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Mechanism Responsible for Intercalation of Dimethyl Sulfoxide in Kaolinite: Molecular Dynamics Simulations

Intercalation is the promising strategy to expand the interlayer region of kaolinite for their further applications. Herein, the adaptive biasing force (ABF) accelerated molecular dynamics simulations were performed to calculate the free energies involved in the kaolinite intercalation by dimethyl s...

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Bibliografiske detaljer
Udgivet i:Appl Clay Sci
Main Authors: Zhang, Shuai, Liu, Qinfu, Cheng, Hongfei, Gao, Feng, Liu, Cun, Teppen, Brian J.
Format: Artigo
Sprog:Inglês
Udgivet: 2017
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5846688/
https://ncbi.nlm.nih.gov/pubmed/29545655
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.clay.2017.10.022
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