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Combined GCMC, MD, and DFT Approach for Unlocking the Performances of COFs for Methane Purification

[Image: see text] Covalent organic frameworks (COFs) are promising materials for gas storage and separation; however, the potential of COFs for separation of CH(4) from industrially relevant gases such as H(2), N(2), and C(2)H(6) is yet to be investigated. In this work, we followed a multiscale comp...

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Detalles Bibliográficos
Autores principales:	Altundal, Omer Faruk, Haslak, Zeynep Pinar, Keskin, Seda
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8431337/ https://www.ncbi.nlm.nih.gov/pubmed/34526735 http://dx.doi.org/10.1021/acs.iecr.1c01742

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