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Molecular Dynamics Simulation of Basal Spacing, Energetics, and Structure Evolution of a Kaolinite–Formamide Intercalation Complex and Their Interfacial Interaction

Molecular dynamics simulations were performed on kaolinite–formamide complex models with various numbers of formamide molecules loaded in the kaolinite interlayer to explore the basal spacing, energetics, and structure evolution of the kaolinite–formamide complex during the intercalation process. Ad...

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Détails bibliographiques
Publié dans:J Phys Chem C Nanomater Interfaces
Auteurs principaux: Zhang, Shuai, Liu, Qinfu, Gao, Feng, Teppen, Brian J.
Format: Artigo
Langue:Inglês
Publié: 2018
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC5896007/
https://ncbi.nlm.nih.gov/pubmed/29657662
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcc.7b10234
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