The adsorption of benzene on industrially important nanostructured catalysts (H-BEA, H-ZSM-5, and H-FAU): Confinement effects

Journal of Molecular Structure

Volumn 733, Issue 1-3, 2005, Pages 239-246

  Rungsirisakun, Ratana ^a   Jansang, Bavornpon ^a   Pantu, Piboon ^a   Limtrakul, Jumras ^a  

^a Fac Science   (Thailand)

Author keywords

BEA zeolite; Benzene adsorption; DFT study; Faujasite zeolite; ONIOM; ZSM 5 zeolite

Indexed keywords

ADSORPTION ENERGIES; MOLECULAR MECHANICS;

ADSORPTION; CATALYSTS; NANOSTRUCTURED MATERIALS; REACTION KINETICS; ZEOLITES;

BENZENE;

AROMATIC HYDROCARBON; BENZENE; ZEOLITE;

ADSORPTION; ARTICLE; CATALYSIS; CHEMICAL INTERACTION; ENERGY TRANSFER; MOLECULAR DYNAMICS; MOLECULAR MODEL; NANOPARTICLE;

EID: 8144220811     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2004.09.002     Document Type: Article

References (54)

1. C.R.A. Catlow Modeling of Structure and Reactivity in Zeolites 1992 Academic Press San Diego
2. R.A. van Santen, and G.J. Kramer Chem. Rev. 95 1995 637
3. N.O. Gonzales, A.T. Bell, and A.K. Chakraborty J. Phys. Chem. B 101 1997 10058
4. S. Bordiga, G. Ricchiardi, G. Spoto, D. Scarano, L. Carnelli, A. Zecchina, and C.O. Arean J. Chem. Soc. Faraday Trans. 89 1993 1843
5. J. Sauer, P. Ugliengo, E. Garrone, and V.R. Saunders Chem. Rev. 94 1994 2095
6. M. Sierka, and J. Sauer J. Phys. Chem. B 105 2001 1603
7. Y. Huang, and H. Wang Langmuir 19 2003 9706
8. J. Limtrakul Chem. Phys. 193 1995 79
9. W.H. Chen, A. Pradhan, S.J. Jong, T.Y. Lee, I. Wang, T.C. Tsai, and S.B. Liu J. Catal. 163 1996 436
10. A.H. de Vries, P. Sherwood, S.J. Collins, A.M. Rigby, M. Rigutto, and G.J. Kramer Phys. Chem. B 103 1999 6133
11. J. Pardillos, D. Brunel, B. Coq, P. Massiani, L.C. De Ménorval, and F. Figueras J. Am. Chem. Soc. 112 1990 1313
12. G. Bellussi, G. Pazzuconi, C. Perego, G. Girotti, and G. Terzoni J. Catal. 157 1995 227
13. E.G. Derouane, J.M. Andre, and A.A. Lucus J. Catal. 110 1988 58
14. E.G. Derouane, and C.D. Chang Microporous Mesoporous Mater. 35-36 2000 425
15. E.G. Derouane J. Mol. Catal. A 29 1998 134
16. S.M. Babitz, B.A. Williams, J.T. Miller, R.Q. Snurr, W.O. Haag, and H.H. Kung Appl. Catal. A 179 1999 71
17. R. Shah, J.D. Gale, and M.C. Payne Chem. Commun. 1997 131
18. Y. Jeanvoine, J.G. Angyan, G. Kresse, and J. Hafner J. Phys. Chem. B 102 1998 5573
19. J. Limtrakul, S. Nokbin, S. Jungsuttuwong, and P. Khongpracha Stud. Surf. Sci. Catal. 135 2001 2469
20. P. Treesukol, J. Limtrakul, and T. Truong J. Phys. Chem. B 105 2001 2421
21. J. Sauer, and M. Sierka J. Comput. Chem. 21 2000 1470
22. E.H. Teunissen, A.P. Jansen, R.A. van Santen, R. Orlando, and R. Dovesi J. Chem. Phys. 101 1994 5865
23. V. Dungsrikaew, J. Limtrakul, K. Hermansson, and M. Probst Int. J. Quantum Chem. 96 2003 17
24. S. Ketrat, and J. Limtrakul Int. J. Quantum Chem. 94 2003 333
25. H.I. Hillier J. Mol. Struct. (Theochem) 463 1999 45
26. J. Limtrakul, S. Jungsuttuwong, and P. Khongpracha J. Mol. Struct. 525 2000 153
27. P.E. Sinclair, A.H. de Vries, P. Sherwood, C.R.A. Catlow, and R.A. van Santen J. Chem. Soc. Faraday Trans. 94 1998 3401
28. M. Brandle, and J. Sauer J. Am. Chem. Soc. 120 1998 1556
29. S.P. Greatbanks, I.H. Hillier, N.A. Burton, and P. Sherwood J. Chem. Phys. 105 1996 3770
30. R.Z. Khaliullin, A.T. Bell, and V.B. Kazansky J. Phys. Chem. A 105 2001 10454
31. J. Limtrakul, T. Nanok, P. Khongpracha, S. Jungsuttiwong, and T.N. Truong Chem. Phys. Lett. 349 2001 161
32. S. Dapprich, I. Komaromi, K.S. Byun, K. Morokuma, and M.J. Frisch J. Mol. Struct. (Theochem) 461 1999 1
33. M. Svensson, S. Humbel, R.D.J. Froese, T. Matsubara, S. Sieber, and K. Morokuma J. Phys. Chem. 100 1996 19357
34. S. Kasuriya, S. Namuangruk, P. Treesukol, M. Tirtowidjojo, and J. Limtrakul J. Catal. 219 2003 320
35. K. Bobuatong, and J. Limtrakul App. Catal. A, Gen. 253 2003 49
36. A. Pelmenschikov, and J. Leszczynski J. Phys. Chem. B 103 1999 6886
37. T.A. Wesolowski, O. Parisel, Y. Ellinger, and J. Weber J. Phys. Chem. A 101 1997 7818
38. L.A. Clark, M. Sierka, and J. Sauer J. Am. Chem. Soc. 125 2003 2136
39. A.M. Vos, X. Rozanska, R.A. Schoonheydt, R.A. van Santen, F. Hutschka, and J. Hafner J. Am. Chem. Soc. 123 2001 2799
40. X. Rozanska, R. van Santen, F. Hutschka, and J. Hafner J. Am. Chem. Soc. 123 2001 7655
41. C. Raksakoon, and J. Limtrakul J. Mol. Struct. (Theochem) 631 2003 147
42. W. Panjan, and J. Limtrakul J. Mol. Struct. 654 2003 35
43. H. van Koningveld, H. van Bekkum, and J.C. Jansen Acta Crystallogr. B 43 1987 127
44. D.H. Olson, and E. Dempsey J. Catal. 13 1969 221
45. A.K. Rappe, C.J. Casewit, K.S. Colwell, W.A. Goddard, and W.M. Skiff J. Am. Chem. Soc. 114 1992 10024
46. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, Jr., J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J.J. Dannenberg, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian, Inc., Pittsburgh, PA, 2001.
47. D. Frende, J. Klinoski, and H. Hamden Chem. Phys. Lett. 149 1988 355
48. J. Klinowski Chem. Rev. 91 1991 1459
49. V. Gutmann The Donor-Acceptor Approach to Molecular Interaction 1978 Plenum Press New York
50. V. Gutmann, G. Resch, and W. Linert Coord. Chem. Rev. 43 1982 133
51. E.N. Coker, C. Jia, and H.G. Karge Langmuir 16 2000 1205
52. J. Xie, M. Bousmina, G. Xu, and S. Kaliaguine J. Mol. Catal. A 135 1998 187
53. B. Coughlan, and M.A. Keane J. Chem. Soc. Faraday Trans. 86 1990 3961
54. R. Goyal, A.N. Fitch, and H. Jobic J. Phys. Chem. B 102 2000 2878