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Guidelines for Mastering the Properties of Molecular Sieves pp 263–272Cite as

Long Range Versus Short Range Interactions in Zeolites

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Part of the book series: NATO ASI Series ((NSSB,volume 221))

Abstract

Models based on short range and long range (mainly electrostatic) interaction effects in describing the properties of zeolites are critically examined. Starting point is the Hamiltonian operator. Depending on the property under investigation, the (long range) external potential terms will have to be included in the model. Geometries can be predicted adequately by accounting for short range (repulsive and attractive) interactions only. Energy calculations and molecular interactions are much more sensitive to including the external potential in the calculations because of the predominant influence of the Madelung potential on the charge distribution for inorganic systems. For interactions of molecules with the surface, the absolute magnitude is of no importance, but the potential gradient will determine the properties. The cation distribution is adequately described using short-range interactions only, and is seemingly independent of the A1 distribution pattern in the framework. The same could apply to the protons, in which case we might have to revise the current concepts concerning Broensted acidity in zeolites.

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References

  1. Hohenberg, P. and Kohn, W. Phys. Rev. Sec. B 136: 864 (1964).

    Article  Google Scholar 

  2. Parr, R. G. in Electron Distributions and The Chemical Bond, Coppens, P. and Hall, M. B. Eds., New York: Plenum Publ. Corp., (1982) p. 95.

    Chapter  Google Scholar 

  3. Parr, R. G. Ann. Rev. Phys. Chem. 34: 631 (1983).

    Article  CAS  Google Scholar 

  4. Catlow, C. R. A. and Cormack, A. N. Int. Reviews Phys. Chem. 6: 227 (1987).

    Article  CAS  Google Scholar 

  5. Mortier, W. J., Ghosh, S. K. and Shankar, S. J. Am. Chem. Soc. 108: 4315 (1986).

    Article  CAS  Google Scholar 

  6. Van Genechten, K., Mortier, W. J. and Geerlings, P. J. Chem. Phys. 86: 5063 (1987).

    Google Scholar 

  7. Ewald, P. P. Ann. Phys. 64: 253 (1923).

    Google Scholar 

  8. Bertaut, F. J. Phys. Radium 13: 499 (1952).

    Article  CAS  Google Scholar 

  9. Van Genechten, K. Ph. D. Thesis #160, K. U. Leuven, Fac. Agronomy, (1987).

    Google Scholar 

  10. Van Genechten, K. A., and Mortier, W. J. Zeolites 8: 273 (1988).

    Article  Google Scholar 

  11. Uytterhoeven, L. Ph. D. Thesis #000, K. U. Leuven, Fac. Agronomy, in preparation.

    Google Scholar 

  12. Kollmann, P. A., and Allen, L. C. J. Chem. Phys. 51: 3286 (1969).

    Article  Google Scholar 

  13. van Santen, R. A., van Beest, B. W. H. and de Man, A. J. M. this conference.

    Google Scholar 

  14. Mortier, W. J. Structure and Bonding 66: 125 (1987).

    Article  CAS  Google Scholar 

  15. Mirodatos, C. and Barthomeuf, D. J. Catal. 114: 212 (1988).

    Article  Google Scholar 

  16. Jackson, R. A. and Catlow, C. R. A. Mol. Simulation 1: 207 (1988).

    Article  Google Scholar 

  17. Vetrivel, R., Catlow, C. R. A., and Colbourn, E. A. Proc. R. Soc. Lond. A 417: 81 (1988).

    Article  CAS  Google Scholar 

  18. Seiti, K. Doct. Thesis, Univ. PARIS VI, Chimie, Paris (1988).

    Google Scholar 

  19. Guest. M. F. and Kendrick, J. GAMESS user manual, University of Manchester Computer Centre, Manchester (1986).

    Google Scholar 

  20. Vinek, H., Noller, H., Ebel, M. and Schwartz, K. J. Chem. Soc. Faraday Transactions I 73: 734 (1977).

    Article  Google Scholar 

  21. Gutmann, V. The Donor-Acceptor Approach to Molecular Interactions New York: Plenum Press (1978).

    Chapter  Google Scholar 

  22. Linert, W., Gutmann, V., and Perkins, P. G. Inorg. Chim. Acta 69: 61 (1983).

    Article  CAS  Google Scholar 

  23. Wang, Y., Nordlander, P. and Tolk, N. H. J. Chem. Phys. 89: 4163 (1988).

    Article  CAS  Google Scholar 

  24. Uytterhoeven, L. Proceedings of the 8th Int. Zeolite Conference, Amsterdam (1989), in press.

    Google Scholar 

  25. Mulliken, R. S. J. Chem. Phys. 23: 1833 (1955).

    Article  CAS  Google Scholar 

  26. Van Dun, J. J. and Mortier, W. J. J. Phys. Chem. 92: 6740 (1988).

    Article  Google Scholar 

  27. Van Dun, J. J., Dhaeze, K. and Mortier, W. J. J. Phys. Chem. 92: 6747 (1988).

    Article  Google Scholar 

  28. Van Dun, J. J., Dhaeze, K., Mortier, W. J. and Vaughan, D. E. W. J. Phys. Chem. Solids 50: 469 (1989).

    Article  Google Scholar 

  29. De Tavernier, personal communication.

    Google Scholar 

  30. Derouane, E. G., Fripiat, J. G. and André, J. -M. personal communication.

    Google Scholar 

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Author information

Authors and Affiliations

  1. Basic Chemicals Technology, EXXON Chemical Holland, P.O. Box 7335, 3000 HH, Rotterdam, The Netherlands

    Wilfried J. Mortier & R. Vetrivel

Authors
  1. Wilfried J. Mortier
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  2. R. Vetrivel
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Editor information

Editors and Affiliations

  1. Université Paris VI, Paris, France

    Denise Barthomeuf

  2. Université Notre Dame de la Paix, Namur, Belgium

    Eric G. Derouane

  3. BASF, Ludwigshafen, Federal Republic of Germany

    Wolfgang Hölderich

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© 1990 Plenum Press, New York

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Mortier, W.J., Vetrivel, R. (1990). Long Range Versus Short Range Interactions in Zeolites. In: Barthomeuf, D., Derouane, E.G., Hölderich, W. (eds) Guidelines for Mastering the Properties of Molecular Sieves. NATO ASI Series, vol 221. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-5787-2_16

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  • DOI: https://doi.org/10.1007/978-1-4684-5787-2_16

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4684-5789-6

  • Online ISBN: 978-1-4684-5787-2

  • eBook Packages: Springer Book Archive

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