Insight into Cellulose Dissolution with the Tetrabutylphosphonium Chloride–Water Mixture using Molecular Dynamics Simulations

All-atom molecular dynamics simulations are utilized to determine the properties and mechanisms of cellulose dissolution using the ionic liquid tetrabutylphosphonium chloride (TBPCl)–water mixture, from 63.1 to 100 mol % water. The hydrogen bonding between small and large cellulose bundles with 18 a...

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Detalles Bibliográficos
Autores principales: Crawford, Brad, Ismail, Ahmed E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7183325/
https://www.ncbi.nlm.nih.gov/pubmed/32182932
http://dx.doi.org/10.3390/polym12030627

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7183325/
https://www.ncbi.nlm.nih.gov/pubmed/32182932
http://dx.doi.org/10.3390/polym12030627

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