DOI QR코드

DOI QR Code

Theoretical Studies on Aluminophosphate-5 (AlPO$_4$ - 5)

  • Choi, Kyung-Jae (Department of Chemistry, Korea Advanced Institute of Science and Technology) ;
  • Jhon, Mu-Shik (Department of Chemistry, Korea Advanced Institute of Science and Technology) ;
  • No, Kyeong-Tae (Department of Chemistry, Soong Sil University)
  • Published : 1987.06.20

Abstract

Parameters of intraframework potential function suitable for aluminophosphate-5($AIPO_4-5$) are obtained by the constraint method. Using these parameters, we calculated the stabilization energies and their second derivatives of framework atoms and these values are compared with those of zeolite A. It is found that the oxygen atoms in $AIPO_4-5$ framework are more stable than those of zeolite A and that the aluminum atom is also more stable than that of zeolite A. On the other hand, the phosphorus atom in $AIPO_4-5$ framework, in which the silicon atoms of aluminosilicate are replaced by the phosphorus atom, is less stable than the silicon atom of aluminosilicate framework of dehydrated zeolite A.

Keywords

References

  1. J. Am. Chem. Soc. v.104 S. T. Wilson;B. M. Lok;C. A. Messina;T. R. Cannan;E. M. Flanigen
  2. U. S. Patent 4310440 S. T. Wilson;B. M. Lok;E. M. Flanigen
  3. Zeolite Molecular Sieves D. W. Breck
  4. U. S. Patent 4061724
  5. Nature v.271 E. M. Flanigen;J. M. Bennett;R. W. Grose;J. P. Cohen;R. L. Patton;R. M. Kirchner;J. V. Smith
  6. Am. Chem. Soc. Symp. Ser. v.218 J. M. Bennett;J. P. Cohen;E. M. Flanigen;J. J. Pluth;J. V. Smith
  7. Am. Mineral. v.63 J. V. Smith
  8. J. Phys. Chem. v.91 K. T. No;J. S. Kim;Y. Y. Huh;W. K. Kim;M. S. Jhon
  9. J. Phys. Chem. v.69 J. E. Huheey
  10. Zeolites v.5 D. Muller;E. Jahn;B. Fahlke;G. Ladwig;U. Haubenreisser
  11. K. T. No;Y. Y. Huh;M. S. Jhon
  12. U. S. pat. 4440871 B. M. Lok;C. A. Messina;R. L. Patton;R. T. Gajek;T. R. Cannan;E. M. Flanigen
  13. J. Am. Chem. Soc. v.106 B. M. Lok;C. A. Messina;R. L. Patton;R. T. Gajek;T. R. Cannan;E. M. Flanigen
  14. J. Am. Chem. Soc. v.102 J. J. Pluth;J. V. Smith

Cited by

  1. Polarization Reversal in AlPO4-5 Crystals Containing Polar or Nonpolar Organic Molecules: A Scanning Pyroelectric Microscopy Study vol.102, pp.47, 1998, https://doi.org/10.1021/jp982816g
  2. Reversible Control ofthe Orientation of Iodine Moleculesinside the AlPO4-11 Crystals vol.116, pp.7, 1987, https://doi.org/10.1021/jp210451q
  3. The selective adsorption of tellurium in the aluminosilicate regions of AFI- and MOR-type microporous crystals vol.43, pp.37, 1987, https://doi.org/10.1039/c4dt01028k