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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2018
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| 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 |