High-throughput computational screening of metal organic frameworks (MOFs) for CO2 selective separations: trends, challenges, and future perspectives

Efficient separation of CO2 from industrial gas mixtures such as CO2/N2, CO2/CH4, CO2/H2, and CH4/H2 is central to carbon capture, clean fuel production, and hydrogen purification. While metal organic frameworks (MOFs) offer an unparalleled design space for addressing these separations, the vast che...

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Autors principals:	Sudeep Mudhulu, Joyeeta Nath, Bhanu Vardhan Reddy Kuncharam, Suresh Gupta
Format:	Artigo
Idioma:	Inglês
Publicat:	Elsevier 2026-01-01
Col·lecció:	Chemical Engineering Journal. Green and Sustainable
Matèries:	High throughput computational screening MOFs Mixed matrix membranes (MMMs) Gas separation Molecular dynamics
Accés en línia:	http://www.sciencedirect.com/science/article/pii/S3051003126000017
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