Modelling sorption in zeoite NaA with molecular density functional theory

Martha C. Mitchell, Paul R. Van Tassel, Alon V. McCormick, H. Ted Davis

Research output: Contribution to journalArticlepeer-review

Abstract

We have used molecular theory and simulation techniques to help elucidate the fundamental physics of adsorption of xenon in zeolite NaA. We have used the simulations to guide development of an approximate density functional theory of this system.

Original languageEnglish (US)
Pages (from-to)227-228
Number of pages2
JournalStudies in Surface Science and Catalysis
Volume98
Issue numberC
DOIs
StatePublished - Jan 1 1995

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