Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
권호 표지
DOI QR코드

DOI QR Code

Normal Mode Calculations of Faujasite-Type Zeolite Frameworks

  • Kong, Young-Shik (Department of Chemicstry, Korea Advanced Institute of Science and Technology) ;
  • Jhon, Mu-Shik (Department of Chemicstry, Korea Advanced Institute of Science and Technology) ;
  • No, Kyoung-Tai (Department of Chemistry, Soong Jun University)
  • Published : 1985.04.20
Download PDF
⟨ Previous Next ⟩

Abstract

Normal mode calculations about the extended double six ring (D6R) subunit cluster model of Faujasite-type zeolites have been done by using the valence force field with reasonably adjusted force constants. We have studied for four X, Y zeolites species varying in M$_{f}$(Al/Si + Al) values. The calculated characteristic frequencies of D6R mode (${\nu}_{D_{6}R}$) and the rate of change of ${\nu}_{D_{6}R}$ with the mole fractions of aluminum, M$_{f}$ (Al/Si + Al) values agree well with Flanigen's experimental data; the experimental slope is -79 cm$^{-1}$, while the calculated slope is -82 cm$^{-1}$. Those are the improved results as compared to Blackwell's theoretical study; his predicted slope is -94 cm$^{-1}$.

Keywords

References

  1. J. Amer. Chem. Soc. v.82 L. Broussard;D. P. Shoemaker
  2. Amer. Mineralogist v.45 R. G. Milkey
  3. Infrared Spectra of Adsorbed Species A. V. Kiselev;V. I. Lygin;L. H. Little(ed.)
  4. Amer. Mineralogist v.53 A. C. Wright;J. P. Rupert;W. T. Granquist
  5. Molecular Sieve Zeolites-Advances in Chemistry Series, 101 E. M. Flanigen;H. Khatami;H. A. Szymanski
  6. Indian Jour. Pure and Appl. Phys. v.19 M. S. Joshi;B. T. Bhoskar
  7. J. Phys. Chem. v.83 no.25 C. S. Blackwell
  8. J. Phys. Chem. v.83 no.25 C. S. Blackwell
  9. Biopolymers v.21 H. Kim
  10. J. Chem. Phys. v.55 W. D. Gwinn
  11. J. Chem. Phys. v.54 J. Tyson;H. H. Claassen;H. Kim
  12. J. Phys. Chem. v.74 D. H. Olsen
  13. Molecular Sieves D. W. Breck;E. M. Flanigen

Cited by

  1. Structure-Sensitive Vibrations in Zeolites as Studied by Raman Scattering vol.111, pp.None, 1985, https://doi.org/10.1557/proc-111-141