Effective harmonic potential for aluminophosphate molecular sieves: Application to AlPO4-5

Microporous and Mesoporous Materials

Volumn 42, Issue 1, 2001, Pages 103-111

  Demontis, P ^a   González, J Gulín ^a,c   Suffritti, G B ^a   Tilocca, A ^a   De Las Pozas, C ^b  

^a UNIVERSITY OF SASSARI   (Italy)

^b NATL CENTER FOR SCIENTIFIC RESEARCH   (Cuba)

^c Higher Polytechnic Institute JAE   (Cuba)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HARMONIC ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR SIEVES; PHASE TRANSITIONS; POTENTIAL ENERGY; THERMAL DIFFUSION IN SOLIDS;

ALUMINOPHOSPHATE MOLECULAR SIEVES; HARMONIC POTENTIALS;

ALUMINUM COMPOUNDS;

MOLECULAR SIEVE; PHASE CHANGE;

EID: 0034745704     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1387-1811(00)00313-9     Document Type: Article

References (26)

1. S.T. Wilson, B.M. Lok, C.A. Messina, T.R. Cannan, E.M. Flanigen, J. Am. Chem. Soc. 104 (1982) 1146.
2. J.J. Pluth, J.V. Smith, Acta Crystallogr. C 42 (1986) 283.
3. P.A. Wright, R.H. Jones, S. Nataraja, R.G. Bell, J. Chen, M.B. Hursthouse, J.M. Thomas, J. Chem. Soc. Chem. Commun. (1993) 633.
4. M.E. Davis, C. Saldarriga, C. Montes, J. Garces, C. Crowder, Nature (London) 331 (1988) 698.
5. M.P. Allen, D.J. Tildesley (Eds.), Computer Simulation in Chemical Physics, Kluwer, Dordrecht, 1994, pp. 23-45.
6. P. Demontis, G.B. Suffritti, Chem. Rev. 97 (1997) 2845.
7. S. Bandyopadhyay, S. Yashonath, J. Phys. Chem. 99 (1995) 4286.
8. D. Keffer, A.V. McCormick, H.T. Davis, Mol. Phys. 87 (1996) 367.
9. K. Hahn, J. Kärger, V. Kukla, Phys. Rev. Lett. 76 (1996) 2762.
10. D.S. Sholl, K.A. Fichthorn, J. Chem. Phys. 107 (1997) 4384.
11. D.S. Sholl, Chem. Phys. Lett. 305 (1999) 269.
12. P. Demontis, G.B. Suffritti, in: C.R.A. Catlow (Ed.), Modelling of Structure and Reactivity in Zeolites, Academic Press, London, 1992, pp. 79-132.
13. P. Demontis, G.B. Suffritti, E.S. Fois, S. Quartieri, J. Phys. Chem. 96 (1992) 1482.
14. P. Demontis, G.B. Suffritti, S. Quartieri, E.S. Fois, A. Gamba, Zeolites 7 (1987) 522.
15. P. Demontis, G.B. Suffritti, S. Quartieri, E.S. Fois, A. Gamba, J. Phys. Chem. 92 (1988) 867.
16. N.A. Van Nostrand, D.S. Santilli, S.I. Zones, ACS Symp. Ser., vol. 368, American Chemical Society, Washington, 1988, p. 236.
17. J.M. Bennett, J.P. Cohen, E.M. Flanigen, J.J. Pluth, J.V. Smith, ACS Symp. Ser., vol. 218, American Chemical Society, Washington, 1983, p. 109.
18. S. Qiu, Q. Piang, H. Kessler, J.L. Guth, Zeolites 8 (1989) 440.
19. A.J. Mora, A.N. Fitch, M. Cole, R. Goyal, R.H. Jones, H. Jobic, S.W. Carr, J. Mater. Chem. 6 (1996) 1831.
20. A.R. Ruiz-Savador, G. Sastre, D.W. Lewis, C.R.A. Catlow, J. Mater. Chem. 6 (1996) 1837.
21. J.W. Richardson Jr., J.V. Smith, S. Han, J. Chem. Soc. Faraday Trans. 86 (1990) 2341.
22. P. Demontis, G.B. Suffritti, S. Quartieri, E.S. Fois, A. Gamba, J. Chem. Soc. Faraday Trans. 87 (1991) 1657.
23. J.B. Nicholas, A.J. Hopfinger, F.R. Trow, L.E. Iton, J. Am. Chem. Soc. 113 (1991) 4792.
24. S. Kirkpatrick, C.D. Gelatt Jr., M.P. Vecchi, Science 220 (1983) 671.
25. V. Gupta, S.S. Nivarthi, A.V. McCormick, H.T. Davis, Chem. Phys. Lett. 247 (1995) 596.
26. A.J.P. de Man, W.P.J.H. Jacobs, J.P. Gilson, R.A. van Santen, Zeolites 12 (1992) 826.