The Water-Alkane Interface at Various NaCl Salt Concentrations: A Molecular Dynamics Study of the Readily Available Force Fields

In this study, classical molecular dynamic simulations have been used to examine the molecular properties of the water-alkane interface at various NaCl salt concentrations (up to 3.0 mol/kg). A variety of different force field combinations have been compared against experimental surface/interfacial...

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Detalles Bibliográficos
Autores principales: Underwood, Thomas R., Greenwell, H. Chris
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5762912/
https://www.ncbi.nlm.nih.gov/pubmed/29321556
http://dx.doi.org/10.1038/s41598-017-18633-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5762912/
https://www.ncbi.nlm.nih.gov/pubmed/29321556
http://dx.doi.org/10.1038/s41598-017-18633-y

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