Consecutive chemical activation steps in the OH-initiated atmospheric degradation of isoprene: An analysis with coupled master equations

International Journal of Chemical Kinetics

Volumn 46, Issue 4, 2014, Pages 231-244

  Pfeifle, Mark ^a   Olzmann, Matthias ^a  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84894723090     PISSN: 05388066     EISSN: 10974601     Source Type: Journal    
DOI: 10.1002/kin.20849     Document Type: Article

References (62)

1. Atkinson, R.; Arey, J,. Chem Rev 2003, 103, 4605-4638.
2. Lelieveld, J.; Butler, T. M.; Crowley, J. N.; Dillon, T. J.; Fischer, H.; Ganzeveld, L.; Harder, H.; Lawrence, M. G.; Martinez, M.; Taraborrelli, D.; Williams, J,. Nature 2008, 452, 737-740.
3. Hofzumahaus, A.; Rohrer, F.; Lu, K.; Bohn, B.; Brauers, T.; Chang, C.-C.; Fuchs, H.; Holland, F.; Kita, K.; Kondo, Y.; Li, X.; Lou, S.; Shao, M.; Zeng, L.; Wahner, A.; Zhang, Y,. Science 2009, 324, 1702-1704.
4. Lei, W.; Zhang, R.; McGivern, W. S.; Derecskei-Kovacs, A.; North, S. W,. J Phys Chem A 2001, 105, 471-477.
5. Peeters, J.; Nguyen, T. L.; Vereecken, L,. Phys Chem Chem Phys 2009, 11, 5935-5939.
6. Nguyen, T. L.; Vereecken, L.; Peeters, J,. ChemPhysChem 2010, 11, 3996-4001.
7. da Silva, G.; Graham, C.; Wang, Z.-F,. Environ Sci Technol 2010, 44, 250-256.
8. Peeters, J.; Müller, J.-F,. Phys Chem Chem Phys 2010, 12, 14227-14235.
9. Stavrakou, T.; Peeters, J.; Müller, J.-F,. Atmos Chem Phys 2010, 10, 9863-9878.
10. Archibald, A. T.; Cooke, M. C.; Utembe, S. R.; Shallcross, D. E.; Derwent, R. G.; Jenkin, M. E,. Atmos Chem Phys 2010, 10, 8097-8118.
11. Gilbert, R. G.; Smith, S. C,. Theory of Unimolecular and Recombination Reactions; Blackwell: Oxford, UK, 1990.
12. Holbrook, K. A.; Pilling, M. J.; Robertson, S. H., Unimolecular Reactions, 2nd ed.; Wiley: Chichester, UK, 1996.
13. Forst, W,. Unimolecular Reactions: A Concise Introduction; Cambridge University Press: Cambridge, UK, 2003.
14. da Silva, G,. J Phys Chem A 2010, 114, 6861-6869.
15. Sheng, C. Y.; Bozzelli, J. W.; Dean, A. M.; Chang, A. Y,. J Phys Chem A 2002, 106, 7276-7293.
16. Hou, H.; Li, A.; Hu, H.; Li, Y.; Li, H.; Wang, B,. J Chem Phys 2005, 122, 224304.
17. Maranzana, A.; Barker, J. R.; Tonachini, G,. Phys Chem Chem Phys 2007, 9, 4129-4141.
18. da Silva, G,. Phys Chem Chem Phys 2010, 12, 6698-6705.
19. da Silva, G.; Bozzelli, J. W.; Liang, L.; Farrell, J. T,. J Phys Chem A 2009, 113, 8923-8933.
20. Glowacki, D. R.; Lockhart, J.; Blitz, M. A.; Klippenstein, S. J.; Pilling, M. J.; Robertson, S. H.; Seakins, P. W,. Science 2012, 337, 1066-1069.
21. Asatryan, R.; da Silva, G.; Bozzelli, J. W,. J Phys Chem A 2010, 114, 8302-8311.
22. da Silva, G,. J Phys Chem A 2012, 116, 5317-5324.
23. Dibble, T. S,. J Phys Chem A 2002, 106, 6643-6650.
24. Park, J.; Jongsma, C. G.; Zhang, R.; North, S. W,. J Phys Chem A 2004, 108, 10688-10697.
25. Peeters, J.; Boullart, W.; Pultau, V.; Vandenberk, S.; Vereecken, L,. J Phys Chem A 2007, 111, 1618-1631.
26. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A., Gaussian 03, Revision C.02; Gaussian: Wallingford, CT, 2004.
27. Olzmann, M.; Gebhardt, J.; Scherzer, K,. Int J Chem Kinet 1991, 23, 825-835.
28. Olzmann, M,. Phys Chem Chem Phys 2002, 4, 3614-3618.
29. González-García, N.; Olzmann, M,. Phys Chem Chem Phys 2010, 12, 12290-12298.
30. Caralp, S.; Forst, W.; Bergeat, A,. Phys Chem Chem Phys 2008, 10, 5746-5753.
31. Schranz, H.; Nordholm, S,. Chem Phys 1984, 87, 163-177.
32. Snider, N,. J Chem Phys 1984, 80, 1885-1893.
33. Pritchard, H. O.; Vatsya, S. R,. J Phys Chem 1984, 88, 5816-5819.
34. Forst, W,. Theory of Unimolecular Reactions; Academic Press: New York, 1973.
35. Oref, I.; Tardy, D. C,. Chem Rev 1990, 90, 1407-1445.
36. Simmrock, K. H.; Janowsky, R.; Ohnsorge, A., Critical Data of Pure Substances; DECHEMA: Frankfurt/Main, Germany, 1996.
37. Stiel, L. I.; Thodos, G,. AlChE J 1964, 10, 266-269.
38. Reid, R. C.; Prausnitz, J. M.; Poling, B. E., The Properties of Gases and Liquids, 4th ed.; McGraw-Hill: Boston, MA, 1987.
39. Smith, B. T.; Boyle, J. M.; Garbow, B. S.; Ikebe, Y.; Klema, V. C.; Moler, C. B., Matrix Eigensystems Routines-EISPACK Guide;, Goos, G.; Hartmanis, J., Eds.; Lecture Notes in Computer Science; Vol. 6, Springer: Berlin, 1974.
40. Press, W. H.; Teukolsky, S. A.; Vetterling, W. T.; Flannery, B. P,. Numerical Recipes in Fortran: The Art of Scientific Computing, 2nd ed.; Cambridge University Press: Cambridge, UK, 1992.
41. Olzmann M,. In Cleaner Combustion: Developing Detailed Chemical Kinetic Models;, Battin-Leclerc, F.; Simmie, J. M.; Blurock, E., Eds.; Springer: London, 2013; Chap. 21.
42. Troe, J,. J Chem Phys 1983, 79, 6017-6029.
43. Olzmann, M,. Ber Bunsen-Ges Phys Chem 1997, 101, 533-537.
44. Marcus, R. A.; Rice, O. K,. J Phys Colloid Chem 1951, 55, 894-908.
45. Marcus, R. A,. J Chem Phys 1952, 20, 359-364.
46. Miller, W. H,. J Am Chem Soc 1979, 101, 6810-6814.
47. Garrett, B. C.; Truhlar, D. G,. J Phys Chem 1979, 83, 2921-2926.
48. Wentzel, G,. Z Phys 1926, 38, 518-529.
49. Kramers, H. A,. Z Phys 1926, 39, 828-840.
50. Brillouin, L,. J Phys Radium 1926, 7, 353-368.
51. Quack, M.; Troe, J,. Ber Bunsen-Ges Phys Chem 1974, 78, 240-252.
52. Troe, J,. J Chem Phys 1981, 75, 226-237.
53. Atkinson, R.; Baulch, D. L.; Cox, R. A.; Crowley, J. N.; Hampson, R. F.; Hynes, R. G.; Jenkin, M. E.; Rossi, M. J.; Troe, J,. Atmos Chem Phys 2006, 6, 3625-4055.
54. Merrick, J. P.; Moran, D.; Radom, L,. J Phys Chem A 2007, 111, 11683-11700.
55. Hoyermann, K.; Maarfeld, S.; Nacke, F.; Nothdurft, J.; Olzmann, M.; Wehmeyer, J.; Welz, O.; Zeuch, T,. Phys Chem Chem Phys 2010, 12, 8953-8967.
56. Crounse, J. D.; Paulot, F.; Kjaergaard, H. G.; Wennberg, P. O,. Phys Chem Chem Phys 2011, 13, 13607-13613.
57. Boyd, A. A.; Flaud, P. M.; Daugey, N.; Lesclaux, R,. J Phys Chem A 2003, 107, 818-821.
58. Saunders, S. M.; Jenkin, M. E.; Derwent, R. G.; Pilling, M. J,. Atmos Chem Phys 2003, 3, 161-180.
59. Lei, W.; Derecskei-Kovacs, A.; Zhang, R,. J Chem Phys 2000, 113, 5354-5360.
60. Allodi, M. A.; Kirschner, K. N.; Shields, G. C,. J Phys Chem A 2008, 112, 7064-7071.
61. Greenwald, E. E.; North, S. W.; Georgievskii, Y.; Klippenstein, S. J,. J Phys Chem A 2007, 111, 5582-5592.
62. Francisco-Marquez, M.; Alvarez-Idaboy, J. R.; Galano, A.; Vivier-Bunge, A,. Phys Chem Chem Phys 2003, 5, 1392-1399.