Atmospheric oxidation mechanism of p-xylene: A density functional theory study

Journal of Physical Chemistry A

Volumn 110, Issue 24, 2006, Pages 7728-7737

  Fan, Jiwen ^a   Zhang, Renyi ^a  

^a TEXAS A AND M UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC INTERMEDIATE RADICALS; OH-INITIATED OXIDATION REACTIONS; ORGANIC AEROSOL; P-XYLENE OXIDATION;

ACTIVATION ENERGY; AEROSOLS; AROMATIC COMPOUNDS; OXIDATION; OZONE; PHOTOCHEMICAL REACTIONS; REACTION KINETICS;

XYLENE;

EID: 33745714138     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp061735e     Document Type: Article

References (30)

1. Smith, D. F.; Kleindienst, T. E.; Mciver, C. D. J. Atmos. Chem. 1999, 34, 339-364.
2. Hamilton, J. F.; Lewis, A. C.; Bloss, C.; Wagner, V.; Henderson, A. P.; Goldong, B. T.; Wirtz, K.; Martin-Reviejo, M.; Pilling, M. J. Atmos, Chem. Phys. Discuss. 2003, 3, 4359-4391.
3. Seinfeld, J. H.; Pandis, S. N. Atmospheric Chemistry and Physics: From Air Pollution to Climate Change; John Wiley & Sons: New York, 1997.
4. Yu, J.; Jeffries, H. E. Atmos. Environ. 1997, 31, 2281.
5. Gery, M. W.; Fox, D. L.; Kamens, R. M.; Stockburger, L. Environ. Sci. Technol. 1987, 21, 339-347.
6. Grosjean, D.; Fung, K. J. Air Pollut. Control Assoc. 1984, 34, 537-543.
7. Lonneman, W. A.; Kopczynski, S. L.; Darley, P. E.; Sutterfield, F. D. Environ. Sci. Technol. 1974, 8, 229-236.
8. ECO-USA, toxics: http://www.eco-usa.net/toxics/xylene.shtml.
9. Molina, M. J.; Zhang, R.; Broekhuizen, K.; Lei, W.; Navarro, R.; Molina, L. T. J. Am. Chem. Soc. 1999, 121, 10, 225.
10. Atkinson, R. Atmos. Environ. 1990, 24, 1-41.
11. Perry, (r) A.; Atkinson, R.; Pitts, J. N. J. Phys. Chem. 1977, 81, 296-304.
12. Knispel, R.; Koch, R.; Siese, M.; Zetzsch, C. Ber. Bunsen-Ges. Phys. Chem. 1990, 94, 1375.
13. Andino, J. M.; Smith, J. N.; Flagan R. C.; Goddard, W. A.; Seinfeld, J. H. J. Phys. Chem. 1996, 100, 10967-10980.
14. Volkamer, R.; Platt, U.; Wirtz, K. J. Phys. Chem. A 2001, 105, 7865-7874.
15. Bandow, H.; Washida, N. Bull. Chem. Soc. Jpn. 1985, 58, 2541-2548.
16. Hansen, D. A.; Atkinson, R.; Pitts, J. N. J. Phys. Chem. 1975, 79, 1763.
17. Kwok, E. S. C.; Aschmann, S. M.; Atkinson, R.; Arey, J. J. Chem. Soc., Faraday Trans. 1997, 93, 2847-2854.
18. Atkinson, R.; Aschmann, S. M. Int. J. Chem. Kinet. 1991, 23, 77-97.
19. Calvert, J. G.; Atkinson, R.; Becker, K. H.; Kamens, R. M.; Seinfeld, J. H.; Wallington, T. J.; Yarwood, G. The Mechanisms of Atmospheric Oxidation of Aromatic Hydrocarbons; Oxford University Press: New York, 2002.
20. Atkinson, R. J. Phys. Chem. Ref. Data 1997, 26, 215.
21. Suh, I.; Zhang, R.; Molina, L. T.; Molina, M. J. J. Am. Chem. Soc. 2003, 125, 12655-12665.
22. Suh, I.; Zhang, D.; Zhang, R.; Molina, L. T.; Molina, M. J. Chem. Phys. Lett. 2002, 364, 454.
23. Zhang, D.; Zhang, R. J. Am. Chem. Soc. 2002, 124, 2692.
24. Lei, W.; Zhang, R. J. Phys. Chem. 2001, 105, 3808.
25. Fan, J.; Zhao, J.; Zhang, R. Chem. Phys. Lett. 2005, 411, 1.
26. Forstner, H. J. L.; Flagan, R. C.; Seinfeld, J. H. Environ. Sci. Technol. 1997, 31, 1345.
27. Zhang, R.; Suh, I.; Zhao, J.; Zhang, D.; Fortner, E. C.; Tie, X.; Molina, L. T.; Molina, M. J. Science 2004, 304, 1487.
28. Bartolotti, L. J.; Edney, E. O. Chem. Phys. Lett. 1995, 245, 119.
29. Motta, F.; Ghigo, G.; Tonachini, G. J. Phys. Chem. 2002, 106, 4411.
30. Zhao, J.; Zhang, R.; Misawa, K.; Shibuya, K. J. Photochem. Photobiol. A 2005, 176, 199.