Interlayer arrangement of hydrated MgAl layered double hydroxides containing guest terephthalate anions: Comparison of simulation and measurement

Journal of Physical Chemistry B

Volumn 102, Issue 35, 1998, Pages 6710-6719

  Newman, Steven P ^b   Williams, Samuel J ^a   Coveney, Peter V ^a   Jones, William ^b  

^a SCHLUMBERGER CAMBRIDGE RESEARCH   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000938854     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp981426r     Document Type: Article

References (43)

1. Lavoix, F.; Lewis, M. Oil Gas J. 1992, 92 (Sept. 28), 87.
2. Fraser, L.; Enriquez, F. Pet. Eng. Int. 1992, June, 43.
3. Cavani, F.; Trifirò, F.; Vaccari, A. Catal. Today 1991, 11, 173-301.
4. de Roy, A.; Forano, C.; El Malki, K.; Besse, J.-P. In Anionic Clays: Trends in Pillaring Chemistry, Synthesis of Microporous Materials; Occeli, M. L., Robson, E. R., Eds.; Van Nostrand Reinhold: New York, 1992; Vol. 2, pp 108-169.
5. Vaccari, A. Appl. Clay Sci. 1995, 10, 1-3.
6. Newman, S. P.; Jones, W. New J. Chem. 1998, 22, 105-115.
7. Carlino, S. Solid State Ionics 1997, 98, 73-84.
8. Jones, W.; Kooli, F.; Bovey, J.; Newman, S. P. In The Latest Frontiers of Clay Chemistry: Proceedings of the Sapporo Conference on the Chemistry of Clays and Clay Minerals (Sapporo, Japan, 1996); Yamagishi, A., Aramata, A., Taniguchi, M., Eds.; the Smectite Forum of Japan: Sendai, Japan, 1998; pp 70-87.
9. Carrado, K. A.; Forman, J. E.; Botto, R. E.; Winans, R. E. Chem. Mater. 1993, 5, 472-478.
10. Chibwe, M.; Pinnavaia, T. J. J. Chem. Soc., Chem. Commun. 1993, 278-280.
11. Ukrainczyk, L.; Chibwe, M.; Pinnavaia, T. J.; Boyd, S. A. Environ. Sci. Technol. 1995, 29, 439-445.
12. Dekany, I.; Berger, F.; Imrik, K.; Lagaly, G. Colloid Polym. Sci. 1997, 275, 681-688.
13. Dutta, P. K.; Robins, D. S. Langmuir 1994, 10, 4681-4687.
14. Ogawa, M.; Kuroda, K. Chem. Rev. 1995, 95, 399-438.
15. Takagi, K.; Shichi, T.; Usami, H.; Sawaki, Y. J. Am. Chem. Soc. 1993, 115, 4339-4344.
16. Shichi, T.; Takagi, K.; Sawaki, Y. J. Chem. Soc., Chem. Commun. 1996, 2027-2028.
17. Shaw, B. R.; Deng, Y. P.; Strillacci, F. E.; Carrado, K. A.; Fessehaie, M. G. J. Electrochem. Soc. 1990, 137, 3136-3143.
18. Shaw, B. R.; Creasy, K. E. J. Electroanal. Chem. 1988, 243, 209-217.
19. Therias, S.; Mousty, C. Appl. Clay Sci. 1995, 10, 147-162.
20. Mousty, C.; Therias, S.; Forano, C.; Besse, J. P. J. Electroanal. Chem. 1994, 374, 63-69.
21. Bonnet, S.; Forano, C.; de Roy, A.; Besse, J. P. Chem. Mater. 1996, 8, 1962-1968.
22. Kooli, F.; Chisem, I. C.; Vucelic, M.; Jones, W. Chem. Mater. 1996, 8, 1969-1977.
23. Kanezaki, E.; Sugiyama, S.; Ishikawa, Y. J. Mater. Chem. 1995, 5, 1969-1972.
24. Kanezaki, E.; Kinugawa, K.; Ishikawa, Y. Chem. Phys. Lett. 1994, 226, 325-330.
25. Vucelic, M.; Moggridge, G. D.; Jones, W. J. Phys. Chem. 1995, 99, 9, 8328-8337.
26. Moore, D. M.; Hower, J. Clays Clay Miner. 1986, 34, 379-384.
27. Ruiz-Conde, A.; Ruiz-Amil, A.; Perez-Rodriguez, J. L.; Sanchez-Soto, P. J. J. Mater. Chem. 1996, 6, 1557-1566.
28. Bookin, A. S.; Cherkashin, V. I.; Drits, V. A. Clays Clay Miner. 1993, 41, 558-564.
29. Kukkadapu, R. K.; Witkowski, M. S.; Amonette, J. E. Chem. Mater. 1997, 9, 417-419.
30. 2 v.3.0 and v.3.5, Molecular Simulations Inc., 1996.
31. Aicken, M.; Bell, I. S.; Coveney, P. V.; Jones, W. Adv. Mater. 1997, 9, 496-500.
32. Bell, I. S.; Kooli, F.; Jones, W.; Coveney, P. V. Materials Research Society Proceedings, Spring 1996; 1996.
33. Williams, S. J.; Coveney, P. V.; Jones, W. Mol. Simul. submitted.
34. Allmann, R.; Jepsen, H. P. Neues Jahrb. Mineral. Monatsh 1969, 12, 544.
35. The chosen sizes of simulation cell were found to be the optimum to give accurate results without unreasonably long processing times.
36. Mayo, S. L.; Olafson, B. D.; Goddard, W. A., III. J. Phys. Chem. 1990, 94, 8897-8909.
37. Stewart, J. J. P. MOPAC version 6.0, QCPE No. 455 1990, Department of Chemistry, Indiana University: Bloomington, IN, 1990.
38. Boek, E. S.; Coveney, P. V.; Williams, S. J.; Bains, A. Mol. Simul. 1996, 18, 145-154.
39. Rappe, A. K.; Goddard, W. A., III. J. Phys. Chem. 1991, 95, 3358.
40. Hoover, W. H. Phys. Rev. A 1985, 31.
41. Boek, E. S.; Coveney, P. V.; Skipper, N. T. J. Am. Chem. Soc. 1995, 117, 12608-12617.
42. De Siqueira, A. V. C.; Skipper, N. T.; Coveney, P. V.; Boek, E. S. Mol. Phys. 1997, 92, 1-6.
43. Kagunya, W.; Dutta, P. K.; Lei, Z. Physcia B 1997, 234-236, 910-913.