Molecular dynamics simulation of carbon dioxide diffusion in NaA zeolite: assessment of surface effects and evaluation of bulk-like properties
Author:
Affiliation:
1. Institute of Chemistry
2. St. Petersburg State University
3. 198504 St. Petersburg
4. Russia
5. Institute of General and Inorganic Chemistry
Abstract
Simulation study of surface effects and diffusion in CO2-loaded cationic LTA zeolite produced CO2 and Na+ diffusion activation energies.
Funder
Russian Foundation for Basic Research
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP04189K
Reference36 articles.
1. Gas separation by adsorption: technological drivers and opportunities for improvement
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5. Advances in theory and their application within the field of zeolite chemistry
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