Efficient Exploration of Adsorption Space for Separations in Metal–Organic Frameworks Combining the Use of Molecular Simulations, Machine Learning, and Ideal Adsorbed Solution Theory

[Image: see text] Adsorption-based separations using metal–organic frameworks (MOFs) are promising candidates for replacing common energy-intensive separation processes. The so-called adsorption space formed by the combination of billions of possible molecules and thousands of reported MOFs is vast....

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Detalles Bibliográficos
Autores principales: Yu, Xiaohan, Tang, Dai, Chng, Jia Yuan, Sholl, David S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10544990/
https://www.ncbi.nlm.nih.gov/pubmed/37791097
http://dx.doi.org/10.1021/acs.jpcc.3c04533

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10544990/
https://www.ncbi.nlm.nih.gov/pubmed/37791097
http://dx.doi.org/10.1021/acs.jpcc.3c04533

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