Theoretical study of C-C bond formation in the methanol-to- gasoline process

Journal of the American Chemical Society

Volumn 119, Issue 21, 1997, Pages 5020-5027

  Blaszkowski, Solange R ^a   Van Santen, Rutger A ^a  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

GASOLINE; METHANOL;

ADSORPTION; ARTICLE; CATALYSIS; CHEMICAL BOND; REACTION ANALYSIS; SYNTHESIS;

EID: 0030992634     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja963530x     Document Type: Article

References (81)

1. (a) Meisel, S. L.; McCullogh, J. P.; Lechthaler, C. H.; Weisz, P. B. CHEMTECH 1976, 6, 86.
2. (b) Chang, C. D. Hydrocarbons from Methanol; Marcel Dekker: New York, 1983.
3. (a) Thursfield, A.; Anderson, M. W. J. Phys. Chem. 1996, 100, 6698.
4. (b) Benito, P. L.; Gayubo, A. G.; Aguayo, A. T. Castilla, M.; Bilbao, J. Ind. Eng. Chem. Res. 1996, 35, 81.
5. (c) Munson, E. J.; Kheir, A. A.; Haw, J. F. J. Phys. Chem. 1993, 97, 7321.
6. (d) Bandiera, J.; Naccache, C. App. Catal. 1991, 69, 139.
7. (e) Spivey, J. J. Chem. Eng. Commun. 1991, 110, 123.
8. (f) Qinwei, Z.; Jingfa, D. J. Catal. 1989, 116, 299.
9. (g) Derouane, E. G.; Nagy, J. B. ACS Symp. Ser. 1984, 248, 101.
10. (h) Chang, C. D. Catal. Rev.-Sci. Eng. 1983, 25, 1.
11. (i) Dessau, R. M.; LaPierre, R. B. J. Catal. 1982, 78, 136.
12. (j) Derouane, E. G.; Nagy, J. B.; Dejaifve, P.; van Hooff, J. H. C.; Spekman, B. P.; Vdrine, J. C.; Naccache, C. J. Catal. 1978, 53, 40.
13. (k) Salvador, P.; Kladnig, W. J. Chem. Soc., Faraday Trans. 1 1977, 73, 1153.
14. (l) Salvador, P.; Fripiat, J. J. J. Phys. Chem. 1975, 79, 1842.
15. (a) Chang, C. D.; Silvestri, A. J. J. Catal. 1977, 47, 249.
16. (b) Lee, C. S.; Wu, M. M. J. Chem. Soc., Chem. Commun. 1985, 250.
17. (c) Clarke, J. K. A.; Darcy, R.; Hegarty, B. F.; O'Donoghue, E.; Amir-Ebrahimi, V.; Rooney, J. J. J. Chem. Soc., Chem. Commun. 1986, 425.
18. van den Berg, J. P.; Wolthuizen, J. P.; van Hooff, J. H. C. Proceedings of the 5th International Conference on Zeolites; Rees, L. V. C., Ed.; Heyden: London, 1980; p 649.
19. Olah, G. A.; Doggweiler, A.; Feldberg, J. D.; Frohlich, S.; Grdina, M. J.; Karpeles, R.; Keumi, T.; Inabe, S.; Ip, W. M.; Lammertsma, K.; Salem, G.; Tabor, D. C. J. Am. Chem. Soc. 1984, 106, 2143.
20. Ono, Y.; Mori, T. J. J. Chem. Soc., Faraday Trans. 1 1981, 77, 2209.
21. Jackson, J. E.; Bertsch, F. M. J. Am. Chem. Soc. 1990, 112, 9085.
22. (a) Hutchings, G. J.; Hunter, R. Catal. Today 1990, 6, 279.
23. (b) Hutchings, G. J.; van Rensburg, L. J.; Pickl, W.; Hunter, R. J. Chem. Soc., Faraday Trans. 1 1988, 84, 1311.
24. (c) Hutchings, G. J.; Gottschalk, F.; Hall, M. V. M.; Hunter, R. J. Chem. Soc., Faraday Trans. 1 1987, 83, 571.
25. (d) Forester, T. R.; Howe, R. F. J. Am. Chem. Soc. 1987, 109, 5076.
26. (a) Munson, E. J.; Kheir, A. A.; Lazo, N. D.; Haw, J. F. J. Phys. Chem. 1992, 96, 7740.
27. (b) Munson, E. J.; Lazo, N. D.; Moellenhoff, M. E.; Haw, J. F. J. Am. Chem. Soc. 1991, 113, 2783.
28. Blaszkowski, S. R.; van Santen, R. A. Top. Catal. Accepted for publication.
29. (a) Hutchings, G. J.; Hunter, R.; Johnston, P.; van Rensburg, L. J. J. Catal. 1993, 142, 602.
30. (b) Hutchings, G. J.; Johnston, P. Appl. Catal. 1990, 67, L5.
31. Sulikowski, B.; Klinowski, J. Appl. Catal. A: General 1992, 89, 69.
32. Hutchings, G. J.; Lee, D. F.; Lynch, M. Appl. Catal. A: General 1993, 106, 115.
33. (a) Kubelková, L.; Nováková, J.; Nedomová, K. J. Catal. 1990, 124, 441.
34. (b) Nováková, J.; Kubelková, L.; Dolejsek, Z. J. Catal. 1987. 108, 208.
35. (c) Nováková, J.; Kubelková, L.; Dolejsek, Z. J. Catal. 1986, 97, 277.
36. (d) Kubelková, L.; Nováková, J.; J'ru, P. In Structure and Reactivity of Modified Zeolites; Jacobs, P. A., Jaeger, N. J., J'ru, P., Kazansky, V. B., Schultz-Ekloff, G., Eds.; Elsevier: Amsterdam, 1984, p 217.
37. Brunner, G. O. Zeolites 1987, 7, 9.
38. (a) Greatbanks, S. P.; Hillier, I. H.; Burton, N. A.; Sherwood, P. J. Chem. Phys. 1996, 105, 3770.
39. (b) Limtrakul, L. Chem. Phys. 1995, 193, 79.
40. (c) Haase, F.; Sauer, J. J. Phys. Chem. 1994, 98, 3083.
41. (d) Bates, S.; Dwyer, J. J. Mol. Struct. (THEOCHEM) 1994, 306, 57.
42. (e) Sauer, J.; Kšmel, C.; Haase, F.; Ahlrichs, R. In Proceedings of the 7th International Zeolite Conference, Montreal 1992; von Ballamos, R., Higgins, J. B., Treacy, M. M. J., Eds.; Butterworth: London, 1993; p 679.
43. (f) Gale, J. D.; Catlow, C. R. A.; Carruther, J. R. Chem. Phys. Lett. 1993, 216, 155.
44. (g) Gale, J. D.; Catlow, C. R. A.; Cheetham, A. K. J. Chem. Soc., Chem. Commun. 1991, 3, 178.
45. (h) Vetrivel, R.; Catlow, C. R. A.; Colbourn, E. A. J. Phys. Chem. 1989, 93, 4594.
46. Blaszkowski, S. R.; van Santen, R. A. J. Phys. Chem. 1995, 99, 11728.
47. Zicovich-Wilson, C. M.; Viruela, P.; Corma, A. J. Phys. Chem. 1995, 99, 13224.
48. Shah, R.; Gale, J. D.; Payne, M. C. J. Phys. Chem. 1996, 100, 11688.
49. (a) Messow, U.; Quitzsch, K.; Herden, H. Zeolites 1984, 4, 255.
50. (b) Jayamurthy, M.; Vasudevan, S. Catal. Lett. 1996, 36, 111.
51. (c) Referenced by: Sauer, J.; Ugliengo, P.; Garrone, E.; Saunders, V. R. Chem. Rev. 1994, 94, 2095.
52. Blaszkowski, S. R.; van Santen, R. A. J. Phys. Chem. Accepted for publication.
53. Gale, J. D. Top. Catal. 1996, 3, 169.
54. Haase, F.; Sauer, J. J. Am. Chem. Soc. 1995, 117, 3780.
55. Shah, R.; Payne, M. C.; Lee, M.-H.; Gale, J. D. Science 1996, 271, 1395.
56. Nusterer, E.; Blšchl, P. E.; Schwarz, K. Angew. Chem., Int. Ed. Engl. 1996, 35, 175.
57. Krossner, M.; Sauer, J. J. Phys. Chem. 1996, 100, 6199.
58. Blaszkowski, S. R.; Nascimento, M. A. C.; van Santen, R. A. J. Phys. Chem. 1996, 100, 3463.
59. Blaszkowski, S. R.; van Santen, R. A. J. Am. Chem. Soc. 1996, 118, 5152.
60. Sinclair, P. E.; Catlow, C. R. A. J. Chem. Soc., Faraday Trans. 1996, 92, 2099.
61. (a) Hohenberg, P.; Kohn, W. Phys. Rev. B 1964, 136, 864.;
62. (b) Kohn, W.; Sham, L. J. Phys. Rev. A 1965, 140, 1133.
63. Andzelm, J.; Wimmer, E. J. Chem. Phys. 1992, 96, 1280.
64. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
65. Perdew, J. P. Phys. Rev. B 1986, 33, 8822.
66. Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
67. Godbout, N.; Andzelm, J.; Wimmer, E.; Salahub, D. R. Can. J. Chem. 1992, 70, 560.
68. (a) Sauer, J. Chem. Rev. 1989, 89, 199.
69. (b) Radzio, E.; Andzelm, J.; Salahub, D. R. J. Comp. Chem. 1985, 6, 553.
70. Andzelm, J.; Russo, N.; Salahub, D. R. Chem. Phys. Lett. 1987, 142, 169.
71. Wilson, E. B.; Decius, J. C.; Cross, P. C. Molecular Vibrations; McGraw-Hill: New York, 1955.
72. (a) Kramer, G. J.; van Santen, R. A.; Emeis, C. A.; Novak, A. K. Nature 1993, 363, 529.
73. (b) Kramer, G. J.; van Santen, R. A. J. Am. Chem. Soc. 1995, 117, 1766.
74. Jayamurty, M., Vasudevan, S. Catal. Lett. 1996, 36, 11.
75. Olah, G. A.; Doggweiler, H.; Felberg, J. J. Org. Chem. 1984, 49, 2112. Vlak, G. A.; Surga Prush, G. K.; Ellis, R. W.; Olah, J. A. J. Chem. Soc. Chem. Commun. 1986, G.
76. Olah, G. A.; Doggweiler, H.; Felberg, J. J. Org. Chem. 1984, 49, 2112. Vlak, G. A.; Surga Prush, G. K.; Ellis, R. W.; Olah, J. A. J. Chem. Soc. Chem. Commun. 1986, G.
77. Guisnet, M. Stud. Surf. Sci. Catal. 1985, 20, 273.
78. Evleth, E. M.; Kassab, E.; Jessri, H.; Allavena, M.; Montero, L.; Sierra, L. R. J. Phys. Chem. 1996, 100, 11368.
79. (a) Senchenya, I. N.; Kazansky, V. B. Catal. Lett. 1991, 8, 317.
80. (b) Kazansky V. B. Acc. Chem. Res. 1991, 24, 379.
81. Kazansky, V. B.; Frash, M.; van Santen, R. A. Proceedings of the 11th International Congress of Catalysis - 40th Anniversary; Hightower, J. W., Delgass, W. N., Iglesia, E., Bell, A. T., Eds.; Elsevier: Amsterdam, 1996; p 1233.