Abstract

Abstract Aqueous asymmetric electrolytes consisting of macroions with 60 elementary charges and either monovalent or divalent counterions have been studied within the primitive model by means of molecular dynamics simulation using the Ewald summation technique. Both the macroions and the counterions entered the model explicitly, and they were represented by charged soft spheres. The radial distribution functions and partial structure factors for these asymmetric electrolytes have been evaluated and effects of counterion valency on the structure are discussed. The feasibility of simulating asymmetric electrolytes with charge asymmetry 60:1 makes it possible to assess the usefulness of simpler model systems and more approximative liquid state theories for modelling charged surfactant micelles in aqueous solutions.

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