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Simulation of the electrical double layer of a macroion with different counterion charges

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Abstract

An electrical double layer of a spherical macroion with single-, double-, and triple-charged counterions in aqueous solution of 1: 1 background electrolyte at different concentrations are studied by the molecular dynamics method for models with discrete and continuous surface charge distribution. Radial profiles of ion partial densities and the electric potential distribution in the double layer are calculated. The degree of counterion binding with a macroion is determined. The effect of water permittivity on the structure of electrical double layer is studied.

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Authors and Affiliations

  1. Department of Chemistry, St. Petersburg State University, Universitetskii pr. 26, Staryi Petergof, St. Petersburg, 198504, Russia

    O. V. Semashko & E. N. Brodskaya

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  1. O. V. Semashko
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  2. E. N. Brodskaya
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Original Russian Text © O.V. Semashko, E.N. Brodskaya, 2006, published in Kolloidnyi Zhurnal, 2006, Vol. 68, No. 5, pp. 674–680.

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Semashko, O.V., Brodskaya, E.N. Simulation of the electrical double layer of a macroion with different counterion charges. Colloid J 68, 617–622 (2006). https://doi.org/10.1134/S1061933X06050140

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  • DOI: https://doi.org/10.1134/S1061933X06050140

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