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Highlighting the Anti-Synergy between Adsorption and Diffusion in Cation-Exchanged Faujasite Zeolites

[Image: see text] Using configurational-bias Monte Carlo simulations of adsorption equilibrium and molecular dynamics simulations of guest diffusivities of CO(2), CH(4), N(2), and O(2) in FAU zeolites with varying amounts of extra-framework cations (Na(+) or Li(+)), we demonstrate that adsorption an...

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Detalles Bibliográficos
Autores principales: Krishna, Rajamani, van Baten, Jasper M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9026072/
https://www.ncbi.nlm.nih.gov/pubmed/35474830
http://dx.doi.org/10.1021/acsomega.2c00427