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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...
Autores principales: | Krishna, Rajamani, van Baten, Jasper M. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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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 |
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