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Understanding CO(2) capture kinetics and energetics by ionic liquids with molecular dynamics simulation

Room temperature ionic liquids (ILs) are recognized to be potential media for CO(2) capture, but the interaction nature is less documented which hinders the future development of ILs with high CO(2) solvation capability. Here, through all atom molecular dynamics (MD) simulations, the solvation proce...

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Detalles Bibliográficos
Autores principales: Yang, Fan, Wang, Xianjuan, Liu, Yang, Yang, Yanmei, Zhao, Mingwen, Liu, Xiangdong, Li, Weifeng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9051916/
https://www.ncbi.nlm.nih.gov/pubmed/35498469
http://dx.doi.org/10.1039/d0ra02221g