Efficient and Accurate Methods for Characterizing Effects of Framework Flexibility on Molecular Diffusion in Zeolites: CH4 Diffusion in Eight Member Ring Zeolites-Reference-Cited by-同舟云学术

Efficient and Accurate Methods for Characterizing Effects of Framework Flexibility on Molecular Diffusion in Zeolites: CH4 Diffusion in Eight Member Ring Zeolites

Published:2013-06-24 Issue:26 Volume:117 Page:13462-13473
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Awati Rohan V.¹,Ravikovitch Peter I.²,Sholl David S.¹

Affiliation:

1. School of Chemical & Biomolecular Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0100, United States

2. ExxonMobil Research and Engineering, Corporate Strategic Research, 1545 Route 22 East, Annandale, New Jersey 08801, United States

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/jp402959t

Reference52 articles.

1. Transition-state studies of xenon and sulfur hexafluoride diffusion in silicalite

2. Dynamics of Long n-Alkanes in Silicalite: A Hierarchical Simulation Approach

3. Bluemoon simulations of benzene in silicalite-1 Prediction of free energies and diffusion coefficients

4. Molecular Simulation of Loading Dependent Slow Diffusion in Confined Systems

5. A molecular dynamics investigation of the diffusion characteristics of cavity-type zeolites with 8-ring windows

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