Capturing the concentration dependence of trans-2-butene diffusion in silicalite-2 zeolite with a jump diffusion model

Journal of Physical Chemistry B

Volumn 102, Issue 34, 1998, Pages 6507-6514

  Jousse, Fabien ^a,c   Auerbach, Scott M ^a,b   Vercauteren, Daniel P ^c  

^a UNIVERSITY OF MASSACHUSETTS   (United States)

^b University of Massachusetts   (United States)

^c UNIVERSITY OF NAMUR   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001540671     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp980856e     Document Type: Article

References (45)

1. Breck, D. W. Zeolite Molecular Sieves; John Wiley: New York, 1974.
2. Kärger, J.; Ruthven, D. M. Diffusion in Zeolites and Other Microporous Solids; John Wiley: New York, 1992.
3. Chen, N. Y.; Degnan, T. F.; Smith, C. M. Molecular Transport and Reaction in Zeolites; VCH Publishers: New York, 1994.
4. Jousse, F.; Leherte, L.; Vercauteren, D. P. J. Phys. Chem. B 1997, 101, 4717.
5. Catlow, C. R. A., Ed. Modelling of Structure and Reactivity in Zeolites; Academic Press: London, 1992.
6. Leherte, L.; André, J.-M.; Derouane, E. G.; Vercauteren, D. P. Int. J. Quantum Chem. 1992, 42, 1291.
7. Jousse, F.; Leherte, L.; Vercauteren, D. P. J. Mol. Catal. 1997, 119, 165.
8. Chandler, D. J. Chem. Phys. 1978, 68, 2959.
9. Voter, A. F.; Doll, J. D. J. Chem. Phys. 1984, 80, 5832.
10. Voter, A. F.; Doll, J. D. J. Chem. Phys. 1985, 82, 80.
11. June, R. L.; Bell, A. T.; Theodorou, D. N. J. Phys. Chem. 1991, 95, 8866.
12. Auerbach, S. M.; Henson, N. J.; Cheetham, A. K.; Metiu, H. I. J. Phys. Chem. 1995, 99, 10600.
13. Auerbach, S. M.; Bull, L. M.; Henson, N. J.; Metiu, H. I.; Cheetham, A. K. J. Phys. Chem. 1996, 100, 5923.
14. Maginn, E. J.; Bell, A. T.; Theodorou, D. N. J. Phys. Chem. 1996, 100, 7155.
15. Mosell, T.; Schrimpf, G.; Brickmann, J. J. Phys. Chem. 1996, 100, 4582.
16. Auerbach, S. M.; Metiu, H. I. J. Chem. Phys. 1997, 106, 2893.
17. Jousse, F.; Auerbach, S. M. J. Chem. Phys. 1997, 107, 9629.
18. Blöchl, P. E.; van de Walle, C. G.; Pantelides, S. T. Phys. Rev. Lett. 1990, 64, 1401.
19. van Tassel, P. R.; Somers, S. A.; Davis, H. T.; McCormick, A. V. Chem. Eng. Sci. 1994, 49, 2979.
20. Chen, Y. D.; Yang, R. T. AIChE J. 1991, 37, 1579.
21. Theodorou, D. N.; Wei, J. J. Catal. 1983, 83, 205.
22. Nelson, P.; Wei, J. J. Catal. 1992, 136, 263.
23. Chvoj, Z.; Conrad, H.; Cháb, V. Surf. Sci. 1996, 352-354, 983.
24. Jousse, F.; Leherte, L.; Vercauteren, D. P. Mol. Simul. 1996, 17, 175.
25. Auerbach, S. M.; Metiu, H. I. J. Chem. Phys. 1996, 105, 3753.
26. Auerbach, S. M. J. Chem. Phys. 1997, 106, 7810.
27. Saravanan, C.; Auerbach, S. M. J. Chem. Phys. 1997, 106, 7810.
28. Harrison, I. D.; Leach, H. F.; Whan, D. A. Zeolites 1987, 7, 21.
29. O'Young, C.-L.; Pellet, R. J.; Casey, D. G.; Ugolini, J. R.; Sawicki, R. A. J. Catal. 1995, 151, 467.
30. Seo, G.; Jeong, H. S.; Hong, S. B.; Uh, Y. S. Catal. Lett. 1996, 36, 249.
31. Murch, G. E. In Diffusion in Crystalline Solids; Murch, G. E., Nowick, A. S., Eds.; Academic Press: Orlando, FL, 1984; p 379.
32. Meier, W. M.; Olson, D. H. Atlas of Zeolite Structure Types; Butterworth-Heinemann: London, 1992.
33. Fyfe, C. A.; Gies, H.; Kokotailo, G. T.; Pasztor, C.; Strobl, H.; Cox, C. E. J. Am. Chem. Soc. 1989, 111, 2470.
34. Terasaki, O.; Ohsuna, T.; Sakuma, H.; Watanabe, D.; Nakagaw, Y.; Medrud, R. C. Chem. Mater. 1996, 8, 463.
35. Mooiweer, H. H.; de Jong, K. P.; Kraushaar-Czarnetzki, B.; Stork, W. H. J.; Krutzen, B. C. H. In Studies in Surface Science and Catalysis 84; Weitkamp, J., Karge, H. G., Pfeifer, H., Holderich, W., Eds.; Elsevier: Amsterdam, 1994; p 2327.
36. Discover User Guide, version 95.0; Biosym/MSI: San Diego, CA, 1995.
37. Allen, M. P.; Tildesley, D. J. Computer Simulations of Liquids; Clarendon Press: Oxford, 1987.
38. Beenakker, J. J. M.; Kušçer, I. Zeolites 1996, 17, 346.
39. Montroll, E. W.; Weiss, G. H. J. Math. Phys. 1965, 6, 167.
40. Fedders, P. A.; Sankey, O. F. Phys. Rev. B 1977, 15, 3580.
41. Simon, H. J. Phys. A: Math. Gen. 1995, 28, 6585.
42. Czarnecki, G.; Dudek, M. R.; Pȩkalski, A.; Cisło J. J. Phys. A: Math. Gen. 1996, 29, 3367.
43. Le Claire, A. D. In Physical Chemistry: An Advanced Treatise, volume X - Solid State; Jost, W., Ed.; Academic Press: New York, 1970; p 261.
44. Benoist, P.; Bocquet, J.-L.; Lafore, P. Acta Metallurgica 1977, 25, 265.
45. Wolf, D. Mass Transport in Solids; Bénière, F., Catlow, C. R. A., Eds.; In NATO ASI Series B: Physics 97; Plenum Press: New York, 1983; p 149.