Adsorption Sites and Diffusion Rates of Benzene in HY Zeolite by Force Field Based Simulations-Reference-Cited by-同舟云学术

Adsorption Sites and Diffusion Rates of Benzene in HY Zeolite by Force Field Based Simulations

Published:2000-02-23 Issue:10 Volume:104 Page:2360-2370
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Jousse Fabien¹,Auerbach Scott M.¹,Vercauteren Daniel P.¹

Affiliation:

1. Computational Chemical Physics Group, Institute for Studies in Interface Science, Facultés Universitaires Notre-Dame de la Paix, Rue de Bruxelles 61, B-5000 Namur, Belgium, and Department of Chemistry and Department of Chemical Engineering, University of Massachusetts, Amherst, Massachusetts 01002

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp9935642

Reference89 articles.

1. Localization and mobility of benzene in sodium-Y zeolite by molecular dynamics calculations

2. Theoretical investigations on the interaction of benzene with faujasite

3. Transport Theory for Cationic Zeolites: Diffusion of Benzene in Na-Y

4. Cage-to-Cage Jumps of Xenon in Zeolite NaY: Transmission Coefficients from Molecular Dynamics Simulations

5. Behavior of Benzene in Na-X and Na-Y Zeolites: Comparative Study by 2H NMR and Molecular Mechanics

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