Isomerization and decomposition of indole. Experimental results and kinetic modeling

Journal of Physical Chemistry A

Volumn 101, Issue 42, 1997, Pages 7787-7801

  Laskin, Alexander ^a   Lifshitz, Assa ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; CHEMICAL BONDS; COMPUTER SIMULATION; ISOMERIZATION; MATHEMATICAL MODELS; PYROLYSIS; REACTION KINETICS; SENSITIVITY ANALYSIS;

ARRHENIUS RATE PARAMETERS; INDOLE; PYRROLE; TAUTOMERISM;

NITROGEN COMPOUNDS;

EID: 0031246786     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971769+     Document Type: Article

References (49)

1. Attar, A.; Hendrickson, G. G. In Coal Structure; Meyers, R. A., Ed.; Academic Press: New York, 1982; p 132.
2. Given, P. H. In Coal Science; Gorbaty, M. L., Larsen, J. W., Wender, I., Eds.; Academic Press: New York, 1982; Vol. 3, p 65.
3. Unsworth, J. F. In Coal Quality and Combustion Performance; Unsworth, J. F., Barrat, D. J., Roberts, P. T., Eds.; Elsevier Science Publishers: Amsterdam, 1991; Chapter 4.2, p 206.
4. Lifshitz, A.; Tamburu, C.; Suslensky, A. J. Phys. Chem. 1989, 93, 5802.
5. Mackie, J. C.; Colket, M. B., III; Nelson, P. F.; Esler, M. Int. J. Chem. Kinet. 1991, 23, 733.
6. Bruinsma, O. S. L.; Tromp, P. J. J.; de Sauvage Nolting, H. J. J.; Moulijn, J. A. Fuel 1988, 67, 334.
7. Julian, P. L.; Meyer, E. W.; Printy, H. C. The Chemistry of Indole in Heterocyclic Compounds; Elderfield, R. C., Ed.; John Wiley & Sons, Inc.: New York, 1952; Vol. 3, pp 74-83.
8. Sumpter, W. C.; Miller, F. M. Heterocyclic Compounds with Indole and Carbazole Systems; Interscience Publishers, Inc.: New York, 1954; pp 25-28.
9. Burcat, A.; McBride, B. 1995 Ideal Gas Thermodynamics Data for Combustion and Air-Pollution Use; Technion - Israel Institute of Technology: Tel Aviv, 1995.
10. Rogers, A. S.; Ford, W. C. F. Int. J. Chem. Kinet. 1973, 5, 965.
11. Lifshitz, A.; Tamburu, C.; Frank, P.; Just, Th. J. Phys. Chem. 1993, 97, 4085.
12. Kiefer, J. H.; Shah, J. N. J. Phys. Chem. 1987, 91, 3024.
13. Troe, J. J. Chem. Phys. 1977, 66, 4745, 4758.
14. Gilbert, R. G., Luther, K.; Troe, J. Ber. Bunsen-Ges. Phys. Chem. 1983, 87, 169.
15. Gardiner, W. C., Jr.; Troe, J. In Combustion Chemistry; Gardiner, W. C., Jr., Ed.; Springer-Verlag, Inc: New York, 1984; Chapter 4, p 173.
16. Collier, W. B.; Klots, T. D. Spectrochim. Acta, Part A 1995, 51, 1255.
17. Morrison, R. Th.; Boyd, R. N. Organic Chemistry; Allyn and Bacon, Inc.: Boston, 1976; p 1009
18. Lifshitz, A.; Bidani, M.; Bidani, S. J. Phys. Chem. 1986, 90, 5373.
19. Wohlfeiler, D., Ph.D. Thesis, submitted to the Senate of the Hebrew University, Jerusalem, 1992.
20. Lifshitz, A.; Wohlfeiler, D. J. Phys. Chem. 1992, 96, 4505.
21. Laskin, A.; Lifshitz, A. In Proceeding of the 20th Symposium on Shock Tubes and Waves, Pasadena, USA 1995; Sturtevant, B., Shepherd, J. E., Hornung, H., Eds.; World Scientific: London, 1996; p 971
22. Lifshitz, A.; Tamburu, C.; Shashua, R. J. Phys. Chem. 1997, 101, 1018.
23. Robaugh, D.; Tsang, W. J. Phys. Chem. 1986, 90, 4159.
24. Manion, J. A.; Louw, R. J. Phys. Chem. 1990, 94, 4127.
25. Smith, R. D. J. Phys. Chem. 1979, 83, 1553.
26. Smith, R. D. Combust. Flame 1979, 35, 179.
27. Braun-Unkhoff, M.; Frank, P.; Just, Th. In 22th Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1988; p 1053.
28. Burcat, A.; Dvinyaninov, M. Int. J. Chem. Kinet. 1997, 29, 505.
29. Westly, F.; Herron, J. T.; Cvetanovich, R. J.; Hampson, R. F.; Mallard, W. G. NIST-Chemical Kinetics Standard Reference Data Base 17, Version 5.0; National Institute of Standards and Technology: Washington, DC.
30. Lifshitz, A.; Cohen, Y.; Braun-Unkhoff, M.; Frank, P. 26th Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1996; p 659.
31. Roy, K.; Frank, P.; Just, Th. Is. J. Chem. 1996, 36, 275.
32. Laskin, A.; Lifshitz, A. 26th Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1996; p 669.
33. Kiefer, J. H.; Mizerka, L. J.; Patel, M. R.; Wei, H. C. J. Phys. Chem. 1985, 89, 2013.
34. Hertzler, J.; Frank, P. Ber. Bunsen-Ges. Phys. Chem. 1992, 96, 1333.
35. Wu, C. H.; Kern, R. D. J. Phys. Chem. 1987, 91, 6291.
36. Lifshitz, A.; Tamburu, C.; Carroll, H. F. Int. J. Chem. Kinet. 1997, in press.
37. Metcalfe, E.; Booth, D.; McAndrey, H.; Wooley, W. D. Fire Mater. 1983, 7, 185.
38. Kern, R. D.; Singh, H. J.; Wu, C. H. Int. J. Chem. Kinet. 1988, 20, 731.
39. Clark, T. C.; Izod, P. J.; Valentin, M. A. D.; Dove, J. E. J. Chem. Phys. 1970, 53, 2982.
40. Warnatz, J. Rate Coefficients in the C/H/O System in Combustion Chemistry; Gardiner, W. C., Jr., Ed.; Springer-Verlag, Inc.: New York, 1984; p 197.
41. Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087.
42. Wagner, A. F.; Bair, R. A. Int. J. Chem. Kinet. 1986, 18, 473.
43. Jamieson, j. W. S.; Brown, G. R.; Tanner, J. S. Can. J. Chem. 1970, 48, 3619.
44. Laufer, A. H.; Bass, A. M. J. Phys. Chem. 1979, 83, 310.
45. Pamidimukkala, K. M.; Kern R. D.; Patel, M. R.; Wei, H. C.; Kiefer, J. H. J. Phys. Chem. 1987, 91, 2148.
46. Brouwer, L. D.; Muller-Markgraf, W.; Troe, J. J. Phys. Chem. 1988, 92, 4905.
47. Stull, D. R.; Westrum, E. F., Jr.; Sinke, G. C. The Chemical Thermodynamics of Organic Compounds; John Wiley & Sons: New York, 1969.
48. Stein, S. E.; Rukkers, J. M.; Brown, R. L. NIST-Standard Reference Data, National Institute of Standards and Technology, Washington, DC, 1993; Vol. 25, 1993.
49. Estimation based on the equivalent reaction in indene (ΔH = 104 kcal/mol), which is very similar to indole: (Matrix Presented)