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Advancing CH(4)/H(2) separation with covalent organic frameworks by combining molecular simulations and machine learning

A high-throughput computational screening approach combined with machine learning (ML) was introduced to unlock the potential of both synthesized and hypothetical COFs (hypoCOFs) for adsorption-based CH(4)/H(2) separation. We studied 597 synthesized COFs for adsorption of a CH(4)/H(2) mixture using...

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Detalles Bibliográficos
Autores principales: Aksu, Gokhan Onder, Keskin, Seda
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10335334/
https://www.ncbi.nlm.nih.gov/pubmed/37441278
http://dx.doi.org/10.1039/d3ta02433d