Combining Computational Screening and Machine Learning to Predict Metal–Organic Framework Adsorbents and Membranes for Removing CH(4) or H(2) from Air

Separating and capturing small amounts of CH(4) or H(2) from a mixture of gases, such as coal mine spent air, at a large scale remains a great challenge. We used large-scale computational screening and machine learning (ML) to simulate and explore the adsorption, diffusion, and permeation properties...

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Detalles Bibliográficos
Autores principales: Li, Huilin, Wang, Cuimiao, Zeng, Yue, Li, Dong, Yan, Yaling, Zhu, Xin, Qiao, Zhiwei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9503901/
https://www.ncbi.nlm.nih.gov/pubmed/36135849
http://dx.doi.org/10.3390/membranes12090830

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9503901/
https://www.ncbi.nlm.nih.gov/pubmed/36135849
http://dx.doi.org/10.3390/membranes12090830

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