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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....
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| 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 |