Influence of zeolite composition on the selectivity of alkylation reaction for the synthesis of p-isobutylethylbenzene: A computational study

Catalysis Today

Volumn 49, Issue 1-3, 1999, Pages 221-227

  Deka, R C ^a   Pal, S ^a   Goursot, A ^b   Vetrivel, R ^a  

^a NATIONAL CHEMICAL LABORATORY   (India)

^b INSTITUT CHARLES GERHARDT   (France)

Author keywords

Hard soft acid base (HSAB) principle; Mulliken population; p Isobutylethylbenzene; Zeolites

Indexed keywords

EID: 0001336022     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0920-5861(98)00427-1     Document Type: Article

References (38)

1. C.N. Satterfield, J.R. Katzer, Adv. Chem. Ser. 102 (1971) 193.
2. M. Bülow, P. Struve, G. Finger, C. Redszus, K. Ewrhardt, W. Schirmer, J. Kärger, J. Chem. Soc., Faraday Trans. 176 (1980) 597.
3. W.O. Haag, R.M. Lago, P.B. Weisz, Faraday Dis. Chem. Soc. 72 (1981) 317.
4. R.R. Eckman, A.J. Vega, J. Phys. Chem. 90 (1986) 4679.
5. H. Pfeifer, Phys. Rep. C26 (1976) 293.
6. H. Jobic, A. Renouprez, M. Bee, C. Poinsignon, J. Phys. Chem. 90 (1986) 1059.
7. Y. Yasuda, A. Yamamoto, J. Catal. 93 (1985) 176.
8. J. Caro, M. Bülow, H. Jobic, J. Kärger, B. Zibrowius, in: D.D. Eley, H. Pines, P.B. Weisz (Eds.), Advances in Catalysis, vol. 39, Academic Press, New York, 1993, p. 351.
9. D.M. Ruthven, Principles of Adsorption and Adsorption Processes, Wiley, New York, 1984.
10. J. Karger, D.M. Ruthven, Diffusion in zeolites and other microporous solids, Wiley, New York, 1992.
11. B.F. Chmelka, D. Raftery, A.V. McCormick, L.C. de Menorval, R.D. Levine, A. Pines, Phys. Rev. Lett. 66 (1991) 580.
12. J. Kärger, M. Petzold, H. Pfeifer, S. Ernst, J. Weitkamp, J. Catal. 136 (1992) 283.
13. J. Xiao, J. Wei, Chem. Eng. Sci. 47 (1992) 1143.
14. C.R.A. Callow (Ed.), Modelling of Structure and Reactivity in Zeolites, Academic Press, London, 1992.
15. S.J. Goodbody, K. Watanabe, D. MacGowan, J.P.R.B. Walton, N. Quirke, J. Chem. Soc., Faraday Trans. 87 (1991) 1951.
16. C.M. Freeman, C.R.A. Catlow, J.M. Thomas, S. Brode, Chem. Phys. Lett. 186 (1991) 137.
17. S. Yashonath, P. Santikary, J. Phys. Chem. 97 (1993) 13778.
18. R.L. June, A.T. Bell, D.N. Theodorou, J. Phys. Chem. 96 (1992) 1051.
19. D. Dumont, D. Bougeard, Zeolites 15 (1995) 650.
20. R.C. Deka, R. Vetrivel, J. Catal. 174 (1998) 88.
21. P.B. Weisz, Chemtech, August 1973, p. 498.
22. R.G. Pearson, J. Am. Chem. Soc. 85 (1963) 3533.
23. R.G. Parr, W. Yang, J. Am. Chem. Soc. 106 (1984) 4049.
24. S. Krishnamurty, R.K. Roy, R. Vetrivel, S. Iwata, S. Pal, J. Phys. Chem. A, 101 (1997) 7253.
25. M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunga, K.A. Nguyen, S.J. Su, T.L. Windus, M. Dupuis, J.A. Montgomery, J. Comput. Chem. 14 (1993) 1347.
26. Y. Tokumoto, I. Shimizu, S. Inoue, Eur. Pat. Appl., EP 414 207, 27 February 1991.
27. J.-P. Riew, A. Boucherie, H. Cousse, G. Mouzin, Tetrahedron 42 (1986) 4095.
28. S.R. Blaszkowski, R.A. van Santen, J. Phys. Chem. 99 (1995) 11728.
29. H.V. Brand, L.A. Curtiss, L.E. Iton, J. Phys. Chem. 96 (1992) 7725.
30. H.V. Brand, L.A. Curtiss, L.E. Iton, J. Phys. Chem. 97 (1993) 12773.
31. J. Sauer, in: C.R.A. Catlow (Ed.), Modelling of Structure and Reactivity in Zeolites, Academic Press, London, 1992.
32. C.T. Chu, C.D. Chang, J. Phys. Chem. 89 (1985) 1569.
33. J. Datka, M. Kawalek, J. Chem. Soc., Faraday Trans. 89 (1993) 1829.
34. S.V. Awate, P.N. Joshi, M.J. Eapen, V.P. Shiralkar, J. Phys. Chem. 97 (1993) 6042.
35. R. Vetrivel, R.C. Deka, A. Chatterjee, M. Kubo, E. Broclawik, A. Miyamoto, in: J.S. Murray, K.Sen (Eds.), Molecular Electrostatic Potentials - Concepts and Applications, Elsevier, Amsterdam, 1996, p. 509.
36. P.E. Sinclair, C.R.A. Catlow, J. Chem. Soc., Faraday Trans. 92 (1996) 2099.
37. A. Corma, G. Sastre, P. Viruela, C. Zicovichwilson, J. Catal. 136 (1992) 521.
38. A. Corma, F. Llopis, P. Viruela, C. Zicovichwilson, J. Am. Chem. Soc. 116 (1994) 134.