Temperature dependence of rate coefficients and branching ratios for the NH2 + NO reaction via microcanonical variational transition state theory

Journal of Physical Chemistry

Volumn 100, Issue 30, 1996, Pages 12349-12354

  Diau, Eric W G ^a   Smith, Sean C ^a  

^a UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

BRANCHING RATIOS; MICROCANONICAL VARIATIONAL TRANSITION STATE THEORY; MORSE POTENTIALS; RATE COEFFICIENTS;

CHEMICAL REACTIONS; ENTHALPY; MATHEMATICAL MODELS; REACTION KINETICS; THERMAL EFFECTS;

NITROGEN OXIDES;

EID: 0030197848     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9602991     Document Type: Article

References (43)

1. Miller, J. A.; Branch, M. C.; Kee, R. J. Combust. Flame 1981, 43, 81.
2. Miller, J. A.; Bowman, C. T. Prog. Energy Combust. Sci. 1989, 15 , 287.
3. Glarborg, P.; Dam-Johansen, K.; Miller, J. A.; Kee, R. J.; Coltrin, M. E. Int. J. Chem. Kinet. 1994, 26, 421.
4. Miller, J. A.; Glarborg, P. Gas Phase Chemical Reaction Systems: Experiments and Models 100 Years after Max Bodenstein; Springer Series in Chemical Physics, in press.
5. (a) Silver, J. A.; Kolb, C. E. J. Phys. Chem. 1982, 86, 3240.
6. (b) Silver, J. A.; Kolb, C. E. J. Phys. Chem. 1987, 91, 3713.
7. Bulatov, V. P.; Ioffe, A. A.; Lozovsky, V. A.; Sarkisov, O. M. Chem. Phys. Lett. 1989, 161, 141.
8. Atakan, B.; Jacobs, A.; Wahl, M.; Weller, R.; Wolfrum, J. Chem. Phys. Lett. 1989, 155, 609.
9. Stephens, J. W.; Morter, C. L.; Farhat, S. K.; Glass, G. P.; Curl, R. F. J. Phys. Chem. 1993, 97, 8944.
10. Wolf, M.; Yang, D. L.; Durant, J. L. J. Photochem. Photobiol., A 1994, 80, 85.
11. Diau, E. W.; Yu, T.; Wagner, M. A. G.; Lin, M. C. J. Phys. Chem. 1994, 98, 4034.
12. Kimball-Linne, M. A.; Hanson, R. K. Combust. Flame 1986, 64, 337.
13. Vandooren, J.; Bian, J.; van Tiggelen, P. J. Combust. Flame 1994, 98, 402.
14. Halbgewachs, M. J.; Diau, E. W. G.; Mebel, A. M.; Lin, M. C.; Melius, C. F. 26th Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, submitted.
15. Gilbert, R. G.; Whyte, A. R.; Phillips, L. F. Int. J. Chem. Kinet. 1986, 18, 721.
16. Casewit, C. J.; Goddard, W. A., III. J. Am. Chem. Soc. 1982, 104, 3280.
17. Abou-Rachid, H.; Pouchan, C.; Chaillet, M. Chem. Phys. 1984, 90, 243.
18. Phillips, L. F. Chem. Phys. Lett. 1987, 135, 269.
19. Melius, C. F.; Binkley, J. S. 20th Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1985; p 575.
20. Harrison, J. A.; Maclagan, G. A. R.; Whyte, A. R. J. Phys. Chem. 1987, 91, 6683.
21. Walch, S. P. J. Chem. Phys. 1993, 99, 5295.
22. Troe, J. J. Phys. Chem. 1979, 83, 114.
23. (a) Smith, S. C. J. Chem. Phys. 1991, 95, 3404.
24. (b) Smith, S. C. J. Chem. Phys. 1992, 97, 2406.
25. (c) Smith, S. C. J. Phys. Chem. 1993, 97, 7034.
26. (d) Smith, S. C. J. Phys. Chem. 1994, 98, 6496.
27. Miller, W. H. J. Am. Chem. Soc. 1979, 101, 6810.
28. Gilbert, R. G.; Smith, S. C. Theory of unimolecular recombination reactions; Blackwell Scientific Publication: Carlton, Australia, 1990.
29. Stanton, J. F. J. Chem. Phys. 1994, 101, 371.
30. Chen, W.; Schlegel, H. B. J. Chem. Phys. 1994, 101, 5957.
31. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Oxford Science Publications: Clarendon Press, Oxford, 1987; p 21, and references therein.
32. (a) Wardlaw, D. M.; Marcus, R. A. J. Chem. Phys. 1985, 83, 3462.
33. (b) Wardlaw, D. M.; Marcus, R. A. J. Phys. Chem. 1986, 9, 5383.
34. Guo, Y.; Smith, S. C.; Moore, C. B.; Melius, C. F. J. Phys. Chem. 1995, 99, 7473.
35. Klippenstein, S. J.; Marcus, R. A. J. Chem. Phys. 1989, 91, 2280.
36. Walch, S. P.; Duchovic, R. J.; Rohlfing, C. M. J. Chem. Phys. 1989, 90, 3230.
37. Walch, S. P. J. Chem. Phys. 1993, 98, 1170.
38. Chase, M. W., Jr.; Davies, C. A.; Downey, J. R., Jr.; Frurip, D. J.; McDonald, R. A.; Syverud, A. N. JANAF Thermochemical Tables. J. Phys. Chem. Ref. Data 1985, 14.
39. Miller, J. A. Private communication.
40. Smith, S. C.; Gilbert, R. G. Int. J. Chem. Kinet. 1988, 20, 979.
41. Troe, J. Adv. Chem. Phys. 1992, 82, 485.
42. Diau, E. W.-G.; Smith, S. C.; Hu, C.-H.; Schaefer, H. F., III; Yang, D. L.; Durant, J. L., Jr. Work in progress.
43. 2 system cited in ref 28.