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Molecular Dynamics Simulation of Distribution and Diffusion Behaviour of Oil–Water Interfaces

The distribution and diffusion behaviors of microscopic particles at fluorobenzene–water and pentanol–water interfaces are investigated using molecular dynamics simulation. The influences of Na(+)/Cl(−) ions and the steric effects of organic molecules are examined. The concentration distributions of...

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Detalles Bibliográficos
Autores principales: Zhang, Chengbin, Dai, Hanhui, Lu, Pengfei, Wu, Liangyu, Zhou, Bo, Yu, Cheng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6572532/
https://www.ncbi.nlm.nih.gov/pubmed/31108938
http://dx.doi.org/10.3390/molecules24101905