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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Veröffentlicht in:Appl Clay Sci
Hauptverfasser: Zhang, Shuai, Liu, Qinfu, Cheng, Hongfei, Gao, Feng, Liu, Cun, Teppen, Brian J.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2017
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Article
Online Zugang: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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