Adsorption of n-Alkanes in Faujasite Zeolites: Molecular Simulation Study and Experimental Measurements

An application of a previously developed force field for the adsorption of hydrocarbons onto silicalite (Pascual et al. 2003) to linear alkane/sodium faujasite systems is reported. In order to extend this force field from siliceous to cationic zeolites, it is proposed that account be taken of the po...

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Bibliographic Details
Main Authors: Aurélie Wender, Alain Barreau, Catherine Lefebvre, Angela Di Lella, Anne Boutin, Philippe Ungerer, Alain H. Fuchs
Format: Article
Language:English
Published: SAGE Publications 2006-10-01
Series:Adsorption Science & Technology
Online Access:https://doi.org/10.1260/026361706781355028