A Transferable Force Field for Predicting Adsorption and Diffusion of Small Molecules in Alkali Metal Exchanged Zeolites with Coupled Cluster Accuracy-Reference-Cited by-同舟云学术

A Transferable Force Field for Predicting Adsorption and Diffusion of Small Molecules in Alkali Metal Exchanged Zeolites with Coupled Cluster Accuracy

Published:2021-11-23 Issue:48 Volume:125 Page:26832-26846
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Boulfelfel Salah Eddine¹,Findley John M.¹,Fang Hanjun¹,Daou Alan S. S.¹,Ravikovitch Peter I.²,Sholl David S.¹^ORCID

Affiliation:

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

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

Funder

ExxonMobil Research and Engineering Company

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/acs.jpcc.1c07790

Reference122 articles.

1. Cation Gating and Relocation during the Highly Selective “Trapdoor” Adsorption of CO2 on Univalent Cation Forms of Zeolite Rho

2. New Insights on CO2−Methane Separation Using LTA Zeolites with Different Si/Al Ratios and a First Comparison with MOFs

3. Biogas upgrading through kinetic separation of carbon dioxide and methane over Rb- and Cs-ZK-5 zeolites

4. Discriminative Separation of Gases by a “Molecular Trapdoor” Mechanism in Chabazite Zeolites

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