Experimental and kinetic modeling study of the oxidation of benzene

International Journal of Chemical Kinetics

Volumn 32, Issue 8, 2000, Pages 498-522

  Alzueta, Maria U ^a,b   Glarborg, Peter ^a   Dam Johansen, Kim ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b UNIVERSITY OF ZARAGOZA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; NITROGEN OXIDES; PYROLYSIS; REACTION KINETICS; STOICHIOMETRY; VAPORS; WATER;

WATER VAPOR LEVEL;

OXIDATION;

EID: 0033691905     PISSN: 05388066     EISSN: None     Source Type: Journal    
DOI: 10.1002/1097-4601(2000)32:8<498::AID-KIN8>3.0.CO;2-H     Document Type: Article

References (74)

1. Bittner, J. D.; Howard, J. B. Eighteenth Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1981; p 1105.
2. Venkat, C.; Brezinsky, K.; Glassman, I. Nineteenth Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1982; p 143.
3. Hsu, H.; Lin, C. Y.; Lin, M. C. Twentieth Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1984; p 623.
4. Brezinsky, K. Prog Energy Combust Sci 1986, 12, 1.
5. Burcat, A.; Snyder, C.; McBride, B. J. Ignition delay times of benzene and toluene with oxygen in argon mixtures; NASA TM-87312, 1986.
6. Lovell, A. B.; Brezinsky, K.; Glassman, I. Twenty-Second Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1988; p 1063.
7. Lyon, R. K. Twenty-Third Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1990; p 903.
8. Bittker, D. A. Combust Sci Techn 1991, 79, 49.
9. Emdee, J. L.; Brezinsky, K.; Glassman, I. J. Phys Chem 1992, 96, 2151.
10. Lindstedt, R. P.; Skevis, G. Combust Flame 1994, 99, 551.
11. Leung K. M.; Lindstedt, R. P. Combust Flame 1995, 102, 129.
12. Zhang, H.-Y.; McKinnon, J. T. Combust Sci Techn 1995, 107, 261.
13. Lindstedt, R. P.; Maurice, L. Q. Combust Sci Techn 1996, 120, 119.
14. Tan, Y.; Frank, P. Twenty-Sixth Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1996; p 677.
15. Shandross, R. A. S.; Lovell, J. P.; Howard, J. B. Twenty-Sixth Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1996; p 711.
16. Davis, S. G.; Wang, H.; Brezinsky, K.; Law, C. K. Twenty-Sixth Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1996; p 1025.
17. Zhong, X.; Bozzelli, J. W. Int J Chem Kinet 1997, 29, 893.
18. Zhong, X.; Bozzelli, J. W. J Phys Chem A 1998, 102, 3537.
19. Chai, Y.; Pfefferle, L. D. Fuel 1998, 77, 313.
20. Frank, P.; Herzler, J.; Just, Th.; Wahl, C. Twenty-Fifth Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1994; p 833.
21. 2, Proceedings of the 21st International Symposium on Shock Waves, Great Keppel Island, Australia, 1997.
22. Alzueta, M. U.; Oliva, M.; Glarborg, P. Int J Chem Kinet 1998, 30, 683.
23. Wang, H.; Brezinsky, K. J. Phys Chem A 1998, 102, 1530.
24. Miller, J. A.; Melius, C. F. Combust Flame 1992, 91, 21.
25. Baulch, D. C.; Cobos, C. J.; Cox, R. A.; Esser, C.; Frank, P.; Just, T.; Kerr, J. A.; Pilling, M. J.; Troe, J.; Walker, R. W.; Warnatz, J. J. Phys Chem Ref Data 1992, 21, 411.
26. Baulch, D. C.; Cobos, C. J.; Cox, R. A.; Frank, P.; Hayman, C.; Just, T.; Kerr, J. A.; Pilling, M. J.; Troe, J.; Walker, R. W.; Warnatz, J. Combust Flame 1994, 98, 59.
27. Pauwels, J.-F.; Volponi, J. V.; Miller, J. A. Combust Sci Techn 1995, 110, 249.
28. Marinov, N. M.; Pitz, W. J.; Westbrook, C. K.; Castaldi, M. J.; Senkan, S. M. Combust Sci Techn 1996, 116, 211.
29. Glarborg, P.; Alzueta, M. U.; Dam-Johansen K.; Miller, J. A. Combust Flame 1998, 115, 1.
30. Kee, R. J.; Rupley, F. M.; Miller, J. A. The Chemkin Thermodynamic Data Base, Sandia Report SAND87-8215; Sandia National Laboratories: Livermore, CA, 1991.
31. Burcat, A.; McBride, B. 1995 Ideal Gas Thermodynamic Data for Combustion and Air-Pollution Use, Aerospace Engineering Report TAE 732; Institute of Technology: Technian, Israel, 1995 and updates.
32. Kristensen, P. G.; Glarborg, P.; Dam-Johansen, K. Combust Flame 1996, 107, 211.
33. Alzueta, M. U.; Glarborg, P.; Dam-Johansen, K. Combust Flame 1997, 109, 25.
34. Alzueta, M. U.; Røjel, H.; Kristensen, P.; Glarborg, P.; Dam-Johansen, K. Energy Fuels 1997, 11, 716.
35. Bozzelli, J. Private communication of preliminary results. See also Zhong, X. Ph.D. Thesis, Rutgers University: Newark, NJ, May 1998.
36. Heckmann, E.; Hippler, H.; Troe, J. Twenty-Sixth Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1996; p 543.
37. Mebel, A. M.; Lin, M. C.; Yu, T.; Morokuma, K. J. Phys Chem A 1997, 101, 3189.
38. Nicovich, J. M.; Gump, C. A.; Ravishankara, A. R. J Phys Chem 1982, 86, 1684.
39. Bajaj, P. N.; Fontijn, A. Combust Flame 1996, 105, 239.
40. Leidreiter, H. I.; Wagner, H. Gg. Z Phys Chem (Neue Folge) 1989, 165, 1.
41. Frenklach, M.; Clary, D. W.; Yuan, T.; Gardiner, W. C. Stein, S. E. Combust Sci Techn 1986, 50, 79.
42. Castaldi, M. C.; Marinov, N. M.; Melius, C. F.; Huang, J.; Senkan, S. M.; Pitz, W.; Westbrook, C. K. Twenty-Fifth Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1994; p 693.
43. Lin, C. Y.; Lin, M. C. J Phys Chem 1986, 90, 425.
44. Mebel, A. M.; Lin, M. C. J Am Chem Soc 1994, 116, 9577.
45. Yu, T.; Lin, M. C. J Am Chem Soc 1994, 116, 9571.
46. Tranter, R. S.; Grotheer, H. H.; Just, Th. Fourteenth International Gas Kinetics Symposium, Leeds 1996, paper F7.
47. Knispel, R.; Koch, R.; Siese, M.; Zetzsch, C. Ber Bunsenges Phys Chem 1990, 94, 1375.
48. Horn, C.; Roy, K.; Frank, P.; Just, Th. Twenty-Seventh Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1998; p 321.
49. Olivella, S.; Sole, A.; Garcia-Raso, A. J Phys Chem 1995, 99, 10549.
50. Liu, R.; Morokuma, K.; Mebel, A. M.; Lin, M. C. J Phys Chem 1996, 100, 9314.
51. Buth, R.; Hoyermann, K.; Seeba, J. Twenty-Fifth Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1994; p 841.
52. Lin, M. C.; Mebel, A. M. J Phys Org Chem 1995, 8, 407.
53. de Jongh, D. C.; van Fossen, R. Y., Bourgeois, C. F. Tetrahedron Lett 1967, 3, 271.
54. Schraa, G.-J.; Arends, I. W. C. E.; Mulder, P. J Chem Soc Perkin Trans 1994, 2, 189.
55. Sakai, T.; Hattori, M.; Yamane, N. J. Japan Petrol Int 1980, 23, 44.
56. Roy, K.; Frank, P. Twenty-First International Symposium on Shock Waves, Great Keppel Island, Australia, 1997, paper 1560.
57. Horn, C.; Roy, K.; Frank, P.; Slutsky, V.; Just, Th. Twenty-Seventh Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1998; p 329.
58. Burcat, A.; Dvinyaninov, M. Int J Chem Kinet 1997, 29, 505.
59. Bruinsma, O-S. L.; Tromp, P. J. J.; de Sauvage Nolting, H. J. J.; Moulijn, J. A. Fuel 1988, 67, 334.
60. Lutz, A. E.; Kee, R. J.; Miller, J. A. SENKIN: A Fortran Program for Predicting Homogeneous Gas Phase Chemical Kinetics with Sensitivity Analysis, Sandia Report SAND87-8248; Sandia National Laboratories: Livermore, CA, 1987.
61. Glarborg, P.; Kee, R. J.; Grcar, J. F.; Miller; J. A. PSR: A Fortran Program for Modeling Well-Stirred Reactors, Sandia Report SAND86-8209; Sandia National Laboratories: Livermore, CA, 1986.
62. Kee, R. J.; Rupley, F. M.; Miller J. A. CHEMKIN-II: A Fortran Chemical Kinetics Package for the Analysis of Gas-Phase Chemical Kinetics, Sandia Report SAND89-8009; Sandia National Laboratories: Livermore, CA, 1989.
63. He, Y. Z.; Mallard, W. G.; Tsang, W. J Phys Chem 1988, 92, 2196.
64. Cyprès, R.; Bettens, B. Tetrathedron 1974, 30, 1253.
65. Brezinsky, K.; Pecullan, M.; Glassman, I. J Phys Chem A 1998, 102, 8614.
66. Hjuler, K.; Glarborg, P.; Dam-Johansen, K. Ind Engn Chem Res 1995, 34, 1882.
67. Glarborg, P.; Kristensen, P. G.; Kubel, D.; Hansen, J.; Dam-Johansen, K. Combust Sci Techn 1995, 110-111, 46.
68. Alzueta, M. U.; Muro, J.; Bilbao, R.; Glarborg, P. Israel J Chem 1999, 39, 73.
69. Bendtsen, A. B.; Glarborg, P.; Dam-Johansen, K. Combust Sci Technol 2000, 151, 31-72.
70. Ackerman, L.; Hippler, H.; Reihs, C.; Troe, J. J Phys Chem 1990, 94, 5247.
71. Fahr, A.; Stein, S. E. J Phys Chem 1988, 92, 4951.
72. Arends, I. W. C. E.; Louw, R.; Mulder, P. J Phys Chem 1993, 97, 7914.
73. Tsang, W. J Phys Chem Ref Data 1991, 20, 221.
74. Lias, S. G.; Liebman, J. F.; Levin, R. D.; Kafafi, S. A. NIST Standard Reference Database 25: Structures and Properties, version 2.02, 1994.