Paper Title:
Computational Study on Thermodynamic and Structural Properties of ZSM-5 Doped by Al/Fe and Al/P
  Abstract

Configurational averaging technique is adopted via lattice statics approach to obtain the thermodynamic and structural properties of ZSM-5 containing various impurity content. Different Si:Al:Fe and Si:Al:P ratios within o-ZSM-5 and m-ZSM-5 frameworks have been studied. The results show that the third type of atom (Fe or P) incorporated to aluminosilicate ZSM-5 plays an important role on the structural stability of zeolite. It is indicated that the lattice enthalpy of aluminosilicate ZSM-5 is highered when doping with Fe, but it is lowered when doping with P. It is found that for o-ZSM-5 doped by Al/Fe and Al/P, the values of bond lengths, as well as and bond angles, are close to those for siliceous o-ZSM-5. However, for m-ZSM-5 doped by Al/Fe and Al/P, the values of are slightly longer whereas and are smaller compared with those for siliceous m-ZSM-5.

  Info
Periodical
Advanced Materials Research (Volumes 55-57)
Main Theme
Edited by
Tawee Tunkasiri
Pages
781-784
DOI
10.4028/www.scientific.net/AMR.55-57.781
Citation
S.B. Pongsai, S. Hannongbua, "Computational Study on Thermodynamic and Structural Properties of ZSM-5 Doped by Al/Fe and Al/P ", Advanced Materials Research, Vols. 55-57, pp. 781-784, 2008
Online since
August 2008
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