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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2023
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| 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 |