Clinoptilolite-heulandite polymorphism: Structural features from computer simulation

Physical Chemistry Chemical Physics

Volumn 2, Issue 8, 2000, Pages 1803-1813

  Ruiz Salvador, A Rabdel ^a   Gómez, Ariel ^a   Lewis, Dewi W ^b   Catlow, C Richard A ^c   Rodríguez Albelo, L Marleny ^a   Montero, Luis ^a   Rodríguez Fuentes, Gerardo ^a  

^a UNIVERSITY OF HAVANA   (Cuba)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

^c DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CLINOPTILOLITE; HEULANDITE; UNCLASSIFIED DRUG; ZEOLITE;

ARTICLE; CATION TRANSPORT; CHEMICAL COMPOSITION; CHEMICAL STRUCTURE; COMPUTER SIMULATION; GEOMETRY; MATHEMATICAL COMPUTING; MOLECULAR INTERACTION; STRUCTURE ANALYSIS;

EID: 0034656047     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/a909671j     Document Type: Article

References (60)

1. 1 D. W. Breck, in Zeolites Molecular Sieves, Wiley, New York, 1974.
2. 2 S. Ramdas, J. M. Thomas, C. A. Fyfe and J. S. Hartman, Nature, 1981, 292, 228.
3. 3 J. B. Nagy, P. Bodart, H. Collette, J. El Hage-Al Assward, Z. Gabelica, R. Aiello, A. Nastro and C. Pellegrino, Zeolites, 1988, 8, 209.
4. 4 T. Takaishi, M. Kato and K. Itabashi, Zeolites, 1995, 15, 21.
5. 5 E. G. Derouane and J. G. Fripiat, Zeolites, 1985, 5, 165.
6. 6 K.-P. Schroder, J. Sauer, M. Leslie and C. R. A. Catlow, Zeolites, 1992, 12, 20.
7. 7 Y. M. Channon, C. R. A. Catlow, R. A. Jackson and S. L. Owens, Microscopic Mesoscopic Mater., 1998, 24, 153.
8. 8 J. M. Newsam, C. M. Freeman, A. M. Gorman and B. Vessal, Chem. Commun., 1996, 1945.
9. 9 A. M. Gorman, C. M. Freeman, C. M. Kolmel and J. M. Newsam, Faraday Discuss., 1997, 489.
10. 10 V. V. Guliants, J. T. Mullhaupt, J. M. Newsam, A. M. Gorman and C. M. Freeman, Catal. Today, 1999, 50, 661.
11. 11 W. Lowenstein, Am. Mineral., 1954, 39, 92.
12. 12 S. E. Tarling, P. Barnes and J. Klinowski, Acta Crystallogr. Sect. B, 1988, 44, 128.
13. 13 E. Dempsey, G. H. Kuhl and D. H. Olson, J. Phys. Chem., 1969, 73, 387.
14. 14 J. Morales, M. Bonilla-Marin and A. Langagne, Int. J. Quantum Chem., 1991, 25, 659.
15. 15 D. C. Sayle, C. R. A. Catlow, J. D. Gale, M. A. Perrin and P. Nortier, J. Phys. Chem. B, 1997, 101, 3331.
16. 16 C. J. J. Den Ouden, R. A. Jackson, C. R. A. Catlow and M. F. M. Post, J. Phys. Chem., 1990, 94, 5286.
17. 17 R. M. Barrer, Hydrothermal Chemistry of Zeolites, Academic Press, London, 1982.
18. 18 C. R. A. Catlow, A. R. George and C. M. Freeman, J. Chem. Soc., Chem. Commun., 1996, 1311.
19. 19 Modelling of Structure and Reactivity in Zeolites, ed. C. R. A. Catlow, Academic Press, London, 1992.
20. 20 C. R. A. Catlow, L. Ackermann, R. G. Bell, D. H. Gay, S. Holt, D. W. Lewis, M. A. Nygren, G. Sastre, D. C. Sayle and P. E. Sinclair, J. Mol. Catal. A, 1997, 115, 431.
21. 21 D. W. Lewis, C. R. A. Catlow, G. Sankar and S. W. Carr, J. Phys. Chem., 1995, 99, 2377.
22. 22 G. Sastre, D. W. Lewis and C. R. A. Catlow, J. Mol. Catal. A, 1997, 119, 349.
23. 23 N. J. Henson, A. K. Cheetham and J. D. Gale, Chem. Mater., 1996, 8, 664.
24. 24 A. R. Ruiz-Salvador, G. Sastre, D. W. Lewis and C. R. A. Catlow, J. Mater. Chem., 1996, 6, 1837.
25. 25 A. R. Ruiz-Salvador, D. W. Lewis, J. Rubayo-Soneira, G. Rodríguez-Fuentes, L. R. Sierra and C. R. A. Catlow, J. Phys. Chem. B, 1998, 102, 8417.
26. 26 A. R. Ruiz-Salvador, A. Gómez, D. W. Lewis, G. Rodríguez-Fuentes and L. Montero, Phys. Chem. Chem. Phys., 1999, 1, 1679.
27. 27 F. A. Mumpton, Proc. Nat. Acad. Sci., 1999, 96, 3463.
28. 28 E. L. Cooney, N. A. Booker, D. C. Shallcross and G. W. Stevens, Sep. Sci. Technol., 1999, 34, 2307.
29. 29 V. Gomonaj, K. Szekeresh, P. Gomonaj and N. Golub, Adsorpt. Sci. Technol., 1999, 17, 409.
30. 30 H. Faghihian, M. G. Marageh and H. Kazemian, Appl. Radiat. Isot., 1999, 50, 655.
31. 31 H. Mishima, K. Hashmoto, T. Ono and M. Anpo, Appl. Catal. B, 1998, 19, 119.
32. 32 G. Seo, M. W. Kim, J. H. Kim, B. J. Ahn, S. B. Hong and Y. S. Uh, Catal. Lett., 1998, 55, 105.
33. 33 N. F. Mott and M. J. Littleton, Trans. Faraday Soc., 1938, 34, 485.
34. 34 Y. Petrovic, A. Navrotsky, M. E. Davies and S. I. Zones, Chem. Mater., 1993, 5, 1805.
35. 35 A. Alberti, Tschermaks Mineral. Petrogr. Mitt., 1972, 18, 129.
36. 36 A. Alberti, Tschermaks Mineral. Petrogr. Mitt., 1975, 22, 25.
37. 37 M. Slaughter and J.-Y. Yu, in Natural Zeolites '93, ed. D. W. Ming and F. A. Mumpton, Brockport, New York, 1993, p. 209.
38. 38 K. Koyama and Y. Takeuchi, Z. Kristallogr., 1977, 145, 216.
39. 39 N. Bresciani-Pahor, M. Calligaris, G. Nardin, L. Randaccio, E. Russo and P. Camin-Chiaramonti, J. Chem. Soc., Dalton Trans., 1980, 1511.
40. 40 N. Bresciani-Pahor, M. Calligaris, G. Nardin and L. Randaccio, J. Chem. Soc., Dalton Trans., 1981, 2288.
41. 41 W. Mortier and J. R. Pearce, Am. Mineral., 1981, 66, 309.
42. 42 E. Galli, G. Gottardi, H. Mayer, A. Preisinger and E. Passaglia, Acta Cryst. B, 1983, 39, 189.
43. 43 T. W. Hambley and J. C. Taylor, J. Solid State Chem., 1984, 54, 1.
44. 44 J. R. Smyth, A. T. Spaid and D. L. Bish, Am. Mineral., 1990, 75, 522.
45. 45 T. Armbruster and M. E. Gunter, Am. Mineral., 1991, 76, 1872.
46. 46 T. Armbruster, Am. Mineral., 1993, 78, 260.
47. 47 M. E. Gunter, T. Armbruster, T. Kohler and C. R. Knowles, Am. Mineral., 1994, 79, 675.
48. 48 P. Yang and T. Armbruster, J. Solid State Chem., 1996, 123, 140.
49. 49 P. Yang and T. Armbruster, Eur. J. Mineral., 1998, 10, 461.
50. 50 A. Sani, G. Vezzalini, P. Ciambelli and M. T. Rapacciuolo, Microscopic Mesoscopic Mater., 1999, 31, 263.
51. 51 F. A. Mumpton, Am. Mineral., 1960, 45, 351.
52. 52 Computer simulation of Solids, Ed. C. R. A. Catlow and W. C. Mackrodt, Springer-Verlag, Berlin, 1982.
53. 53 J. D. Gale, J. Chem. Soc., Faraday Trans., 1997, 93, 629.
54. 54 ICSD, Daresbury laboratory.
55. 55 P. A. Barrett, S. Valencia and M. A. Camblor, J. Mater. Chem., 1998, 8, 2263.
56. 56 J. J. Pluth and J. V. Smith, J. Am. Chem. Soc., 1980, 102, 4707.
57. 57 R. A. Jackson and C. R. A. Catlow, Mol. Simul., 1988, 1, 207.
58. 58 W. J. Meier, Compilation of Extra Framework Sites in Zeolites, Butterworths, Guildford, 1982.
59. 59 G. Sankar, D. W. Lewis, F. Rey, C. R. A. Catlow and J. M. Thomas, submitted.
60. 60 A. Alberti and G. Vezzalini, Tschermaks Mineral. Petrogr. Mitt., 1983, 31, 259.