Effects of ion concentration and solvent composition on the properties of water-methanol solutions of NaCl. NPT molecular dynamics computer simulation results

Effects of ion concentration and solvent composition on the properties of water-methanol solutions of NaCl. NPT molecular dynamics computer simulation results

Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and other properties of a model solution consisting of NaCl salt dissolved in water-methanol mixture. The SPC/E water model and the united atom model for methanol are combined with the force field for io...

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Bibliographic Details
Main Authors:	M. Cruz Sanchez, J. Gujt, S. Sokolowski, O. Pizio
Format:	Article
Language:	English
Published:	Institute for Condensed Matter Physics 2018-06-01
Series:	Condensed Matter Physics
Subjects:	water-methanol mixtures electrolyte solutions sodium chloride microscopic structure molecular dynamics simulations
Online Access:	https://doi.org/10.5488/CMP.21.23601

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