 6844.0}
  1342. efficiencies: {AR: 0.7, C2H6: 3.0, CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0,
  1343. H2O: 6.0}
  1344. - equation: I-C3H7 + O2 <=> C3H6 + HO2 # Reaction 40
  1345. rate-constant: {A: 1.3e+11, b: 0.0, Ea: 0.0}
  1346. - equation: N-C3H7 (+ M) <=> CH3 + C2H4 (+ M) # Reaction 41
  1347. type: falloff
  1348. low-P-rate-constant: {A: 5.49e+49, b: -10.0, Ea: 3.577892e+04}
  1349. high-P-rate-constant: {A: 1.23e+13, b: -0.1, Ea: 3.021033e+04}
  1350. Troe: {A: -1.17, T3: 251.0, T1: 1.0e-15, T2: 1185.0}
  1351. - equation: H + C3H6 (+ M) <=> N-C3H7 (+ M) # Reaction 42
  1352. type: falloff
  1353. low-P-rate-constant: {A: 6.26e+38, b: -6.66, Ea: 7000.48}
  1354. high-P-rate-constant: {A: 1.33e+13, b: 0.0, Ea: 3260.04}
  1355. Troe: {A: 1.0, T3: 1000.0, T1: 1310.0, T2: 4.81e+04}
  1356. efficiencies: {AR: 0.7, C2H6: 3.0, CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0,
  1357. H2O: 6.0}
  1358. - equation: N-C3H7 + O2 <=> C3H6 + HO2 # Reaction 43
  1359. rate-constant: {A: 3.5e+16, b: -1.6, Ea: 3500.0}
  1360. - equation: N-C3H7 + O2 <=> C3H6OOH # Reaction 44
  1361. rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0}
  1362. - equation: C3H6OOH <=> C3H6 + HO2 # Reaction 45
  1363. rate-constant: {A: 2.5e+35, b: -8.3, Ea: 2.2e+04}
  1364. - equation: C3H6OOH + O2 <=> OC3H5OOH + OH # Reaction 46
  1365. rate-constant: {A: 1.5e+08, b: 0.0, Ea: -7000.0}
  1366. - equation: OC3H5OOH <=> CH2CHO + CH2O + OH # Reaction 47
  1367. rate-constant: {A: 1.0e+15, b: 0.0, Ea: 4.3e+04}
  1368. - equation: C6H5CH3 + OH <=> C6H5CH2 + H2O # Reaction 48
  1369. rate-constant: {A: 7.7e+04, b: 1.39, Ea: -602.0}
  1370. - equation: C6H5CH3 + O2 <=> C6H5CH2 + HO2 # Reaction 49
  1371. rate-constant: {A: 1.5e+06, b: 2.0, Ea: 3.0e+04}
  1372. - equation: C6H5CH2 + OH <=> C6H5CHO + H2 # Reaction 50
  1373. rate-constant: {A: 3.0e+14, b: 0.0, Ea: 0.0}
  1374. - equation: C6H5CH2 + HO2 <=> C6H5CHO + H2O # Reaction 51
  1375. rate-constant: {A: 3.0e+14, b: 0.0, Ea: 0.0}
  1376. - equation: C6H5CH2 + O <=> C6H5CHO + H # Reaction 52
  1377. rate-constant: {A: 2.11e+15, b: 0.0, Ea: 0.0}
  1378. - equation: C6H5CH2 + O <=> C6H5 + CH2O # Reaction 53
  1379. rate-constant: {A: 5.95e+13, b: 0.0, Ea: 0.0}
  1380. - equation: C6H5CH3 (+ M) <=> C6H5CH2 + H (+ M) # Reaction 54
  1381. type: falloff
  1382. low-P-rate-constant: {A: 1.0e+98, b: -22.9, Ea: 9.99e+04}
  1383. high-P-rate-constant: {A: 2.78e+15, b: 0.17, Ea: 9.12e+04}
  1384. Troe: {A: 0.0655, T3: 15.1, T1: 1.0e+10, T2: 7.6e+07}
  1385. - equation: C6H5CH3 (+ M) <=> C6H5 + CH3 (+ M) # Reaction 55
  1386. type: falloff
  1387. low-P-rate-constant: {A: 1.0e+98, b: -23.0, Ea: 1.22e+05}
  1388. high-P-rate-constant: {A: 1.95e+27, b: -3.16, Ea: 1.07e+05}
  1389. Troe: {A: 0.705, T3: 1.0e+10, T1: 460.0, T2: 8.21e+09}
  1390. - equation: C6H5CH3 + H <=> C6H6 + CH3 # Reaction 56
  1391. rate-constant: {A: 9.49e+05, b: 2.0, Ea: 944.0}
  1392. - equation: C6H5CHO + H <=> C6H5CO + H2 # Reaction 57
  1393. rate-constant: {A: 1.31e+05, b: 2.58, Ea: 1220.0}
  1394. - equation: C6H5CHO + OH <=> C6H5CO + H2O # Reaction 58
  1395. rate-constant: {A: 3.37e+12, b: 0.0, Ea: -619.0}
  1396. - equation: C6H5 + CO <=> C6H5CO # Reaction 59
  1397. rate-constant: {A: 1.7e+12, b: 0.63, Ea: 1.69e+04}
  1398. - equation: C6H5 + H (+ M) <=> C6H6 (+ M) # Reaction 60
  1399. type: falloff
  1400. low-P-rate-constant: {A: 6.6e+77, b: -16.3, Ea: 7000.0}
  1401. high-P-rate-constant: {A: 1.0e+16, b: 0.0, Ea: 0.0}
  1402. Troe: {A: 1.0, T3: 0.1, T1: 585.0, T2: 6110.0}
  1403. efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
  1404. - equation: C6H6 + H <=> C6H5 + H2 # Reaction 61
  1405. rate-constant: {A: 2.5e+14, b: 0.0, Ea: 1.6e+04}
  1406. - equation: C6H6 + O <=> C6H5 + OH # Reaction 62
  1407. rate-constant: {A: 2.0e+13, b: 0.0, Ea: 1.47e+04}
  1408. - equation: C6H6 + OH <=> C6H5 + H2O # Reaction 63
  1409. rate-constant: {A: 1.2, b: 4.1, Ea: -301.0}
  1410. - equation: C6H5 + O2 <=> C6H5O + O # Reaction 64
  1411. rate-constant: {A: 6.0e+15, b: 0.0, Ea: 1.12e+04}
  1412. - equation: C6H5O <=> CO + C5H5 # Reaction 65
  1413. rate-constant: {A: 2.0e+13, b: 0.0, Ea: 3.5e+04}
  1414. - equation: C5H5 + O <=> C4H5-N + CO # Reaction 66
  1415. rate-constant: {A: 3.2e+13, b: -0.17, Ea: 440.0}
  1416. - equation: C2H3 + C2H2 <=> C4H5-N # Reaction 67
  1417. type: pressure-dependent-Arrhenius
  1418. rate-constants:
  1419. - {P: 0.0132 atm, A: 1.1e+31, b: -7.14, Ea: 5600.0}
  1420. - {P: 0.0263 atm, A: 1.1e+32, b: -7.33, Ea: 6200.0}
  1421. - {P: 0.12 atm, A: 2.4e+31, b: -6.95, Ea: 5600.0}
  1422. - {P: 1.0 atm, A: 9.3e+38, b: -8.76, Ea: 1.2e+04}
  1423. - {P: 10.0 atm, A: 8.1e+37, b: -8.09, Ea: 1.34e+04}
  1424. - equation: NC7H16 + O2 => NC7H15 + HO2 # Reaction 68
  1425. rate-constant: {A: 9.0e+13, b: 0.0, Ea: 5.0424099e+04}
  1426. - equation: NC7H15 + HO2 => NC7H16 + O2 # Reaction 69
  1427. rate-constant: {A: 6.0e+11, b: 0.0, Ea: 1172.53}
  1428. - equation: NC7H16 + OH => NC7H15 + H2O # Reaction 70
  1429. rate-constant: {A: 1.0e+14, b: 0.0, Ea: 2906.981}
  1430. - equation: NC7H16 + HO2 => NC7H15 + H2O2 # Reaction 71
  1431. rate-constant: {A: 6.0e+12, b: 0.0, Ea: 1.9534197e+04}
  1432. - equation: NC7H15 + O2 => NC7H15OO # Reaction 72
  1433. rate-constant: {A: 9.0e+12, b: 0.0, Ea: 0.0}
  1434. - equation: NC7H15OO => NC7H15 + O2 # Reaction 73
  1435. rate-constant: {A: 1.25e+15, b: 0.0, Ea: 3.35108e+04}
  1436. - equation: NC7H15OO <=> NC7H14OOH # Reaction 74
  1437. rate-constant: {A: 1.2e+11, b: 0.0, Ea: 2.1350315e+04}
  1438. - equation: NC7H14OOH + O2 => OONC7H14OOH # Reaction 75
  1439. rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0}
  1440. - equation: OONC7H14OOH => NC7H14OOH + O2 # Reaction 76
  1441. rate-constant: {A: 4.44e+10, b: 0.0, Ea: 2.2957798e+04}
  1442. - equation: OONC7H14OOH => NC7KET + OH # Reaction 77
  1443. rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.8345971e+04}
  1444. - equation: NC7KET => OH + CH2O + NC5H11CO # Reaction 78
  1445. rate-constant: {A: 4.0e+15, b: 0.0, Ea: 3.9e+04}
  1446. - equation: NC5H11CO + O2 => IC3H7 + C2H3 + CO + HO2 # Reaction 79
  1447. rate-constant: {A: 3.16e+13, b: 0.0, Ea: 1.0e+04}
  1448. - equation: NC7H15OO <=> NC7H14 + HO2 # Reaction 80
  1449. rate-constant: {A: 2.8e+12, b: 0.0, Ea: 2.8e+04}
  1450. - equation: NC7H14 + O2 => C3H6 + C2H5 + CH2O + HCO # Reaction 81
  1451. rate-constant: {A: 3.16e+13, b: 0.0, Ea: 1.0e+04}
  1452. - equation: NC7H15 => C3H6 + C2H5 + C2H4 # Reaction 82
  1453. rate-constant: {A: 5.0e+08, b: 0.0, Ea: 1.0e+04}
  1454. - equation: IC8H18 + HO2 => C8H17 + H2O2 # Reaction 83
  1455. rate-constant: {A: 5.0e+13, b: 0.0, Ea: 1.874e+04}
  1456. - equation: C8H17 + H2O2 => IC8H18 + HO2 # Reaction 84
  1457. rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.04e+04}
  1458. - equation: IC8H18 + O2 => C8H17 + HO2 # Reaction 85
  1459. rate-constant: {A: 1.0e+14, b: 0.0, Ea: 5.0271e+04}
  1460. - equation: C8H17 + HO2 => IC8H18 + O2 # Reaction 86
  1461. rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1475.0}
  1462. - equation: IC8H18 + OH => C8H17 + H2O # Reaction 87
  1463. rate-constant: {A: 1.46e+08, b: 2.03, Ea: 0.0}
  1464. - equation: C8H17 + H2O => IC8H18 + OH # Reaction 88
  1465. rate-constant: {A: 5.0e+15, b: 0.0, Ea: 2.565e+04}
  1466. - equation: C8H17 => IC3H7 + C3H6 + C2H4 # Reaction 89
  1467. rate-constant: {A: 3.0e+13, b: -1.27, Ea: 1.0e+04}
  1468. - equation: C8H17 + O2 => C8H17O2 # Reaction 90
  1469. rate-constant: {A: 2.5e+12, b: 0.0, Ea: 465.0}
  1470. - equation: C8H17O2 => C8H17 + O2 # Reaction 91
  1471. rate-constant: {A: 2.5e+15, b: 0.0, Ea: 3.13e+04}
  1472. - equation: C8H17O2 => C8H16OOH # Reaction 92
  1473. rate-constant: {A: 2.86e+10, b: 1.23, Ea: 2.2e+04}
  1474. - equation: C8H16OOH => C8H17O2 # Reaction 93
  1475. rate-constant: {A: 1.372338e+08, b: 1.2849540893983, Ea: 6835.5605796388}
  1476. - equation: C8H17O2 <=> C8H16 + HO2 # Reaction 94
  1477. type: pressure-dependent-Arrhenius
  1478. rate-constants:
  1479. - {P: 10.0 atm, A: 2.0e+14, b: 0.0, Ea: 2.6056e+04}
  1480. - {P: 20.0 atm, A: 2.5e+14, b: 0.0, Ea: 2.6056e+04}
  1481. - {P: 40.0 atm, A: 3.5e+14, b: 0.0, Ea: 2.6056e+04}
  1482. - equation: C8H16OOH + O2 => C8H16OOH-O2 # Reaction 95
  1483. rate-constant: {A: 3.0e+14, b: 0.0, Ea: 0.0}
  1484. - equation: C8H16OOH-O2 => C8H16OOH + O2 # Reaction 96
  1485. rate-constant: {A: 2.0e+15, b: 0.0, Ea: 3.39e+04}
  1486. - equation: C8H16OOH-O2 <=> IC8KET + OH # Reaction 97
  1487. rate-constant: {A: 2.53e+12, b: 0.0, Ea: 2.6e+04}
  1488. - equation: C8H16 + O2 => IC3H7 + CH4 + C2H2 + CH2O + HCO # Reaction 98
  1489. rate-constant: {A: 3.16e+13, b: 0.0, Ea: 1.0e+04}
  1490. - equation: IC8KET => CH2O + CH3 + OH + C4H8-1 + CH2CO # Reaction 99
  1491. rate-constant: {A: 1.0e+16, b: 0.0, Ea: 4.16e+04}
  1492. - equation: H2 + M <=> H + H + M # Reaction 100
  1493. type: three-body
  1494. rate-constant: {A: 4.577e+19, b: -1.4, Ea: 1.044e+05}
  1495. efficiencies: {CH4: 2.0, CO: 1.9, CO2: 3.8, H2: 2.5, H2O: 12.0}
  1496. - equation: H2 + O <=> H + OH # Reaction 101
  1497. rate-constant: {A: 5.08e+04, b: 2.67, Ea: 6292.0}
  1498. - equation: H2 + OH <=> H + H2O # Reaction 102
  1499. rate-constant: {A: 4.38e+13, b: 0.0, Ea: 6990.0}
  1500. - equation: O + O + M <=> O2 + M # Reaction 103
  1501. type: three-body
  1502. rate-constant: {A: 6.165e+15, b: -0.5, Ea: 0.0}
  1503. efficiencies: {CH4: 2.0, CO: 1.9, CO2: 3.8, H2: 2.5, H2O: 12.0}
  1504. - equation: O2 + H <=> O + OH # Reaction 104
  1505. rate-constant: {A: 1.04e+14, b: 0.0, Ea: 1.5286e+04}
  1506. - equation: H + OH + M <=> H2O + M # Reaction 105
  1507. type: three-body
  1508. rate-constant: {A: 3.5e+22, b: -2.0, Ea: 0.0}
  1509. efficiencies: {CH4: 2.0, H2: 0.73, H2O: 3.65}
  1510. - equation: O + H2O <=> OH + OH # Reaction 106
  1511. rate-constant: {A: 6.7e+07, b: 1.704, Ea: 1.49868e+04}
  1512. - equation: O + H + M <=> OH + M # Reaction 107
  1513. type: three-body
  1514. rate-constant: {A: 4.714e+18, b: -1.0, Ea: 0.0}
  1515. efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.5, H2O: 12.0}
  1516. - equation: H2O2 (+ M) <=> OH + OH (+ M) # Reaction 108
  1517. type: falloff
  1518. low-P-rate-constant: {A: 2.49e+24, b: -2.3, Ea: 4.8749e+04}
  1519. high-P-rate-constant: {A: 2.0e+12, b: 0.9, Ea: 4.8749e+04}
  1520. Troe: {A: 0.43, T3: 1.0e-30, T1: 1.0e+30}
  1521. efficiencies: {CO: 2.8, CO2: 1.6, H2: 3.7, H2O: 7.65, H2O2: 7.7, O2: 1.2}
  1522. - equation: H2O2 + H <=> H2O + OH # Reaction 109
  1523. rate-constant: {A: 2.41e+13, b: 0.0, Ea: 3970.0}
  1524. - equation: H2O2 + H <=> H2 + HO2 # Reaction 110
  1525. rate-constant: {A: 2.15e+10, b: 1.0, Ea: 6000.0}
  1526. - equation: H2O2 + O <=> OH + HO2 # Reaction 111
  1527. rate-constant: {A: 9.55e+06, b: 2.0, Ea: 3970.0}
  1528. - equation: H2O2 + OH <=> H2O + HO2 # Reaction 112
  1529. rate-constant: {A: 1.74e+12, b: 0.0, Ea: 318.0}
  1530. duplicate: true
  1531. - equation: H2O2 + OH <=> H2O + HO2 # Reaction 113
  1532. rate-constant: {A: 7.59e+13, b: 0.0, Ea: 7269.0}
  1533. duplicate: true
  1534. - equation: HO2 + H <=> OH + OH # Reaction 114
  1535. rate-constant: {A: 7.079e+13, b: 0.0, Ea: 295.0}
  1536. - equation: HO2 + H <=> H2 + O2 # Reaction 115
  1537. rate-constant: {A: 1.1402e+10, b: 1.0827, Ea: 553.78}
  1538. - equation: HO2 + O <=> OH + O2 # Reaction 116
  1539. rate-constant: {A: 3.25e+13, b: 0.0, Ea: 0.0}
  1540. - equation: OH + HO2 <=> H2O + O2 # Reaction 117
  1541. rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1092.96}
  1542. duplicate: true
  1543. - equation: OH + HO2 <=> H2O + O2 # Reaction 118
  1544. rate-constant: {A: 4.5e+14, b: 0.0, Ea: 1.09296e+04}
  1545. duplicate: true
  1546. - equation: HO2 + HO2 <=> H2O2 + O2 # Reaction 119
  1547. rate-constant: {A: 1.0e+14, b: 0.0, Ea: 1.10408832e+04}
  1548. duplicate: true
  1549. - equation: HO2 + HO2 <=> H2O2 + O2 # Reaction 120
  1550. rate-constant: {A: 1.9e+11, b: 0.0, Ea: -1408.9248}
  1551. duplicate: true
  1552. - equation: H + O2 (+ M) <=> HO2 (+ M) # Reaction 121
  1553. type: falloff
  1554. low-P-rate-constant: {A: 1.737e+19, b: -1.23, Ea: 0.0}
  1555. high-P-rate-constant: {A: 4.65e+12, b: 0.44, Ea: 0.0}
  1556. Troe: {A: 0.67, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30}
  1557. efficiencies: {CH4: 2.0, CO: 1.9, CO2: 3.8, H2: 1.3, H2O: 10.0}
  1558. - equation: CO + O (+ M) <=> CO2 (+ M) # Reaction 122
  1559. type: falloff
  1560. low-P-rate-constant: {A: 1.173e+24, b: -2.79, Ea: 4191.0}
  1561. high-P-rate-constant: {A: 1.362e+10, b: 0.0, Ea: 2384.0}
  1562. efficiencies: {CO: 1.75, CO2: 3.6, H2: 2.0, H2O: 12.0}
  1563. - equation: CO + OH <=> CO2 + H # Reaction 123
  1564. rate-constant: {A: 7.015e+04, b: 2.053, Ea: -355.7}
  1565. duplicate: true
  1566. - equation: CO + OH <=> CO2 + H # Reaction 124
  1567. rate-constant: {A: 5.757e+12, b: -0.664, Ea: 331.8}
  1568. duplicate: true
  1569. - equation: CO + HO2 <=> CO2 + OH # Reaction 125
  1570. rate-constant: {A: 1.57e+05, b: 2.18, Ea: 1.794e+04}
  1571. - equation: CO + O2 <=> CO2 + O # Reaction 126
  1572. rate-constant: {A: 1.119e+12, b: 0.0, Ea: 4.77e+04}
  1573. - equation: CH3 + H (+ M) <=> CH4 (+ M) # Reaction 127
  1574. type: falloff
  1575. low-P-rate-constant: {A: 2.477e+33, b: -4.76, Ea: 2440.0}
  1576. high-P-rate-constant: {A: 1.27e+16, b: -0.63, Ea: 383.0}
  1577. Troe: {A: 0.783, T3: 74.0, T1: 2941.0, T2: 6964.0}
  1578. efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
  1579. - equation: CH4 + H <=> CH3 + H2 # Reaction 128
  1580. rate-constant: {A: 6.14e+05, b: 2.5, Ea: 9587.0}
  1581. - equation: CH4 + O <=> CH3 + OH # Reaction 129
  1582. rate-constant: {A: 1.02e+09, b: 1.5, Ea: 8600.0}
  1583. - equation: CH4 + OH <=> CH3 + H2O # Reaction 130
  1584. rate-constant: {A: 5.83e+04, b: 2.6, Ea: 2190.0}
  1585. - equation: CH4 + HO2 <=> CH3 + H2O2 # Reaction 131
  1586. rate-constant: {A: 11.3, b: 3.74, Ea: 2.101e+04}
  1587. - equation: CH3 + HO2 <=> CH4 + O2 # Reaction 132
  1588. rate-constant: {A: 1.16e+05, b: 2.23, Ea: -3022.0}
  1589. - equation: CH4 + CH2 <=> CH3 + CH3 # Reaction 133
  1590. rate-constant: {A: 2.46e+06, b: 2.0, Ea: 8270.0}
  1591. - equation: CH2 + H (+ M) <=> CH3 (+ M) # Reaction 134
  1592. type: falloff
  1593. low-P-rate-constant: {A: 3.2e+27, b: -3.14, Ea: 1230.0}
  1594. high-P-rate-constant: {A: 2.5e+16, b: -0.8, Ea: 0.0}
  1595. Troe: {A: 0.68, T3: 78.0, T1: 1995.0, T2: 5590.0}
  1596. efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
  1597. - equation: CH2 + O2 <=> HCO + OH # Reaction 135
  1598. rate-constant: {A: 1.06e+13, b: 0.0, Ea: 1500.0}
  1599. - equation: CH2 + O2 => CO2 + H + H # Reaction 136
  1600. rate-constant: {A: 2.64e+12, b: 0.0, Ea: 1500.0}
  1601. - equation: CH2 + O => CO + H + H # Reaction 137
  1602. rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
  1603. - equation: CH2 + H <=> CH + H2 # Reaction 138
  1604. rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
  1605. - equation: CH2 + OH <=> CH + H2O # Reaction 139
  1606. rate-constant: {A: 1.13e+07, b: 2.0, Ea: 3000.0}
  1607. - equation: CH + O2 <=> HCO + O # Reaction 140
  1608. rate-constant: {A: 3.3e+13, b: 0.0, Ea: 0.0}
  1609. - equation: CH + O <=> CO + H # Reaction 141
  1610. rate-constant: {A: 5.7e+13, b: 0.0, Ea: 0.0}
  1611. - equation: CH + OH <=> HCO + H # Reaction 142
  1612. rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
  1613. - equation: CH + H2O <=> H + CH2O # Reaction 143
  1614. rate-constant: {A: 1.774e+16, b: -1.22, Ea: 23.8}
  1615. - equation: CH + CO2 <=> HCO + CO # Reaction 144
  1616. rate-constant: {A: 1.7e+12, b: 0.0, Ea: 685.0}
  1617. - equation: CH3 + O2 (+ M) <=> CH3O2 (+ M) # Reaction 145
  1618. type: falloff
  1619. low-P-rate-constant: {A: 6.85e+24, b: -3.0, Ea: 0.0}
  1620. high-P-rate-constant: {A: 7.812e+09, b: 0.9, Ea: 0.0}
  1621. Troe: {A: 0.6, T3: 1000.0, T1: 70.0, T2: 1700.0}
  1622. - equation: CH3 + O2 <=> CH3O + O # Reaction 146
  1623. rate-constant: {A: 7.546e+12, b: 0.0, Ea: 2.832e+04}
  1624. - equation: CH3 + O2 <=> CH2O + OH # Reaction 147
  1625. rate-constant: {A: 2.641, b: 3.283, Ea: 8105.0}
  1626. - equation: CH3 + O <=> CH2O + H # Reaction 148
  1627. rate-constant: {A: 5.54e+13, b: 0.05, Ea: -136.0}
  1628. - equation: CH3 + OH <=> CH2O + H2 # Reaction 149
  1629. type: pressure-dependent-Arrhenius
  1630. rate-constants:
  1631. - {P: 0.01 atm, A: 3.502e+05, b: 1.441, Ea: -3244.0}
  1632. - {P: 0.1 atm, A: 8.854e+05, b: 1.327, Ea: -2975.0}
  1633. - {P: 1.0 atm, A: 1.65e+07, b: 0.973, Ea: -2010.0}
  1634. - {P: 10.0 atm, A: 5.374e+09, b: 0.287, Ea: 280.0}
  1635. - {P: 100.0 atm, A: 9.494e+18, b: -2.199, Ea: 9769.0}
  1636. - equation: CH3 + OH <=> CH2OH + H # Reaction 150
  1637. type: pressure-dependent-Arrhenius
  1638. rate-constants:
  1639. - {P: 0.01 atm, A: 1.621e+10, b: 0.965, Ea: 3214.0}
  1640. - {P: 0.1 atm, A: 1.807e+10, b: 0.95, Ea: 3247.0}
  1641. - {P: 1.0 atm, A: 4.686e+10, b: 0.833, Ea: 3566.0}
  1642. - {P: 10.0 atm, A: 1.525e+13, b: 0.134, Ea: 5641.0}
  1643. - {P: 100.0 atm, A: 3.59e+14, b: -0.186, Ea: 8601.0}
  1644. - equation: CH3 + OH <=> H + CH3O # Reaction 151
  1645. type: pressure-dependent-Arrhenius
  1646. rate-constants:
  1647. - {P: 0.01 atm, A: 1.186e+09, b: 1.016, Ea: 1.194e+04}
  1648. - {P: 0.1 atm, A: 1.188e+09, b: 1.016, Ea: 1.194e+04}
  1649. - {P: 1.0 atm, A: 1.23e+09, b: 1.011, Ea: 1.195e+04}
  1650. - {P: 10.0 atm, A: 1.798e+09, b: 0.965, Ea: 1.206e+04}
  1651. - {P: 100.0 atm, A: 5.242e+10, b: 0.551, Ea: 1.307e+04}
  1652. - equation: CH3 + OH <=> CH2 + H2O # Reaction 152
  1653. rate-constant: {A: 4.293e+04, b: 2.568, Ea: 3997.8}
  1654. - equation: CH3 + HO2 <=> CH3O + OH # Reaction 153
  1655. rate-constant: {A: 1.0e+12, b: 0.269, Ea: -687.5}
  1656. - equation: CH3O2 + O <=> CH3O + O2 # Reaction 154
  1657. rate-constant: {A: 3.6e+13, b: 0.0, Ea: 0.0}
  1658. - equation: CH3O2 + H <=> CH3O + OH # Reaction 155
  1659. rate-constant: {A: 9.6e+13, b: 0.0, Ea: 0.0}
  1660. - equation: CH3O2 + OH <=> CH3OH + O2 # Reaction 156
  1661. rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0}
  1662. - equation: CH3O2 + CH3 <=> CH3O + CH3O # Reaction 157
  1663. rate-constant: {A: 5.08e+12, b: 0.0, Ea: -1411.0}
  1664. - equation: CH3O2 + CH3O2 => CH2O + CH3OH + O2 # Reaction 158
  1665. rate-constant: {A: 3.11e+14, b: -1.61, Ea: -1051.0}
  1666. - equation: CH3O2 + CH3O2 => O2 + CH3O + CH3O # Reaction 159
  1667. rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0}
  1668. - equation: CH3OH (+ M) <=> CH3 + OH (+ M) # Reaction 160
  1669. type: falloff
  1670. low-P-rate-constant: {A: 1.5e+43, b: -6.995, Ea: 9.79922e+04}
  1671. high-P-rate-constant: {A: 2.084e+18, b: -0.615, Ea: 9.25406e+04}
  1672. Troe: {A: -0.4748, T3: 3.558e+04, T1: 1116.0, T2: 9023.0}
  1673. - equation: CH3OH (+ M) <=> CH2OH + H (+ M) # Reaction 161
  1674. type: falloff
  1675. low-P-rate-constant: {A: 3.39e+42, b: -7.244, Ea: 1.052303e+05}
  1676. high-P-rate-constant: {A: 7.896e-03, b: 5.038, Ea: 8.44674e+04}
  1677. Troe: {A: -73.91, T3: 3.705e+04, T1: 4.15e+04, T2: 5220.0}
  1678. - equation: CH3OH + H <=> CH3O + H2 # Reaction 162
  1679. rate-constant: {A: 1.99e+05, b: 2.56, Ea: 1.03e+04}
  1680. - equation: CH3OH + H <=> CH2OH + H2 # Reaction 163
  1681. rate-constant: {A: 3.07e+05, b: 2.55, Ea: 5440.0}
  1682. - equation: CH3OH + O <=> CH3O + OH # Reaction 164
  1683. rate-constant: {A: 3.88e+04, b: 2.5, Ea: 3080.0}
  1684. - equation: CH3OH + O <=> CH2OH + OH # Reaction 165
  1685. rate-constant: {A: 3.88e+05, b: 2.5, Ea: 3080.0}
  1686. - equation: CH3OH + OH <=> CH3O + H2O # Reaction 166
  1687. rate-constant: {A: 150.0, b: 3.03, Ea: -763.0}
  1688. - equation: CH3OH + OH <=> CH2OH + H2O # Reaction 167
  1689. rate-constant: {A: 3.08e+04, b: 2.65, Ea: -806.7}
  1690. - equation: CH3OH + O2 <=> CH3O + HO2 # Reaction 168
  1691. rate-constant: {A: 3.58e+04, b: 2.27, Ea: 4.27645e+04}
  1692. - equation: CH3OH + O2 <=> CH2OH + HO2 # Reaction 169
  1693. rate-constant: {A: 3.58e+05, b: 2.27, Ea: 4.27645e+04}
  1694. - equation: CH3OH + HO2 <=> CH3O + H2O2 # Reaction 170
  1695. rate-constant: {A: 1.22e+12, b: 0.0, Ea: 2.00707e+04}
  1696. - equation: CH3OH + HO2 <=> CH2OH + H2O2 # Reaction 171
  1697. rate-constant: {A: 3.26e+13, b: 0.0, Ea: 1.87822e+04}
  1698. - equation: CH3OH + CH3 <=> CH2OH + CH4 # Reaction 172
  1699. rate-constant: {A: 0.213, b: 3.953, Ea: 7055.1}
  1700. - equation: CH3OH + CH3 <=> CH3O + CH4 # Reaction 173
  1701. rate-constant: {A: 3220.0, b: 2.425, Ea: 8579.5}
  1702. - equation: CH3OH + HCO <=> CH2OH + CH2O # Reaction 174
  1703. rate-constant: {A: 9630.0, b: 2.9, Ea: 1.311e+04}
  1704. - equation: CH3OH + CH3O <=> CH2OH + CH3OH # Reaction 175
  1705. rate-constant: {A: 3.0e+11, b: 0.0, Ea: 4074.0}
  1706. - equation: CH2OH + O2 <=> CH2O + HO2 # Reaction 176
  1707. rate-constant: {A: 1.51e+15, b: -1.0, Ea: 0.0}
  1708. duplicate: true
  1709. - equation: CH2OH + O2 <=> CH2O + HO2 # Reaction 177
  1710. rate-constant: {A: 2.41e+14, b: 0.0, Ea: 5017.0}
  1711. duplicate: true
  1712. - equation: CH2OH + H <=> CH2O + H2 # Reaction 178
  1713. rate-constant: {A: 6.0e+12, b: 0.0, Ea: 0.0}
  1714. - equation: CH2OH + HO2 <=> CH2O + H2O2 # Reaction 179
  1715. rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0}
  1716. - equation: CH2OH + HCO <=> CH2O + CH2O # Reaction 180
  1717. rate-constant: {A: 1.8e+14, b: 0.0, Ea: 0.0}
  1718. - equation: CH2OH + HCO <=> CH3OH + CO # Reaction 181
  1719. rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0}
  1720. - equation: CH2OH + CH3O <=> CH2O + CH3OH # Reaction 182
  1721. rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0}
  1722. - equation: CH2OH + OH <=> H2O + CH2O # Reaction 183
  1723. rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0}
  1724. - equation: CH2OH + O <=> OH + CH2O # Reaction 184
  1725. rate-constant: {A: 4.2e+13, b: 0.0, Ea: 0.0}
  1726. - equation: CH2OH + CH2OH <=> CH2O + CH3OH # Reaction 185
  1727. rate-constant: {A: 3.0e+12, b: 0.0, Ea: 0.0}
  1728. - equation: CH3O + O2 <=> CH2O + HO2 # Reaction 186
  1729. rate-constant: {A: 4.38e-19, b: 9.5, Ea: -5501.0}
  1730. - equation: CH3O + H <=> CH2O + H2 # Reaction 187
  1731. rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
  1732. - equation: CH3O + HO2 <=> CH2O + H2O2 # Reaction 188
  1733. rate-constant: {A: 3.01e+11, b: 0.0, Ea: 0.0}
  1734. - equation: CH3O + CH3 <=> CH2O + CH4 # Reaction 189
  1735. rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0}
  1736. - equation: CH3O + CH3O <=> CH3OH + CH2O # Reaction 190
  1737. rate-constant: {A: 6.03e+13, b: 0.0, Ea: 0.0}
  1738. - equation: HCO + H (+ M) <=> CH2O (+ M) # Reaction 191
  1739. type: falloff
  1740. low-P-rate-constant: {A: 1.35e+24, b: -2.57, Ea: 1425.0}
  1741. high-P-rate-constant: {A: 1.09e+12, b: 0.48, Ea: -260.0}
  1742. Troe: {A: 0.7824, T3: 271.0, T1: 2755.0, T2: 6570.0}
  1743. efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
  1744. - equation: CO + H2 (+ M) <=> CH2O (+ M) # Reaction 192
  1745. type: falloff
  1746. low-P-rate-constant: {A: 5.07e+27, b: -3.42, Ea: 8.4348e+04}
  1747. high-P-rate-constant: {A: 4.3e+07, b: 1.5, Ea: 7.96e+04}
  1748. Troe: {A: 0.932, T3: 197.0, T1: 1540.0, T2: 1.03e+04}
  1749. efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
  1750. - equation: CH2O + O2 <=> HCO + HO2 # Reaction 193
  1751. rate-constant: {A: 8.07e+15, b: 0.0, Ea: 5.342e+04}
  1752. - equation: CH2O + O <=> HCO + OH # Reaction 194
  1753. rate-constant: {A: 6.26e+09, b: 1.15, Ea: 2260.0}
  1754. - equation: CH2O + H <=> HCO + H2 # Reaction 195
  1755. rate-constant: {A: 5.74e+07, b: 1.9, Ea: 2740.0}
  1756. - equation: CH2O + OH <=> HCO + H2O # Reaction 196
  1757. rate-constant: {A: 7.82e+04, b: 1.63, Ea: -1055.0}
  1758. - equation: CH2O + HO2 <=> HCO + H2O2 # Reaction 197
  1759. rate-constant: {A: 1.88e+04, b: 2.7, Ea: 1.152e+04}
  1760. - equation: CH2O + CH3 <=> HCO + CH4 # Reaction 198
  1761. rate-constant: {A: 38.3, b: 3.36, Ea: 4312.0}
  1762. - equation: CH2O + CH3O <=> HCO + CH3OH # Reaction 199
  1763. rate-constant: {A: 6.62e+11, b: 0.0, Ea: 2294.0}
  1764. - equation: HCO + M <=> H + CO + M # Reaction 200
  1765. type: three-body
  1766. rate-constant: {A: 5.7e+11, b: 0.66, Ea: 1.487e+04}
  1767. efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
  1768. - equation: HCO + O2 <=> CO + HO2 # Reaction 201
  1769. rate-constant: {A: 7.58e+12, b: 0.0, Ea: 410.0}
  1770. - equation: HCO + O <=> CO + OH # Reaction 202
  1771. rate-constant: {A: 3.02e+13, b: 0.0, Ea: 0.0}
  1772. - equation: HCO + H <=> CO + H2 # Reaction 203
  1773. rate-constant: {A: 7.34e+13, b: 0.0, Ea: 0.0}
  1774. - equation: HCO + OH <=> CO + H2O # Reaction 204
  1775. rate-constant: {A: 3.011e+13, b: 0.0, Ea: 0.0}
  1776. - equation: HCO + CH3 <=> CH4 + CO # Reaction 205
  1777. rate-constant: {A: 2.65e+13, b: 0.0, Ea: 0.0}
  1778. - equation: HCO + HCO <=> CH2O + CO # Reaction 206
  1779. rate-constant: {A: 1.8e+13, b: 0.0, Ea: 0.0}
  1780. - equation: HCO + O <=> CO2 + H # Reaction 207
  1781. rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
  1782. - equation: HCO + HO2 => CO2 + H + OH # Reaction 208
  1783. rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
  1784. - equation: HCO + HCO => H2 + CO + CO # Reaction 209
  1785. rate-constant: {A: 3.0e+12, b: 0.0, Ea: 0.0}
  1786. - equation: CH2O + H (+ M) <=> CH2OH (+ M) # Reaction 210
  1787. type: falloff
  1788. low-P-rate-constant: {A: 1.27e+32, b: -4.82, Ea: 6530.0}
  1789. high-P-rate-constant: {A: 5.4e+11, b: 0.454, Ea: 3600.0}
  1790. Troe: {A: 0.7187, T3: 103.0, T1: 1291.0, T2: 4160.0}
  1791. efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
  1792. - equation: CH3O (+ M) <=> CH2O + H (+ M) # Reaction 211
  1793. type: falloff
  1794. low-P-rate-constant: {A: 1.867e+25, b: -3.0, Ea: 2.4307e+04}
  1795. high-P-rate-constant: {A: 6.8e+13, b: 0.0, Ea: 2.617e+04}
  1796. Troe: {A: 0.9, T3: 2500.0, T1: 1300.0, T2: 1.0e+99}
  1797. efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
  1798. - equation: C2H4 + H (+ M) <=> C2H5 (+ M) # Reaction 212
  1799. type: falloff
  1800. low-P-rate-constant: {A: 1.419e+39, b: -6.642, Ea: 5769.0}
  1801. high-P-rate-constant: {A: 9.569e+08, b: 1.463, Ea: 1355.0}
  1802. Troe: {A: -0.569, T3: 299.0, T1: -9147.0, T2: 152.4}
  1803. efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
  1804. - equation: C2H5 + H <=> C2H4 + H2 # Reaction 213
  1805. rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0}
  1806. - equation: C2H4 + C2H4 <=> C2H5 + C2H3 # Reaction 214
  1807. rate-constant: {A: 4.82e+14, b: 0.0, Ea: 7.153e+04}
  1808. - equation: C2H5 + CH3 <=> CH4 + C2H4 # Reaction 215
  1809. rate-constant: {A: 1.18e+04, b: 2.45, Ea: -2921.0}
  1810. - equation: CH3 + CH3 <=> H + C2H5 # Reaction 216
  1811. type: pressure-dependent-Arrhenius
  1812. rate-constants:
  1813. - {P: 0.01 atm, A: 4.74e+12, b: 0.105, Ea: 1.06643e+04}
  1814. - {P: 0.1 atm, A: 2.57e+13, b: -0.096, Ea: 1.14061e+04}
  1815. - {P: 1.0 atm, A: 3.1e+14, b: -0.362, Ea: 1.33725e+04}
  1816. - {P: 10.0 atm, A: 2.15e+10, b: 0.885, Ea: 1.35325e+04}
  1817. - {P: 100.0 atm, A: 103.2, b: 3.23, Ea: 1.12361e+04}
  1818. - equation: C2H5 + O2 <=> C2H4 + HO2 # Reaction 217
  1819. type: pressure-dependent-Arrhenius
  1820. rate-constants:
  1821. - {P: 0.04 atm, A: 2.094e+09, b: 0.49, Ea: -391.4}
  1822. - {P: 1.0 atm, A: 1.843e+07, b: 1.13, Ea: -720.6}
  1823. - {P: 10.0 atm, A: 7.561e+14, b: -1.01, Ea: 4749.0}
  1824. - equation: C2H3 + H (+ M) <=> C2H4 (+ M) # Reaction 218
  1825. type: falloff
  1826. low-P-rate-constant: {A: 1.4e+30, b: -3.86, Ea: 3320.0}
  1827. high-P-rate-constant: {A: 6.08e+12, b: 0.27, Ea: 280.0}
  1828. Troe: {A: 0.782, T3: 207.5, T1: 2663.0, T2: 6095.0}
  1829. efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
  1830. - equation: C2H4 + O2 <=> C2H3 + HO2 # Reaction 219
  1831. rate-constant: {A: 4.22e+13, b: 0.0, Ea: 5.76231e+04}
  1832. - equation: C2H4 + H <=> C2H3 + H2 # Reaction 220
  1833. rate-constant: {A: 5.07e+07, b: 1.93, Ea: 1.295e+04}
  1834. - equation: C2H4 + OH <=> C2H3 + H2O # Reaction 221
  1835. rate-constant: {A: 6.69e+04, b: 2.745, Ea: 2215.5}
  1836. - equation: C2H4 + CH3O <=> C2H3 + CH3OH # Reaction 222
  1837. rate-constant: {A: 1.2e+11, b: 0.0, Ea: 6750.0}
  1838. - equation: C2H4 + CH3 <=> C2H3 + CH4 # Reaction 223
  1839. rate-constant: {A: 976.0, b: 2.947, Ea: 1.5148e+04}
  1840. duplicate: true
  1841. - equation: C2H4 + CH3 <=> C2H3 + CH4 # Reaction 224
  1842. rate-constant: {A: 8.13e-05, b: 4.417, Ea: 8835.8}
  1843. duplicate: true
  1844. - equation: C2H4 + O <=> CH3 + HCO # Reaction 225
  1845. rate-constant: {A: 7.453e+06, b: 1.88, Ea: 183.0}
  1846. - equation: CH + CH4 <=> C2H4 + H # Reaction 226
  1847. rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0}
  1848. - equation: C2H4 + OH <=> CH3 + CH2O # Reaction 227
  1849. type: pressure-dependent-Arrhenius
  1850. rate-constants:
  1851. - {P: 0.01 atm, A: 5.35, b: 2.92, Ea: -1732.7}
  1852. - {P: 0.025 atm, A: 31.9, b: 2.71, Ea: -1172.3}
  1853. - {P: 0.1 atm, A: 555.0, b: 2.36, Ea: -180.8}
  1854. - {P: 1.0 atm, A: 1.78e+05, b: 1.68, Ea: 2060.5}
  1855. - {P: 10.0 atm, A: 2.37e+09, b: 0.56, Ea: 6006.7}
  1856. - {P: 100.0 atm, A: 2.76e+13, b: -0.5, Ea: 1.14551e+04}
  1857. - equation: C2H2 + H (+ M) <=> C2H3 (+ M) # Reaction 228
  1858. type: falloff
  1859. low-P-rate-constant: {A: 6.346e+31, b: -4.664, Ea: 3780.0}
  1860. high-P-rate-constant: {A: 1.71e+10, b: 1.266, Ea: 2709.0}
  1861. Troe: {A: 0.788, T3: -1.02e+04, T1: 1.0e-30}
  1862. efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
  1863. - equation: C2H3 + O2 <=> C2H2 + HO2 # Reaction 229
  1864. type: pressure-dependent-Arrhenius
  1865. duplicate: true
  1866. rate-constants:
  1867. - {P: 0.01 atm, A: 1.08e+07, b: 1.28, Ea: 3322.0}
  1868. - {P: 0.1 atm, A: 7.75e+06, b: 1.33, Ea: 3216.0}
  1869. - {P: 0.316 atm, A: 1.21e+07, b: 1.27, Ea: 3311.0}
  1870. - {P: 1.0 atm, A: 2.15e+07, b: 1.19, Ea: 3367.0}
  1871. - {P: 3.16 atm, A: 1.13e+08, b: 1.0, Ea: 3695.0}
  1872. - {P: 10.0 atm, A: 1.31e+11, b: 0.12, Ea: 5872.0}
  1873. - {P: 31.6 atm, A: 1.19e+09, b: 0.82, Ea: 5617.0}
  1874. - {P: 100.0 atm, A: 1.06e+17, b: -1.45, Ea: 1.223e+04}
  1875. - equation: C2H3 + O2 <=> C2H2 + HO2 # Reaction 230
  1876. type: pressure-dependent-Arrhenius
  1877. duplicate: true
  1878. rate-constants:
  1879. - {P: 0.01 atm, A: 47.6, b: 2.75, Ea: -796.4}
  1880. - {P: 0.1 atm, A: 51.6, b: 2.73, Ea: -768.3}
  1881. - {P: 0.316 atm, A: 55.5, b: 2.73, Ea: -658.5}
  1882. - {P: 1.0 atm, A: 46.0, b: 2.76, Ea: -492.8}
  1883. - {P: 3.16 atm, A: 3.75, b: 3.07, Ea: -601.0}
  1884. - {P: 10.0 atm, A: 5.48, b: 3.07, Ea: 85.7}
  1885. - {P: 31.6 atm, A: 4.47e+08, b: 0.0, Ea: 955.0}
  1886. - {P: 100.0 atm, A: 20.2, b: 2.94, Ea: 1847.0}
  1887. - equation: C2H3 + O2 <=> CH2CO + OH # Reaction 231
  1888. type: pressure-dependent-Arrhenius
  1889. duplicate: true
  1890. rate-constants:
  1891. - {P: 0.01 atm, A: 866.0, b: 2.41, Ea: 6061.0}
  1892. - {P: 0.1 atm, A: 891.0, b: 2.41, Ea: 6078.0}
  1893. - {P: 0.316 atm, A: 943.0, b: 2.4, Ea: 6112.0}
  1894. - {P: 1.0 atm, A: 1060.0, b: 2.39, Ea: 6180.0}
  1895. - {P: 3.16 atm, A: 1090.0, b: 2.38, Ea: 6179.0}
  1896. - {P: 10.0 atm, A: 1390.0, b: 2.36, Ea: 6074.0}
  1897. - {P: 31.6 atm, A: 2.49e+06, b: 1.42, Ea: 8480.0}
  1898. - {P: 100.0 atm, A: 1.66e+10, b: 0.36, Ea: 1.201e+04}
  1899. - equation: C2H3 + O2 <=> CH2CO + OH # Reaction 232
  1900. type: pressure-dependent-Arrhenius
  1901. duplicate: true
  1902. rate-constants:
  1903. - {P: 0.01 atm, A: 0.182, b: 3.12, Ea: 1331.0}
  1904. - {P: 0.1 atm, A: 0.207, b: 3.11, Ea: 1383.0}
  1905. - {P: 0.316 atm, A: 0.271, b: 3.08, Ea: 1496.0}
  1906. - {P: 1.0 atm, A: 0.526, b: 3.01, Ea: 1777.0}
  1907. - {P: 3.16 atm, A: 1.37, b: 2.9, Ea: 2225.0}
  1908. - {P: 10.0 atm, A: 0.419, b: 2.93, Ea: 2052.0}
  1909. - {P: 31.6 atm, A: 1.19e-04, b: 4.21, Ea: 2043.0}
  1910. - {P: 100.0 atm, A: 1.3e-03, b: 3.97, Ea: 3414.0}
  1911. - equation: C2H3 + O2 <=> CH2O + HCO # Reaction 233
  1912. type: pressure-dependent-Arrhenius
  1913. duplicate: true
  1914. rate-constants:
  1915. - {P: 0.01 atm, A: 2.49e+36, b: -7.6, Ea: 1.264e+04}
  1916. - {P: 0.1 atm, A: 2.43e+36, b: -7.6, Ea: 1.261e+04}
  1917. - {P: 0.316 atm, A: 1.95e+36, b: -7.57, Ea: 1.249e+04}
  1918. - {P: 1.0 atm, A: 2.73e+35, b: -7.32, Ea: 1.182e+04}
  1919. - {P: 3.16 atm, A: 1.43e+36, b: -7.47, Ea: 1.246e+04}
  1920. - {P: 10.0 atm, A: 5.18e+35, b: -7.2, Ea: 1.343e+04}
  1921. - {P: 31.6 atm, A: 3.19e+20, b: -2.57, Ea: 5578.0}
  1922. - {P: 100.0 atm, A: 2.73e+33, b: -6.28, Ea: 1.6e+04}
  1923. - equation: C2H3 + O2 <=> CH2O + HCO # Reaction 234
  1924. type: pressure-dependent-Arrhenius
  1925. duplicate: true
  1926. rate-constants:
  1927. - {P: 0.01 atm, A: 4.54e+15, b: -1.28, Ea: 515.3}
  1928. - {P: 0.1 atm, A: 4.59e+15, b: -1.28, Ea: 513.0}
  1929. - {P: 0.316 atm, A: 4.81e+15, b: -1.29, Ea: 520.6}
  1930. - {P: 1.0 atm, A: 6.08e+15, b: -1.31, Ea: 645.7}
  1931. - {P: 3.16 atm, A: 9.45e+15, b: -1.36, Ea: 1066.0}
  1932. - {P: 10.0 atm, A: 2.56e+15, b: -1.18, Ea: 1429.0}
  1933. - {P: 31.6 atm, A: 1.03e+69, b: -19.23, Ea: 1.476e+04}
  1934. - {P: 100.0 atm, A: 4.21e+10, b: 0.19, Ea: 830.6}
  1935. - equation: C2H3 + O2 => CH2O + H + CO # Reaction 235
  1936. type: pressure-dependent-Arrhenius
  1937. duplicate: true
  1938. rate-constants:
  1939. - {P: 0.01 atm, A: 5.82e+36, b: -7.6, Ea: 1.264e+04}
  1940. - {P: 0.1 atm, A: 5.66e+36, b: -7.6, Ea: 1.261e+04}
  1941. - {P: 0.316 atm, A: 4.55e+36, b: -7.57, Ea: 1.249e+04}
  1942. - {P: 1.0 atm, A: 6.36e+35, b: -7.32, Ea: 1.182e+04}
  1943. - {P: 3.16 atm, A: 3.35e+36, b: -7.47, Ea: 1.246e+04}
  1944. - {P: 10.0 atm, A: 1.21e+36, b: -7.2, Ea: 1.343e+04}
  1945. - {P: 31.6 atm, A: 7.43e+20, b: -2.57, Ea: 5578.0}
  1946. - {P: 100.0 atm, A: 6.36e+33, b: -6.28, Ea: 1.6e+04}
  1947. - equation: C2H3 + O2 => CH2O + H + CO # Reaction 236
  1948. type: pressure-dependent-Arrhenius
  1949. duplicate: true
  1950. rate-constants:
  1951. - {P: 0.01 atm, A: 1.06e+16, b: -1.28, Ea: 515.3}
  1952. - {P: 0.1 atm, A: 1.07e+16, b: -1.28, Ea: 513.0}
  1953. - {P: 0.316 atm, A: 1.13e+16, b: -1.29, Ea: 520.6}
  1954. - {P: 1.0 atm, A: 1.42e+16, b: -1.31, Ea: 645.7}
  1955. - {P: 3.16 atm, A: 2.2e+16, b: -1.36, Ea: 1066.0}
  1956. - {P: 10.0 atm, A: 5.98e+15, b: -1.18, Ea: 1429.0}
  1957. - {P: 31.6 atm, A: 2.39e+69, b: -19.23, Ea: 1.476e+04}
  1958. - {P: 100.0 atm, A: 9.81e+10, b: 0.19, Ea: 830.6}
  1959. - equation: C2H3 + O2 <=> CO + CH3O # Reaction 237
  1960. type: pressure-dependent-Arrhenius
  1961. duplicate: true
  1962. rate-constants:
  1963. - {P: 0.01 atm, A: 8.19e+18, b: -2.66, Ea: 3201.0}
  1964. - {P: 0.1 atm, A: 4.06e+14, b: -1.32, Ea: 885.8}
  1965. - {P: 0.316 atm, A: 4.34e+14, b: -1.33, Ea: 900.6}
  1966. - {P: 1.0 atm, A: 1.03e+11, b: -0.33, Ea: -747.8}
  1967. - {P: 3.16 atm, A: 1.89e+12, b: -3.0, Ea: -8995.0}
  1968. - {P: 10.0 atm, A: 1.93e+24, b: -5.63, Ea: 1.8}
  1969. - {P: 31.6 atm, A: 1.1e+18, b: -2.22, Ea: 5178.0}
  1970. - {P: 100.0 atm, A: 5.79e+32, b: -6.45, Ea: 1.681e+04}
  1971. - equation: C2H3 + O2 <=> CO + CH3O # Reaction 238
  1972. type: pressure-dependent-Arrhenius
  1973. duplicate: true
  1974. rate-constants:
  1975. - {P: 0.01 atm, A: 1.29e+09, b: 0.18, Ea: -1717.0}
  1976. - {P: 0.1 atm, A: 5.99e+11, b: -2.93, Ea: -9564.0}
  1977. - {P: 0.316 atm, A: 2.91e+11, b: -2.93, Ea: -1.012e+04}
  1978. - {P: 1.0 atm, A: 5.77e+21, b: -3.54, Ea: 4772.0}
  1979. - {P: 3.16 atm, A: 4.99e+15, b: -1.62, Ea: 1849.0}
  1980. - {P: 10.0 atm, A: 9.33e+16, b: -1.96, Ea: 3324.0}
  1981. - {P: 31.6 atm, A: 1.02e+72, b: -20.69, Ea: 1.586e+04}
  1982. - {P: 100.0 atm, A: 1.1e+09, b: 0.31, Ea: 1024.0}
  1983. - equation: C2H3 + O2 <=> CO2 + CH3 # Reaction 239
  1984. type: pressure-dependent-Arrhenius
  1985. duplicate: true
  1986. rate-constants:
  1987. - {P: 0.01 atm, A: 2.37e+35, b: -7.76, Ea: 1.263e+04}
  1988. - {P: 0.1 atm, A: 1.73e+35, b: -7.72, Ea: 1.252e+04}
  1989. - {P: 0.316 atm, A: 4.47e+34, b: -7.55, Ea: 1.214e+04}
  1990. - {P: 1.0 atm, A: 7.25e+31, b: -6.7, Ea: 1.044e+04}
  1991. - {P: 3.16 atm, A: 3.63e+35, b: -7.75, Ea: 1.283e+04}
  1992. - {P: 10.0 atm, A: 2.09e+35, b: -7.53, Ea: 1.405e+04}
  1993. - {P: 31.6 atm, A: 3.84e+18, b: -2.44, Ea: 5408.0}
  1994. - {P: 100.0 atm, A: 1.21e+32, b: -6.32, Ea: 1.619e+04}
  1995. - equation: C2H3 + O2 <=> CO2 + CH3 # Reaction 240
  1996. type: pressure-dependent-Arrhenius
  1997. duplicate: true
  1998. rate-constants:
  1999. - {P: 0.01 atm, A: 6.27e+13, b: -1.16, Ea: 406.3}
  2000. - {P: 0.1 atm, A: 6.24e+13, b: -1.16, Ea: 401.4}
  2001. - {P: 0.316 atm, A: 6.12e+13, b: -1.16, Ea: 397.0}
  2002. - {P: 1.0 atm, A: 5.32e+13, b: -1.14, Ea: 446.7}
  2003. - {P: 3.16 atm, A: 1.45e+14, b: -1.26, Ea: 987.7}
  2004. - {P: 10.0 atm, A: 5.02e+13, b: -1.11, Ea: 1409.0}
  2005. - {P: 31.6 atm, A: 1.4e+70, b: -20.11, Ea: 1.543e+04}
  2006. - {P: 100.0 atm, A: 9.21e+08, b: 0.25, Ea: 855.3}
  2007. - equation: C2H3 + H <=> C2H2 + H2 # Reaction 241
  2008. rate-constant: {A: 1.7e+14, b: 0.0, Ea: 0.0}
  2009. - equation: C2H3 + OH <=> C2H2 + H2O # Reaction 242
  2010. rate-constant: {A: 3.011e+13, b: 0.0, Ea: 0.0}
  2011. - equation: C2H3 + CH3 <=> CH4 + C2H2 # Reaction 243
  2012. rate-constant: {A: 3.92e+11, b: 0.0, Ea: 0.0}
  2013. - equation: C2H3 + C2H3 <=> C2H2 + C2H4 # Reaction 244
  2014. rate-constant: {A: 9.6e+11, b: 0.0, Ea: 0.0}
  2015. - equation: C2H2 + O <=> CH2 + CO # Reaction 245
  2016. rate-constant: {A: 7.395e+08, b: 1.28, Ea: 2472.0}
  2017. - equation: C2H2 + O <=> HCCO + H # Reaction 246
  2018. rate-constant: {A: 2.958e+09, b: 1.28, Ea: 2472.0}
  2019. - equation: C2H2 + HO2 <=> CH2CO + OH # Reaction 247
  2020. rate-constant: {A: 6.03e+09, b: 0.0, Ea: 7949.0}
  2021. - equation: C2H2 + HCO <=> C2H3 + CO # Reaction 248
  2022. rate-constant: {A: 1.0e+07, b: 2.0, Ea: 6000.0}
  2023. - equation: C2H2 + OH <=> CH2CO + H # Reaction 249
  2024. type: pressure-dependent-Arrhenius
  2025. rate-constants:
  2026. - {P: 0.01 atm, A: 1578.0, b: 2.56, Ea: -844.5}
  2027. - {P: 0.025 atm, A: 1.518e+04, b: 2.28, Ea: -292.1}
  2028. - {P: 0.1 atm, A: 3.017e+05, b: 1.92, Ea: 598.1}
  2029. - {P: 1.0 atm, A: 7.528e+06, b: 1.55, Ea: 2106.0}
  2030. - {P: 10.0 atm, A: 5.101e+06, b: 1.65, Ea: 3400.0}
  2031. - {P: 100.0 atm, A: 1.457e+04, b: 2.45, Ea: 4477.0}
  2032. - equation: C2H2 + OH <=> CH3 + CO # Reaction 250
  2033. type: pressure-dependent-Arrhenius
  2034. rate-constants:
  2035. - {P: 0.01 atm, A: 4.757e+05, b: 1.68, Ea: -329.8}
  2036. - {P: 0.025 atm, A: 4.372e+06, b: 1.4, Ea: 226.5}
  2037. - {P: 0.1 atm, A: 7.648e+07, b: 1.05, Ea: 1115.0}
  2038. - {P: 1.0 atm, A: 1.277e+09, b: 0.73, Ea: 2579.0}
  2039. - {P: 10.0 atm, A: 4.312e+08, b: 0.92, Ea: 3736.0}
  2040. - {P: 100.0 atm, A: 8.25e+05, b: 1.77, Ea: 4697.0}
  2041. - equation: CH3CO (+ M) <=> CH3 + CO (+ M) # Reaction 251
  2042. type: falloff
  2043. low-P-rate-constant: {A: 5.65e+18, b: -0.97, Ea: 1.46e+04}
  2044. high-P-rate-constant: {A: 1.07e+12, b: 0.63, Ea: 1.69e+04}
  2045. Troe: {A: 0.629, T3: 8.73e+09, T1: 5.52, T2: 7.6e+07}
  2046. - equation: CH3CO (+ M) <=> CH2CO + H (+ M) # Reaction 252
  2047. type: falloff
  2048. low-P-rate-constant: {A: 1.516e+51, b: -10.27, Ea: 5.539e+04}
  2049. high-P-rate-constant: {A: 9.413e+07, b: 1.917, Ea: 4.49872e+04}
  2050. Troe: {A: 0.6009, T3: 8.103e+09, T1: 667.7, T2: 5.0e+09}
  2051. - equation: CH3CO + H <=> CH2CO + H2 # Reaction 253
  2052. rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
  2053. - equation: CH3CO + O <=> CH2CO + OH # Reaction 254
  2054. rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
  2055. - equation: CH3CO + CH3 <=> CH2CO + CH4 # Reaction 255
  2056. rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
  2057. - equation: CH2 + CO (+ M) <=> CH2CO (+ M) # Reaction 256
  2058. type: falloff
  2059. low-P-rate-constant: {A: 2.69e+33, b: -5.11, Ea: 7095.0}
  2060. high-P-rate-constant: {A: 8.1e+11, b: 0.0, Ea: 0.0}
  2061. Troe: {A: 0.5907, T3: 275.0, T1: 1226.0, T2: 5185.0}
  2062. efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
  2063. - equation: CH2CO + H <=> HCCO + H2 # Reaction 257
  2064. rate-constant: {A: 1.401e+15, b: -0.171, Ea: 8783.2}
  2065. - equation: CH2CO + O <=> HCCO + OH # Reaction 258
  2066. rate-constant: {A: 1.0e+13, b: 0.0, Ea: 8000.0}
  2067. - equation: CH2CO + OH <=> HCCO + H2O # Reaction 259
  2068. rate-constant: {A: 1.0e+13, b: 0.0, Ea: 2000.0}
  2069. - equation: CH2CO + H <=> CH3 + CO # Reaction 260
  2070. rate-constant: {A: 7.704e+13, b: -0.171, Ea: 4183.2}
  2071. - equation: CH + CH2O <=> H + CH2CO # Reaction 261
  2072. rate-constant: {A: 9.46e+13, b: 0.0, Ea: -515.0}
  2073. - equation: CH2CO + O <=> CH2 + CO2 # Reaction 262
  2074. rate-constant: {A: 1.75e+12, b: 0.0, Ea: 1350.0}
  2075. - equation: CH2CO + OH <=> CH2OH + CO # Reaction 263
  2076. rate-constant: {A: 2.0e+12, b: 0.0, Ea: -1010.0}
  2077. - equation: CH2CO + CH3 <=> C2H5 + CO # Reaction 264
  2078. rate-constant: {A: 4.769e+04, b: 2.312, Ea: 9468.0}
  2079. - equation: HCCO + OH => H2 + CO + CO # Reaction 265
  2080. rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0}
  2081. - equation: HCCO + O => H + CO + CO # Reaction 266
  2082. rate-constant: {A: 8.0e+13, b: 0.0, Ea: 0.0}
  2083. - equation: CH + CO + M <=> HCCO + M # Reaction 267
  2084. type: three-body
  2085. rate-constant: {A: 7.57e+22, b: -1.9, Ea: 0.0}
  2086. - equation: HCCO + O2 => OH + CO + CO # Reaction 268
  2087. rate-constant: {A: 1.91e+11, b: -0.02, Ea: 1020.0}
  2088. - equation: HCCO + O2 => CO2 + CO + H # Reaction 269
  2089. rate-constant: {A: 4.78e+12, b: -0.142, Ea: 1150.0}
  2090. - equation: CH + HCCO <=> CO + C2H2 # Reaction 270
  2091. rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
  2092. - equation: CH3O + HCO <=> CH3OH + CO # Reaction 271
  2093. rate-constant: {A: 9.0e+13, b: 0.0, Ea: 0.0}
  2094. - equation: IC3H7 + H <=> C2H5 + CH3 # Reaction 272
  2095. rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
  2096. - equation: IC3H7 + OH <=> C3H6 + H2O # Reaction 273
  2097. rate-constant: {A: 2.41e+13, b: 0.0, Ea: 0.0}
  2098. - equation: C2H3 + CH3 <=> C3H5-A + H # Reaction 274
  2099. type: pressure-dependent-Arrhenius
  2100. duplicate: true
  2101. rate-constants:
  2102. - {P: 0.01 atm, A: 4.12e+29, b: -4.95, Ea: 8000.0}
  2103. - {P: 0.1 atm, A: 4.86e+30, b: -5.03, Ea: 1.13e+04}
  2104. - {P: 1.0 atm, A: 5.3e+29, b: -4.57, Ea: 1.44e+04}
  2105. - {P: 10.0 atm, A: 1.32e+30, b: -4.54, Ea: 1.93e+04}
  2106. - {P: 100.0 atm, A: 5.16e+28, b: -4.03, Ea: 2.38e+04}
  2107. - equation: C2H3 + CH3 <=> C3H5-A + H # Reaction 275
  2108. type: pressure-dependent-Arrhenius
  2109. duplicate: true
  2110. rate-constants:
  2111. - {P: 0.01 atm, A: 5.73e+15, b: -0.77, Ea: 1195.9}
  2112. - {P: 0.1 atm, A: 2.06e+13, b: -0.074, Ea: 1428.7}
  2113. - {P: 1.0 atm, A: 4.48e+10, b: 0.6, Ea: 1421.6}
  2114. - {P: 10.0 atm, A: 4.1e+06, b: 1.71, Ea: 1056.9}
  2115. - {P: 100.0 atm, A: 0.137, b: 3.91, Ea: -353.55}
  2116. - equation: C3H6 <=> C2H3 + CH3 # Reaction 276
  2117. type: pressure-dependent-Arrhenius
  2118. rate-constants:
  2119. - {P: 0.01 atm, A: 1.88e+78, b: -18.7, Ea: 1.3e+05}
  2120. - {P: 0.1 atm, A: 8.73e+76, b: -17.9, Ea: 1.32e+05}
  2121. - {P: 1.0 atm, A: 5.8e+75, b: -17.2, Ea: 1.34e+05}
  2122. - {P: 10.0 atm, A: 8.12e+71, b: -15.8, Ea: 1.36e+05}
  2123. - {P: 100.0 atm, A: 2.15e+64, b: -13.4, Ea: 1.35e+05}
  2124. - equation: C3H6 <=> C3H5-A + H # Reaction 277
  2125. type: pressure-dependent-Arrhenius
  2126. duplicate: true
  2127. rate-constants:
  2128. - {P: 0.01 atm, A: 9.16e+74, b: -17.6, Ea: 1.2e+05}
  2129. - {P: 0.1 atm, A: 1.73e+70, b: -16.0, Ea: 1.2e+05}
  2130. - {P: 1.0 atm, A: 1.08e+71, b: -15.9, Ea: 1.2486e+05}
  2131. - {P: 10.0 atm, A: 6.4e+65, b: -14.2, Ea: 1.25e+05}
  2132. - {P: 100.0 atm, A: 8.05e+56, b: -11.5, Ea: 1.22e+05}
  2133. - equation: C3H6 <=> C3H5-A + H # Reaction 278
  2134. type: pressure-dependent-Arrhenius
  2135. duplicate: true
  2136. rate-constants:
  2137. - {P: 0.01 atm, A: 2.98e+54, b: -12.3, Ea: 1.012e+05}
  2138. - {P: 0.1 atm, A: 1.37e+43, b: -8.87, Ea: 9.6365e+04}
  2139. - {P: 1.0 atm, A: 6.28e+42, b: -8.51, Ea: 9.8004e+04}
  2140. - {P: 10.0 atm, A: 4.73e+35, b: -6.26, Ea: 9.5644e+04}
  2141. - {P: 100.0 atm, A: 4.34e+28, b: -4.06, Ea: 9.3114e+04}
  2142. - equation: C3H6 + H <=> C3H5-A + H2 # Reaction 279
  2143. rate-constant: {A: 3.644e+05, b: 2.455, Ea: 4361.2}
  2144. - equation: C3H6 + O2 <=> C3H5-A + HO2 # Reaction 280
  2145. rate-constant: {A: 5.96e+19, b: -1.67, Ea: 4.61921e+04}
  2146. - equation: C3H6 + O <=> C3H5-A + OH # Reaction 281
  2147. rate-constant: {A: 1.05e+11, b: 0.7, Ea: 5884.0}
  2148. - equation: C3H6 + OH <=> C3H5-A + H2O # Reaction 282
  2149. rate-constant: {A: 7.43e+05, b: 2.072, Ea: 1050.8}
  2150. - equation: C3H6 + HO2 <=> C3H5-A + H2O2 # Reaction 283
  2151. rate-constant: {A: 0.0307, b: 4.403, Ea: 1.35472e+04}
  2152. - equation: C3H6 + CH3 <=> C3H5-A + CH4 # Reaction 284
  2153. rate-constant: {A: 2.21, b: 3.5, Ea: 5675.0}
  2154. - equation: C3H6 + CH3O <=> C3H5-A + CH3OH # Reaction 285
  2155. rate-constant: {A: 8.4e+10, b: 0.0, Ea: 2600.0}
  2156. - equation: C3H6 + H <=> C2H4 + CH3 # Reaction 286
  2157. type: pressure-dependent-Arrhenius
  2158. duplicate: true
  2159. rate-constants:
  2160. - {P: 1.3e-03 atm, A: 1.54e+09, b: 1.35, Ea: 2542.0}
  2161. - {P: 0.04 atm, A: 7.88e+10, b: 0.87, Ea: 3599.6}
  2162. - {P: 1.0 atm, A: 2.67e+12, b: 0.47, Ea: 5431.1}
  2163. - {P: 10.0 atm, A: 9.25e+22, b: -2.6, Ea: 1.2898e+04}
  2164. - {P: 100.0 atm, A: 1.32e+23, b: -2.42, Ea: 1.65e+04}
  2165. - equation: C3H6 + H <=> C2H4 + CH3 # Reaction 287
  2166. type: pressure-dependent-Arrhenius
  2167. duplicate: true
  2168. rate-constants:
  2169. - {P: 1.3e-03 atm, A: 1.0e-10, b: 0.0, Ea: 0.0}
  2170. - {P: 0.04 atm, A: 1.0e-10, b: 0.0, Ea: 0.0}
  2171. - {P: 1.0 atm, A: 1.0e-10, b: 0.0, Ea: 0.0}
  2172. - {P: 10.0 atm, A: 1.24e+05, b: 2.52, Ea: 3679.1}
  2173. - {P: 100.0 atm, A: 2510.0, b: 2.91, Ea: 3980.9}
  2174. - equation: C3H6 + H <=> IC3H7 # Reaction 288
  2175. type: pressure-dependent-Arrhenius
  2176. duplicate: true
  2177. rate-constants:
  2178. - {P: 1.3e-03 atm, A: 1.35e+44, b: -10.68, Ea: 8196.4}
  2179. - {P: 0.04 atm, A: 2.11e+57, b: -14.23, Ea: 1.5147e+04}
  2180. - {P: 1.0 atm, A: 3.26e+61, b: -14.94, Ea: 2.0161e+04}
  2181. - {P: 10.0 atm, A: 5.3e+56, b: -13.12, Ea: 2.0667e+04}
  2182. - {P: 100.0 atm, A: 1.11e+50, b: -10.8, Ea: 2.0202e+04}
  2183. - equation: C3H6 + H <=> IC3H7 # Reaction 289
  2184. type: pressure-dependent-Arrhenius
  2185. duplicate: true
  2186. rate-constants:
  2187. - {P: 1.3e-03 atm, A: 2.17e+130, b: -32.58, Ea: 1.3614e+05}
  2188. - {P: 0.04 atm, A: 2.25e+29, b: -5.84, Ea: 4241.9}
  2189. - {P: 1.0 atm, A: 1.06e+30, b: -5.63, Ea: 5613.4}
  2190. - {P: 10.0 atm, A: 6.11e+26, b: -4.44, Ea: 5182.3}
  2191. - {P: 100.0 atm, A: 2.73e+23, b: -3.26, Ea: 4597.0}
  2192. - equation: C3H6 + HO2 <=> IC3H7 + O2 # Reaction 290
  2193. type: pressure-dependent-Arrhenius
  2194. rate-constants:
  2195. - {P: 0.013 atm, A: 1.02e+07, b: 1.16, Ea: 1.0273e+04}
  2196. - {P: 0.9869 atm, A: 1.31e+20, b: -2.58, Ea: 1.9078e+04}
  2197. - {P: 9.87 atm, A: 4.14e+28, b: -4.92, Ea: 2.6212e+04}
  2198. - {P: 98.69 atm, A: 8.87e+22, b: -3.09, Ea: 2.6586e+04}
  2199. - equation: C3H5-A + C2H5 <=> C2H4 + C3H6 # Reaction 291
  2200. rate-constant: {A: 4.0e+11, b: 0.0, Ea: 0.0}
  2201. - equation: C3H5-A + HCO <=> C3H6 + CO # Reaction 292
  2202. rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0}
  2203. - equation: C3H5-A + O2 <=> CH3CO + CH2O # Reaction 293
  2204. type: pressure-dependent-Arrhenius
  2205. rate-constants:
  2206. - {P: 1.0 atm, A: 1.19e+15, b: -1.01, Ea: 2.0128e+04}
  2207. - {P: 10.0 atm, A: 7.14e+15, b: -1.21, Ea: 2.1046e+04}
  2208. - equation: C2H3 + CH2O <=> C2H4 + HCO # Reaction 294
  2209. type: pressure-dependent-Arrhenius
  2210. rate-constants:
  2211. - {P: 1.0e-03 atm, A: 1.11e+07, b: 1.09, Ea: 1807.2}
  2212. - {P: 0.01 atm, A: 2.47e+07, b: 0.993, Ea: 1994.9}
  2213. - {P: 0.1 atm, A: 2.47e+08, b: 0.704, Ea: 2596.2}
  2214. - {P: 1.0 atm, A: 1.42e+10, b: 0.209, Ea: 3934.2}
  2215. - {P: 10.0 atm, A: 3.45e+13, b: -0.726, Ea: 6944.3}
  2216. - {P: 100.0 atm, A: 3.31e+14, b: -0.866, Ea: 1.09657e+04}
  2217. - {P: 1000.0 atm, A: 16.5, b: 3.17, Ea: 9399.8}
  2218. - equation: C2H2 + CH3 <=> C3H5-A # Reaction 295
  2219. type: pressure-dependent-Arrhenius
  2220. rate-constants:
  2221. - {P: 0.1 atm, A: 8.2e+53, b: -13.32, Ea: 3.32e+04}
  2222. - {P: 1.0 atm, A: 2.68e+53, b: -12.82, Ea: 3.573e+04}
  2223. - {P: 2.0 atm, A: 3.64e+52, b: -12.46, Ea: 3.6127e+04}
  2224. - {P: 5.0 atm, A: 1.04e+51, b: -11.89, Ea: 3.6476e+04}
  2225. - {P: 10.0 atm, A: 4.4e+49, b: -11.4, Ea: 3.67e+04}
  2226. - {P: 100.0 atm, A: 3.8e+44, b: -9.63, Ea: 3.76e+04}
  2227. - equation: C3H5-A + CH3 (+ M) <=> C4H8-1 (+ M) # Reaction 296
  2228. type: falloff
  2229. low-P-rate-constant: {A: 3.91e+60, b: -12.81, Ea: 6250.0}
  2230. high-P-rate-constant: {A: 1.0e+14, b: -0.32, Ea: -262.3}
  2231. Troe: {A: 0.104, T3: 1606.0, T1: 6.0e+04, T2: 6118.4}
  2232. efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
  2233. - equation: C2H5 + C2H3 (+ M) <=> C4H8-1 (+ M) # Reaction 297
  2234. type: falloff
  2235. low-P-rate-constant: {A: 1.55e+56, b: -11.79, Ea: 8984.5}
  2236. high-P-rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0}
  2237. Troe: {A: 0.198, T3: 2277.9, T1: 6.0e+04, T2: 5723.2}
  2238. efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
  2239. - equation: C4H8-1 + H <=> C2H4 + C2H5 # Reaction 298
  2240. type: pressure-dependent-Arrhenius
  2241. duplicate: true
  2242. rate-constants:
  2243. - {P: 1.0e-03 atm, A: 2.55e+06, b: 1.93, Ea: 5564.0}
  2244. - {P: 0.01 atm, A: 5.56e+06, b: 1.83, Ea: 5802.0}
  2245. - {P: 0.1 atm, A: 1.21e+09, b: 1.18, Ea: 7472.0}
  2246. - {P: 1.0 atm, A: 9.47e+16, b: -1.03, Ea: 1.3413e+04}
  2247. - {P: 10.0 atm, A: 4.5e+28, b: -4.24, Ea: 2.3618e+04}
  2248. - {P: 100.0 atm, A: 7.02e+32, b: -5.22, Ea: 3.1754e+04}
  2249. - equation: C4H8-1 + H <=> C2H4 + C2H5 # Reaction 299
  2250. type: pressure-dependent-Arrhenius
  2251. duplicate: true
  2252. rate-constants:
  2253. - {P: 1.0e-03 atm, A: 3.45e+07, b: 1.81, Ea: 2263.0}
  2254. - {P: 0.01 atm, A: 8.06e+07, b: 1.71, Ea: 2522.0}
  2255. - {P: 0.1 atm, A: 1.18e+10, b: 1.1, Ea: 4077.0}
  2256. - {P: 1.0 atm, A: 6.02e+15, b: -0.49, Ea: 8452.0}
  2257. - {P: 10.0 atm, A: 7.58e+21, b: -2.14, Ea: 1.4245e+04}
  2258. - {P: 100.0 atm, A: 2.29e+21, b: -1.87, Ea: 1.7243e+04}
  2259. - equation: C4H8-1 + H <=> C3H6 + CH3 # Reaction 300
  2260. type: pressure-dependent-Arrhenius
  2261. duplicate: true
  2262. rate-constants:
  2263. - {P: 1.0e-03 atm, A: 7.83e+09, b: 1.17, Ea: 1442.0}
  2264. - {P: 0.01 atm, A: 3.39e+10, b: 1.0, Ea: 1895.0}
  2265. - {P: 0.1 atm, A: 3.7e+13, b: 0.14, Ea: 4127.0}
  2266. - {P: 1.0 atm, A: 4.57e+19, b: -1.54, Ea: 9061.0}
  2267. - {P: 10.0 atm, A: 8.57e+23, b: -2.66, Ea: 1.414e+04}
  2268. - {P: 100.0 atm, A: 1.32e+20, b: -1.46, Ea: 1.5383e+04}
  2269. - equation: C4H8-1 + H <=> C3H6 + CH3 # Reaction 301
  2270. type: pressure-dependent-Arrhenius
  2271. duplicate: true
  2272. rate-constants:
  2273. - {P: 1.0e-03 atm, A: 1.8e+06, b: 1.76, Ea: 5900.0}
  2274. - {P: 0.01 atm, A: 3.46e+06, b: 1.68, Ea: 6100.0}
  2275. - {P: 0.1 atm, A: 4.02e+08, b: 1.1, Ea: 7574.0}
  2276. - {P: 1.0 atm, A: 1.21e+16, b: -0.99, Ea: 1.3175e+04}
  2277. - {P: 10.0 atm, A: 7.14e+27, b: -4.23, Ea: 2.3319e+04}
  2278. - {P: 100.0 atm, A: 1.0e+33, b: -5.49, Ea: 3.1922e+04}
  2279. - equation: C4H8-1 + O => CH2CO + C2H5 + H # Reaction 302
  2280. rate-constant: {A: 3.05e+06, b: 1.88, Ea: 183.0}
  2281. - equation: C2H5 + O <=> CH3CHO + H # Reaction 303
  2282. rate-constant: {A: 1.1e+14, b: 0.0, Ea: 0.0}
  2283. - equation: C2H5 + O2 <=> CH3CHO + OH # Reaction 304
  2284. type: pressure-dependent-Arrhenius
  2285. rate-constants:
  2286. - {P: 0.04 atm, A: 4.908e-06, b: 4.76, Ea: 254.3}
  2287. - {P: 1.0 atm, A: 0.06803, b: 3.57, Ea: 2643.0}
  2288. - {P: 10.0 atm, A: 826.5, b: 2.41, Ea: 5285.0}
  2289. - equation: CH3CHO (+ M) <=> CH3 + HCO (+ M) # Reaction 305
  2290. type: falloff
  2291. low-P-rate-constant: {A: 1.03e+59, b: -11.3, Ea: 9.59125e+04}
  2292. high-P-rate-constant: {A: 2.45e+22, b: -1.74, Ea: 8.6355e+04}
  2293. Troe: {A: 2.49e-03, T3: 718.1, T1: 6.089, T2: 3780.0}
  2294. - equation: CH3CHO (+ M) <=> CH4 + CO (+ M) # Reaction 306
  2295. type: falloff
  2296. low-P-rate-constant: {A: 1.144e+58, b: -11.3, Ea: 9.59125e+04}
  2297. high-P-rate-constant: {A: 2.72e+21, b: -1.74, Ea: 8.6355e+04}
  2298. Troe: {A: 2.49e-03, T3: 718.1, T1: 6.089, T2: 3780.0}
  2299. - equation: CH3CHO + H <=> CH3CO + H2 # Reaction 307
  2300. rate-constant: {A: 6.55e+04, b: 2.58, Ea: 1220.0}
  2301. - equation: CH3CHO + O <=> CH3CO + OH # Reaction 308
  2302. rate-constant: {A: 5.94e+12, b: 0.0, Ea: 1868.0}
  2303. - equation: CH3CHO + OH <=> CH3CO + H2O # Reaction 309
  2304. rate-constant: {A: 3.37e+12, b: 0.0, Ea: -619.0}
  2305. - equation: CH3CHO + O2 <=> CH3CO + HO2 # Reaction 310
  2306. rate-constant: {A: 3.01e+13, b: 0.0, Ea: 3.915e+04}
  2307. - equation: CH3CHO + CH3 <=> CH3CO + CH4 # Reaction 311
  2308. rate-constant: {A: 7.08e-04, b: 4.58, Ea: 1966.0}
  2309. - equation: CH3CHO + HO2 <=> CH3CO + H2O2 # Reaction 312
  2310. rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04}
  2311. - equation: C2H4 + OH <=> CH3CHO + H # Reaction 313
  2312. type: pressure-dependent-Arrhenius
  2313. rate-constants:
  2314. - {P: 0.01 atm, A: 2.37e-07, b: 5.3, Ea: -2050.6}
  2315. - {P: 0.025 atm, A: 8.73e-05, b: 4.57, Ea: -618.0}
  2316. - {P: 0.1 atm, A: 0.403, b: 3.54, Ea: 1881.7}
  2317. - {P: 1.0 atm, A: 0.0238, b: 3.91, Ea: 1722.7}
  2318. - {P: 10.0 atm, A: 8.25e+08, b: 1.01, Ea: 1.05073e+04}
  2319. - {P: 100.0 atm, A: 6.8e+09, b: 0.81, Ea: 1.38673e+04}
  2320. - equation: C2H5OH <=> C2H4 + H2O # Reaction 314
  2321. type: pressure-dependent-Arrhenius
  2322. rate-constants:
  2323. - {P: 1.0e-03 atm, A: 3.41e+59, b: -14.2, Ea: 8.36726e+04}
  2324. - {P: 0.01 atm, A: 2.62e+57, b: -13.3, Ea: 8.52622e+04}
  2325. - {P: 0.1 atm, A: 1.65e+52, b: -11.5, Ea: 8.47456e+04}
  2326. - {P: 1.0 atm, A: 5.23e+43, b: -8.9, Ea: 8.15067e+04}
  2327. - {P: 10.0 atm, A: 4.59e+32, b: -5.6, Ea: 7.60624e+04}
  2328. - {P: 100.0 atm, A: 3.84e+20, b: -2.06, Ea: 6.94655e+04}
  2329. - equation: C2H5OH <=> C2H5 + OH # Reaction 315
  2330. type: pressure-dependent-Arrhenius
  2331. rate-constants:
  2332. - {P: 1.0e-03 atm, A: 8.1e+46, b: -11.3, Ea: 1.110534e+05}
  2333. - {P: 0.01 atm, A: 1.86e+56, b: -13.5, Ea: 1.072384e+05}
  2334. - {P: 0.1 atm, A: 4.65e+63, b: -15.0, Ea: 1.096228e+05}
  2335. - {P: 1.0 atm, A: 4.46e+65, b: -14.9, Ea: 1.12345e+05}
  2336. - {P: 10.0 atm, A: 2.79e+61, b: -13.4, Ea: 1.130802e+05}
  2337. - {P: 100.0 atm, A: 6.17e+51, b: -10.3, Ea: 1.099407e+05}
  2338. - equation: C2H5OH + O2 <=> SC2H4OH + HO2 # Reaction 316
  2339. rate-constant: {A: 1.5e+13, b: 0.0, Ea: 5.015e+04}
  2340. - equation: C2H5OH + H <=> SC2H4OH + H2 # Reaction 317
  2341. rate-constant: {A: 8790.0, b: 2.68, Ea: 2910.0}
  2342. - equation: C2H5OH + OH <=> SC2H4OH + H2O # Reaction 318
  2343. rate-constant: {A: 7.52e+04, b: 2.49, Ea: -1474.0}
  2344. - equation: C2H5OH + HO2 <=> SC2H4OH + H2O2 # Reaction 319
  2345. rate-constant: {A: 7.0e-05, b: 5.26, Ea: 7475.1}
  2346. - equation: C2H5OH + O <=> SC2H4OH + OH # Reaction 320
  2347. rate-constant: {A: 1.45e+05, b: 2.47, Ea: 876.0}
  2348. - equation: C2H5OH + CH3 <=> SC2H4OH + CH4 # Reaction 321
  2349. rate-constant: {A: 19.93, b: 3.37, Ea: 7634.0}
  2350. - equation: SC2H4OH <=> CH3CHO + H # Reaction 322
  2351. type: pressure-dependent-Arrhenius
  2352. rate-constants:
  2353. - {P: 1.0e-03 atm, A: 5.69e+52, b: -13.38, Ea: 4.5049e+04}
  2354. - {P: 0.01 atm, A: 3.29e+56, b: -14.12, Ea: 4.8129e+04}
  2355. - {P: 0.1 atm, A: 8.58e+57, b: -14.16, Ea: 5.0743e+04}
  2356. - {P: 1.0 atm, A: 5.36e+55, b: -13.15, Ea: 5.1886e+04}
  2357. - {P: 10.0 atm, A: 1.66e+48, b: -10.64, Ea: 5.0297e+04}
  2358. - {P: 20.0 atm, A: 8.26e+44, b: -9.59, Ea: 4.9218e+04}
  2359. - {P: 50.0 atm, A: 1.01e+40, b: -8.06, Ea: 4.7439e+04}
  2360. - {P: 100.0 atm, A: 1.1e+36, b: -6.84, Ea: 4.5899e+04}
  2361. - equation: SC2H4OH + O2 <=> CH3CHO + HO2 # Reaction 323
  2362. type: pressure-dependent-Arrhenius
  2363. rate-constants:
  2364. - {P: 0.01 atm, A: 5.26e+17, b: -1.637, Ea: 838.0}
  2365. - {P: 0.1 atm, A: 5.26e+17, b: -1.637, Ea: 838.0}
  2366. - {P: 1.0 atm, A: 5.28e+17, b: -1.638, Ea: 839.0}
  2367. - {P: 10.0 atm, A: 1.54e+18, b: -1.771, Ea: 1120.0}
  2368. - {P: 100.0 atm, A: 3.78e+20, b: -2.429, Ea: 3090.0}