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Computational Screening of Metal–Organic Framework Membranes for the Separation of 15 Gas Mixtures

The Monte Carlo and molecular dynamics simulations are employed to screen the separation performance of 6013 computation-ready, experimental metal–organic framework membranes (CoRE-MOFMs) for 15 binary gas mixtures. After the univariate analysis, principal component analysis is used to reduce 44 per...

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Detalles Bibliográficos
Autores principales:	Yang, Wenyuan, Liang, Hong, Peng, Feng, Liu, Zili, Liu, Jie, Qiao, Zhiwei
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6474094/ https://www.ncbi.nlm.nih.gov/pubmed/30897779 http://dx.doi.org/10.3390/nano9030467

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