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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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Principais autores: Sudeep Mudhulu, Joyeeta Nath, Bhanu Vardhan Reddy Kuncharam, Suresh Gupta
Format: Artigo
Sprog:Inglês
Udgivet: Elsevier 2026-01-01
Serier:Chemical Engineering Journal. Green and Sustainable
Fag:
High throughput computational screening
MOFs
Mixed matrix membranes (MMMs)
Gas separation
Molecular dynamics
Online adgang:http://www.sciencedirect.com/science/article/pii/S3051003126000017
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