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Integrating Molecular Simulations with Machine Learning Guides in the Design and Synthesis of [BMIM][BF(4)]/MOF Composites for CO(2)/N(2) Separation

[Image: see text] Considering the existence of a large number and variety of metal–organic frameworks (MOFs) and ionic liquids (ILs), assessing the gas separation potential of all possible IL/MOF composites by purely experimental methods is not practical. In this work, we combined molecular simulati...

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Detalles Bibliográficos
Autores principales: Daglar, Hilal, Gulbalkan, Hasan Can, Habib, Nitasha, Durak, Ozce, Uzun, Alper, Keskin, Seda
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10080536/
https://www.ncbi.nlm.nih.gov/pubmed/36972354
http://dx.doi.org/10.1021/acsami.3c02130