Coarse-grained models of biological and synthetic materials such as cell membranes, colloids and oil-water emulsions often involve ions in medium characterized by different dielectric permittivities, separated by sharp interfaces. Knowing the distribution of ions near interfaces is crucial in understanding  the physical properties of these systems. The knowledge of ionic structure of these systems is also exploited in several industrial applications such as double-layer supercapacitors for energy storage and electro-assisted solvent extraction of metal ions from wastewater. The presence of multiple dielectric interfaces often complicates computing the desired ionic distributions via simulations or theory. Here, we compute the ionic distributions in a system of electrolyte confined by two planar dielectric interfaces using Car-Parrinello molecular dynamics simulations and liquid state theory. We compute the density profiles for various electrolyte concentrations, stoichiometric ratios and dielectric contrasts. We also provide the explanations for the trends in these profiles and discuss their effects on the behavior of the confined charged fluid.

Ion distributions in electrolyte confined by multiple dielectric interfaces

247th National Meeting (2014)

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