Predicting adsorption in one-dimensional zeolite pores with the exact theory of one-dimensional hard rods

Martha C. Mitchell, Alon V. McCormick, H. Ted Davis

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Abstract

The exact statistical mechanical theory of a one-dimensional hard-rod fluid in an arbitrary external field is applied to the adsorption of simple molecules into nearly one-dimensional zeolitic pores, using a zeolite-sorbent interaction potential based on the system of xenon in mordenite. The effect is explored of changing the zeolite-sorbent interaction on adsorption. By optimizing one parameter in the model, the results of this theory compare well with experimental isotherms of xenon in mordenite. 1994 Taylor & Francis Ltd.

Original languageEnglish (US)
Pages (from-to)429-437
Number of pages9
JournalMolecular Physics
Volume83
Issue number3
DOIs
StatePublished - Oct 20 1994

Bibliographical note

Funding Information:
One of us (M.C.M.) is grateful for a National Science Foundation Graduate Research Fellowship. We also thank the Minnesota Supercomputer Institute, NSF(CTS-9058387), 3M, and the NSF Center for Interfacial Engineering for financial support of this research. The authors thank Paul Van Tassel for his calculation of the minimum energy profile for xenon in mordenite.

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