A statistical mechanics study of ring size, ring shape, and the relation to pores found in zeolites

Journal of Physical Chemistry B

Volumn 107, Issue 33, 2003, Pages 8612-8620

  Curtis, Robin A ^a,b   Deem, Michael W ^a,b  

^a Rice University   (United States)

^b RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AGENTS; COMPUTER SIMULATION; CRYSTALLINE MATERIALS; MONTE CARLO METHODS; PORE SIZE; STATISTICAL MECHANICS; THERMODYNAMIC PROPERTIES;

RING SHAPE; RING SIZE; STRUCTURE DIRECTING AGENTS;

ZEOLITES;

EID: 0042788892     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp027447+     Document Type: Article

References (37)

1. Davis, M. E. Chem. Eur. J. 1997, 3, 1745.
2. Davis, M. E. Nature 2002, 417, 813.
3. Zones, S. I.; Nakagawa, Y.; Lee, G. S.; Chen, C. Y.; Yuen, L. T. Microporous Mesoporous Mater. 1998, 21, 199.
4. Wessels, T.; Baerlocher, C.; McCusker, L. B.; Creyghton, E. J. J. Am. Chem. Soc. 1999, 121, 6242.
5. Yoshikawa, M.; Wagner, P.; Lovallo, M.; Tsuji, K.; Takewaki, T.; Chen, C.-Y.; Beck, L. W.; Jones, C.; Tsapatsis, M.; Zones, S. I.; Davis, M. E. J. Phys. Chem. B 1998, 102, 7139.
6. Wagner, P.; Zones, S. I.; Davis, M. E.; Medrud, R. C. Angew. Chem., Int. Ed. 1999, 38, 1269.
7. Helmkamp, M. M.; Davis, M. E. Annu. Rev. Mater. Sci. 1995, 25, 161.
8. Piccione, P. M.; Laberty, C.; Yang, S.; Camblor, M. A.; Navrotsky, A.; Davis, M. E. J. Phys. Chem. B 2000, 104, 10001.
9. Wu, G.; Deem, M. W. J. Chem. Phys. 2002, 116, 2125.
10. Falcioni, M.; Deem, M. W. J. Chem. Phys. 1999, 110, 1754 (http://www.mwdeem.rice.edu/zefsaII).
11. Deem, M. W.; Newsam, J. M. J. Am. Chem. Soc. 1992, 114, 7189.
12. Stixrude, L.; Bukowinski, M. S. T. Am. Mineral. 90, 75, 1159.
13. Baerlocher, C. H.; Meier, W. M.; Olson, D. H. Atlas of Zeolite Framework Types; 2001 (http://www.iza-structure.org/).
14. Nedelec, J. M.; Hench, L. L. J. Non-Cryst. Solids 1999, 255, 163.
15. Pereira, J. C. G.; Catlow, C. R. A.; Price, G. D. J. Phys. Chem. A 1999, 103, 3252.
16. Moravetski, V.; Hill, J.-R.; Eichler, U.; Cheetham, A. K.; Sauer, J. J. Am. Chem. Soc. 1996, 118, 13015.
17. Gibbs, G. V. Am. Mineral. 1982, 67, 421.
18. Blake, N. P.; Weakliem, P. C.; Metiu, H. J. Phys. Chem. B 1998, 102, 67.
19. Hill, J.-R.; Sauer, J. J. Phys. Chem. 1994, 98, 1238.
20. Tsuneyuki, S.; Tsukada, M.; Aoki, H.; Matsui, Y. Phys. Rev. Lett. 1988, 61, 869.
21. Vashishta, P.; Kalia, R. K.; Rino, J. P.; Ebbsjö, I. Phys. Rev. B 1990, 41, 12197.
22. Koudriachova, M. V.; Beckers, J. V. L.; de Leeuw, S. W. Comput. Mater. Sci. 2001, 20, 381.
23. Brotz, F. A.; de Pablo, J. Chem. Eng. Sci. 1994, 49, 3015.
24. Chandler, D. Introduction to Modern Statistical Mechanics; Oxford University Press: New York, 1987.
25. Torrie, G. M.; Valleau, J. P. J. Comput. Phys. 1977, 23, 187.
26. Bader, J. S.; Chander, D. J. Phys. Chem. 1992, 96, 6423.
27. Wagner, P.; Nakagawa, Y.; Lee, G. S.; Davis, M. E.; Elomari, S.; Medrud, R. C.; Zones, S. I. J. Am. Chem. Soc. 2000, 122, 263.
28. Henson, N. J.; Cheetham, A. K.; Gale, J. D. Chem. Mater. 1994, 6, 1647.
29. Rino, J. P.; Ebbsjö, I.; Kalia, R. K.; Nakano, A.; Vashishta, P. Phys. Rev. B 1993, 47, 3053.
30. Brunner, G. O.; Meier, W. M. Nature 1989, 337, 146.
31. Annen, M. J.; Davis, M. E.; Higgins, J. M.; Schlenker, J. L. J. Chem. Soc. Chem. Commun. 1991, 1175.
32. Annen, M. J.; Davis, M. E. Microporous Mater. 1993, 1, 57.
33. Lancaster, P.; Salkauskas, K. Curve and Surface Fitting; Academic Press: New York, 1986.
34. Davis, M. E.; Saldarriaga, C.; Montes, C.; Garces, J.; Crowder, C. Nature 1988, 331, 698.
35. Li, H.-X.; Davis, M. E. Catalysis Today 1994, 19, 61.
36. Petrovic, I.; Navrotsky, A.; Davis, M. E.; Zones, S. I. Chem. Mater. 1993, 5, 1805.
37. Piccione, P. M.; Yang, S.; Navrotsky, A.; Davis, M. E. J. Phys. Chem. B 2002, 106, 3629.