Prediction of CO2 Adsorption Properties in Zeolites Using Force Fields Derived from Periodic Dispersion-Corrected DFT Calculations-Reference-Cited by-同舟云学术

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Prediction of CO2 Adsorption Properties in Zeolites Using Force Fields Derived from Periodic Dispersion-Corrected DFT Calculations

Published:2012-05-02 Issue:19 Volume:116 Page:10692-10701
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Fang Hanjun¹,Kamakoti Preeti²,Zang Ji¹,Cundy Stephen²,Paur Charanjit²,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/jp302433b

Reference83 articles.

1. Molecular Simulations of Adsorption Isotherms for Linear and Branched Alkanes and Their Mixtures in Silicalite

2. Adsorption of Guest Molecules in Zeolitic Materials: Computational Aspects

3. Transport Diffusivities of CH4, CF4, He, Ne, Ar, Xe, and SF6 in Silicalite from Atomistic Simulations

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