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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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| Publicado no: | J Phys Chem C Nanomater Interfaces |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2018
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| Assuntos: | |
| Acesso em linha: | 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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