Effect of interionic interactions on the structure and dynamics of ionic solvation shells in aqueous electrolyte

Published 08 December 2016

We have performed molecular dynamics (MD) simulations to explore the structure and dynamics of the ionic solvation shells of alkali ions and halide ions in aqueous solution

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Key Messages

We have performed molecular dynamics (MD) simulations to explore the structure and dynamics of the ionic solvation shells of alkali ions and halide ions in aqueous solution. Several structural and dynamical properties such as radial distribution functions (RDFs), diffusivity, velocity autocorrelation function (VACF), etc. are computed to obtain a microscopic picture of solvation.

More About Publication
Date	08 December 2016
Contributors	Mridula Dixit Bharadwaj Parveen Kumar
Publisher	RSC Advances
Tags	Effect of interionic interactions on the structure and dynamics

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