Kinetics of the NCN + NO reaction over a broad temperature and pressure range

Journal of Physical Chemistry A

Volumn 116, Issue 27, 2012, Pages 7293-7301

  Welz, Oliver ^a   Olzmann, Matthias ^a  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ABSOLUTE VALUES; BATH GAS; ESTIMATED ERROR; INTERNAL CONVERSIONS; LASER INDUCED FLUORESCENCE; LIMITING VALUES; MASTER EQUATIONS; NEGATIVE TEMPERATURES; PARAMETRIZATIONS; POSITIVE PRESSURE; PRESSURE RANGES; PSEUDO-FIRST-ORDER; PULSED EXCIMER LASERS; RATE COEFFICIENTS; RECOMBINATION REACTIONS; TEMPERATURE RANGE; TIME-RESOLVED;

EXCIMER LASERS; EXPERIMENTS; HELIUM; PHOTOLYSIS;

REACTION KINETICS;

EID: 84863817907     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp303069g     Document Type: Article

References (57)

1. Warnatz, J.; Maas, U.; Dibble, R. W. Combustion, 3 rd ed.; Springer: Berlin, 2001.
2. Finlayson-Pitts, B. J.; Pitts, J. N., Jr. Chemistry of the Upper and Lower Atmosphere; Academic Press: San Diego, 2000.
3. Fenimore, C. P. Proc. Combust. Inst. 1971, 13, 373
4. Miller, J. A.; Bowman, C. T. Prog. Energy Combust. Sci. 1989, 15, 287
5. Dean, A. M.; Bozzelli, J. W. In Gas-Phase Combustion Chemistry; Gardiner, W. C., Jr., Ed.; Springer: New York, 2000; p 125.
6. Cui, Q.; Morokuma, K.; Bowman, J. M.; Klippenstein, S. J. J. Chem. Phys. 1999, 110, 9469
7. Moskaleva, L. V.; Lin, M. C. Proc. Combust. Inst. 2000, 28, 2393
8. Vasudevan, V.; Hanson, R. K.; Bowman, C. T.; Golden, D. M.; Davidson, D. F. J. Phys. Chem. A 2007, 111, 11818
9. Harding, L. B.; Klippenstein, S. J.; Miller, J. A. J. Phys. Chem. A 2008, 112, 522
10. Smith, G. P. Chem. Phys. Lett. 2003, 367, 541
11. Sutton, J. A.; Williams, B. A.; Fleming, J. W. Combust. Flame 2008, 153, 465
12. El Bakali, A.; Pillier, L.; Desgroux, P.; Lefort, B.; Gasnot, L.; Pauwels, J. F.; da Costa, I. Fuel 2006, 85, 896
13. Zsély, I. Gy.; Zádor, J.; Turányi, T. Int. J. Chem. Kinet. 2008, 40, 754
14. Konnov, A. A. Combust. Flame 2009, 156, 2093
15. Lamoureux, N.; Desgroux, P.; El Bakali, A.; Pauwels, J. F. Combust. Flame 2010, 157, 1929
16. Sutton, J. A.; Williams, B. A.; Fleming, J. W. Combust. Flame 2012, 159, 562
17. Dagaut, P.; Glarborg, P.; Alzueta, M. U. Prog. Energy Combust. Sci. 2008, 34, 1
18. Dammeier, J.; Friedrichs, G. J. Phys. Chem. A 2010, 114, 12963
19. Baren, R. E.; Hershberger, J. F. J. Phys. Chem. A 2002, 106, 11093
20. Smith, G. P.; Copeland, R. A.; Crosley, D. R. J. Chem. Phys. 1989, 91, 1987
21. Huang, C.-L.; Tseng, S. Y.; Wang, T. Y.; Wang, N. S.; Xu, Z. F.; Lin, M. C. J. Chem. Phys. 2005, 122, 184321
22. Mebel, A. M.; Morokuma, K.; Lin, M. C. J. Chem. Phys. 1995, 103, 7414
23. Chen, H.-T.; Ho, J.-J. J. Phys. Chem. A 2005, 109, 2564
24. Wei, Z. G.; Li, Q. S.; Zhang, S. W.; Sun, Y. B.; Sun, C. C. J. Mol. Struct. (THEOCHEM) 2005, 722, 139
25. Dammeier, J.; Friedrichs, G. J. Phys. Chem. A 2011, 115, 14382
26. Wang, N. S.; Yang, D. L.; Lin, M. C.; Melius, C. F. Int. J. Chem. Kinet 1991, 23, 151
27. Milligan, D. E.; Jacox, M. E.; Bass, A. M. J. Chem. Phys. 1965, 43, 3149
28. Kroto, H. W. J. Chem. Phys. 1966, 44, 831
29. Okabe, H.; Mele, A. J. Chem. Phys. 1969, 51, 2100
30. Baumgätel, S.; Gericke, K.-H.; Comes, F. J. Ber. Bunsen-Ges. Phys. Chem. 1994, 98, 1009
31. Smith, G. P.; Copeland, R. A.; Crosley, D. R. J. Chem. Phys. 1989, 91, 1987
32. Forster, R.; Frost, M.; Fulle, D.; Hamann, H. F.; Hippler, H.; Schlepegrell, A.; Troe, J. J. Chem. Phys. 1995, 103, 2949
33. Hippler, H.; Striebel, F.; Viskolcz, B. Phys. Chem. Chem. Phys. 2001, 3, 2450
34. Welz, O.; Striebel, F.; Olzmann, M. Phys. Chem. Chem. Phys. 2008, 10, 320
35. Marsh, F. D.; Hermes, M. E. J. Am. Chem. Soc. 1964, 86, 4506
36. Troe, J. J. Chem. Soc., Faraday Trans. 1994, 90, 2303
37. Delbos, E.; Fittschen, C.; Hippler, H.; Krasteva, N.; Olzmann, M.; Viskolcz, V. J. Phys. Chem. A 2006, 110, 3238
38. Troe, J. J. Chem. Phys. 1983, 79, 6017
39. Marcus, R. A.; Rice, O. K. J. Phys. Colloid. Chem. 1951, 55, 894
40. Gilbert, R. G.; Smith, S. C. Theory of Unimolecular and Recombination Reactions; Blackwell: Oxford, U.K., 1990.
41. Holbrook, K. A.; Pilling, M. J.; Robertson, S. H. Unimolecular Reactions, 2 nd ed.; Wiley: Chichester, U.K., 1996.
42. Beyer, T.; Swinehart, D. F. Commun. ACM 1973, 16, 379
43. Parr, R. G.; Yang, W. Density-functional theory of atoms and molecules; Oxford University Press: Oxford, U.K., 1989.
44. Becke, A. D. J. Chem. Phys. 1993, 98, 5648
45. Hehre, W. J.; Radom, L.; Pople, J. A.; Schleyer, P. v. R. Ab Initio Molecular Orbital Theory; Wiley: New York, 1987.
46. Stein, S. E.; Rabinovitch, B. S. J. Chem. Phys. 1973, 58, 2438
47. 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, Inc.: Wallingford, CT, 2004.
48. Chase, M. W., Jr.; Davies, C. A.; Downey, J. R., Jr.; Frurip, D. J.; McDonald, R. A.; Syverud, A. N. J. Phys. Chem. Ref. Data 1985, 14, Supplement No. 1.
49. Reid, R. C.; Prausnitz, J. M.; Poling, B. E. The Properties of Gases and Liquids, 4 th ed.; McGraw-Hill: Boston, U.S.A., 1987.
50. nd ed.; Cambridge University Press: Cambridge, U.K., 1992.
51. Troe, J. J. Chem. Phys. 1981, 75, 226
52. Cobos, C. J.; Troe, J. J. Chem. Phys. 1985, 83, 1010
53. Oref, I.; Tardy, D. C. Chem. Rev. 1990, 90, 1407
54. Dove, J. E.; Hippler, H.; Troe, J. J. Chem. Phys. 1985, 82, 1907
55. Rossi, M. J.; Pladziewicz, J. R.; Barker, J. R. J. Chem. Phys. 1983, 78, 6695
56. Fulle, D.; Hamann, H. F.; Hippler, H.; Troe, J. J. Chem. Phys. 1996, 105, 983
57. Troe, J. J. Phys. Chem. 1979, 83, 114