A theoretical study of the stability of barium-exchanged Na-A type zeolites

Mee Kyung Song, Hakze Chon, Mu Shik Jhon, Kyoung Tai No

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

From the geometry shown by X-ray crystallographic studies, potential energy functions suitable for energetic calculations in Ba-exchanged zeolite A, (Ba x 2Na12-x-A, 1 ≤x ≤ 12), have been obtained by using the method of constraints. The influence of the water content and degree of Ba exchange on the stability of the framework has been investigated energetically using these potential functions. The stability of the framework decreases as the Ba content increases and as the water content decreases.

Original languageEnglish
Pages (from-to)73-86
Number of pages14
JournalJournal of Molecular Catalysis
Volume47
Issue number1
DOIs
Publication statusPublished - 1988 Aug 15

All Science Journal Classification (ASJC) codes

  • Engineering(all)

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