Monte Carlo Calculations: Thermodynamic Functions in Zeolites II. Adsorption of Benzene on Silicalite

The adsorption of benzene on silicalite has been investigated through the use of the Monte Carlo method. Calculations have been performed using an empirical atom-atom potential. The resulting concept of preferred adsorption sites has been applied to a combinatorial model of the pore-filling process....

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Bibliographic Details
Main Authors: B. Grauert, K. Fiedler
Format: Article
Language:English
Published: SAGE Publications 1988-09-01
Series:Adsorption Science & Technology
Online Access:https://doi.org/10.1177/026361748800500302