Cluster Monte Carlo simulations of phase transitions and critical phenomena in zeolites

Journal of Chemical Physics

Volumn 113, Issue 9, 2000, Pages 3697-3703

  Dukovski, Ilija ^a   Machta, Jonathan ^a   Saravanan, Chandra ^a,c   Auerbach, Scott M ^b  

^a UNIVERSITY OF MASSACHUSETTS   (United States)

^b University of Massachusetts   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ALGORITHMS; BENZENE; BINDING ENERGY; CHEMICAL BONDS; FREE ENERGY; MONTE CARLO METHODS; PHASE TRANSITIONS; THERMAL EFFECTS; THERMODYNAMIC PROPERTIES;

GUEST GUEST ENERGY; HOST GUEST ENERGY; THERMODYNAMIC INTEGRATION;

ZEOLITES;

EID: 0034271959     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1287655     Document Type: Article

References (66)

1. S. J. Gregg and K. S. W. Sing, Adsorption, Surface Area and Porosity (Academic, New York, 1982).
2. Physcial Adsorption: Experiment, Theory and Applications, edited by J. Fraissard and W. C. Conner (NATO ASI series, Kluwer Academic, Dordrecht, 1996).
3. R. Radhakrishnan and K. E. Gubbins, Phys. Rev. Lett. 79, 2847 (1997).
4. T. Maris, T. J. H. Vlugt, and B. Smit, J. Phys. Chem. B 102, 7183 (1998).
5. J. G. Pearson, B. F. Chmelka, D. N. Shykind, and A. Pines, J. Phys. Chem. 96, 8517 (1992).
6. C. Saravanan and S. M. Auerbach, J. Chem. Phys. 107, 8120 (1997).
7. M. F. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford Science, Oxford, 1987).
8. C. Saravanan, Ph.D. thesis, University of Massachusetts at Amherst, 1999.
9. B. K. Peterson and K. E. Gubbins, Mol. Phys. 62, 215 (1987).
10. K. S. Page and P. Monson, Phys. Rev. E 54, 6557 (1996).
11. D. Barthomeuf and B. H. Ha, J. Chem. Soc., Faraday Trans. 69, 2147 (1973).
12. D. Barthomeuf and B. H. Ha, J. Chem. Soc., Faraday Trans. 69, 2158 (1973).
13. O. Redner, J. Machta, and L. F. Chayes, Phys. Rev. E 58, 2749 (1998).
14. L. F. Chayes, J. Machta, and O. Redner, J. Stat. Phys. 93, 17 (1998).
15. J. Machta, Int. J. Mod. Phys. C 10, 1427 (1999).
16. A. N. Fitch, H. Jobic, and A. Renouprez, J. Phys. Chem. 90, 1311 (1986).
17. G. Vitale, C. F. Mellot, L. M. Bull, and A. K. Cheetham, J. Phys. Chem. B 101, 4559 (1997).
18. D. H. Olson, Zeolites 15, 439 (1995).
19. C. Saravanan, F. Jousse, and S. M. Auerbach, Phys. Rev. Lett. 80, 5754 (1998).
20. F. Jousse and S. M. Auerbach, J. Chem. Phys. 107, 9629 (1997).
21. N. J. Henson, A. K. Cheetham, M. Stockenhuber, and J. A. Lercher, J. Chem. Soc., Faraday Trans. 94, 3759 (1998).
22. R. H. Swendsen and J.-S. Wang, Phys. Rev. Lett. 58, 86 (1987).
23. U. Wolff, Phys. Rev. Lett. 62, 361 (1989).
24. M. E. J. Newman and G. T. Barkema, Monte Carlo Methods in Statistical Physics (Oxford, Oxford, 1999).
25. D. P. Landau, Phys. Rev. B 16, 4164 (1977).
26. C. Martin, J. P. Coulomb, Y. Grillet, and R. Kahn, Fundamentals of Adsorption: Proceedings of the Fifth International Conference, edited by M. D. LeVan (Kluwer Academic, Boston, 1996), p. 587.
27. C. Saravanan and S. M. Auerbach, J. Chem. Phys. 110, 11000 (1999).
28. S. M. Auerbach, Int. Rev. Phys. Chem. 19, 155 (2000).
29. J. Kärger and H. Pfeifer, Zeolites 7, 90 (1987).
30. O. H. Tezel and D. M. Ruthven, J. Colloid Interface Sci. 139, 581 (1990).
31. L. M. Bull, N. J. Henson, A. K. Cheetham, J. M. Newsam, and S. J. Heyes, J. Phys. Chem. 97, 11776 (1993).
32. D. Frenkel and B. Smit, Understanding Molecular Simulations (Academic, San Diego, 1996).
33. V. Lachet, A. Boutin, B. Tavitian, and A. H. Fuchs, J. Phys. Chem. B 102, 9224 (1998).
34. S. J. Gregg and K. S. W. Sing, Adsorption, Surface Area and Porosity (Academic, New York, 1982).
35. Physcial Adsorption: Experiment, Theory and Applications, edited by J. Fraissard and W. C. Conner (NATO ASI series, Kluwer Academic, Dordrecht, 1996).
36. R. Radhakrishnan and K. E. Gubbins, Phys. Rev. Lett. 79, 2847 (1997).
37. T. Maris, T. J. H. Vlugt, and B. Smit, J. Phys. Chem. B 102, 7183 (1998).
38. J. G. Pearson, B. F. Chmelka, D. N. Shykind, and A. Pines, J. Phys. Chem. 96, 8517 (1992).
39. C. Saravanan and S. M. Auerbach, J. Chem. Phys. 107, 8120 (1997).
40. M. F. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford Science, Oxford, 1987).
41. C. Saravanan, Ph.D. thesis, University of Massachusetts at Amherst, 1999.
42. B. K. Peterson and K. E. Gubbins, Mol. Phys. 62, 215 (1987).
43. K. S. Page and P. Monson, Phys. Rev. E 54, 6557 (1996).
44. D. Barthomeuf and B. H. Ha, J. Chem. Soc., Faraday Trans. 69, 2147 (1973).
45. D. Barthomeuf and B. H. Ha, J. Chem. Soc., Faraday Trans. 69, 2158 (1973).
46. O. Redner, J. Machta, and L. F. Chayes, Phys. Rev. E 58, 2749 (1998).
47. L. F. Chayes, J. Machta, and O. Redner, J. Stat. Phys. 93, 17 (1998).
48. J. Machta, Int. J. Mod. Phys. C 10, 1427 (1999).
49. A. N. Fitch, H. Jobic, and A. Renouprez, J. Phys. Chem. 90, 1311 (1986).
50. G. Vitale, C. F. Mellot, L. M. Bull, and A. K. Cheetham, J. Phys. Chem. B 101, 4559 (1997).
51. D. H. Olson, Zeolites 15, 439 (1995).
52. C. Saravanan, F. Jousse, and S. M. Auerbach, Phys. Rev. Lett. 80, 5754 (1998).
53. F. Jousse and S. M. Auerbach, J. Chem. Phys. 107, 9629 (1997).
54. N. J. Henson, A. K. Cheetham, M. Stockenhuber, and J. A. Lercher, J. Chem. Soc., Faraday Trans. 94, 3759 (1998).
55. R. H. Swendsen and J.-S. Wang, Phys. Rev. Lett. 58, 86 (1987).
56. U. Wolff, Phys. Rev. Lett. 62, 361 (1989).
57. M. E. J. Newman and G. T. Barkema, Monte Carlo Methods in Statistical Physics (Oxford, Oxford, 1999).
58. D. P. Landau, Phys. Rev. B 16, 4164 (1977).
59. C. Martin, J. P. Coulomb, Y. Grillet, and R. Kahn, Fundamentals of Adsorption: Proceedings of the Fifth International Conference, edited by M. D. LeVan (Kluwer Academic, Boston, 1996), p. 587.
60. C. Saravanan and S. M. Auerbach, J. Chem. Phys. 110, 11000 (1999).
61. S. M. Auerbach, Int. Rev. Phys. Chem. 19, 155 (2000).
62. J. Kärger and H. Pfeifer, Zeolites 7, 90 (1987).
63. O. H. Tezel and D. M. Ruthven, J. Colloid Interface Sci. 139, 581 (1990).
64. L. M. Bull, N. J. Henson, A. K. Cheetham, J. M. Newsam, and S. J. Heyes, J. Phys. Chem. 97, 11776 (1993).
65. D. Frenkel and B. Smit, Understanding Molecular Simulations (Academic, San Diego, 1996).
66. V. Lachet, A. Boutin, B. Tavitian, and A. H. Fuchs, J. Phys. Chem. B 102, 9224 (1998).