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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 6, Number 2
BKCSDE 6(2)
February 20, 1985 

 
Title
Normal Mode Calculations of Faujasite-Type Zeolite Frameworks
Author
Young Shik Kong, Mu Shik Jhon, Kyoung Tai No
Keywords
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 Mf (Al/Si + Al) values. The calculated characteristic frequencies of D6R mode (νD6R) and the rate of change of ν D6R with the mole fractions of aluminum, Mf (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
Page
57 - 60
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