Abstract
Monte Carlo simulations for the restricted primitive model of 1-1 aqueous electrolyte solutions were performed on a minicomputer. The calculations covered the concentration range from 0·1 to 3 mol/dm3 and the ionic diameter varied from 2·0× ×10−10 to 4·75×10−10 m. On the basis of the Monte Carlo results a new analytical radial distribution function and excess internal energy parametrization were proposed for the restricted primitive model.
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Sýs, J., Labík, S. & Malijevský, A. Parametrization of the radial distribution function and thermodynamic properties of the restricted primitive model of electrolyte solutions. Czech J Phys 33, 763–771 (1983). https://doi.org/10.1007/BF01589749
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DOI: https://doi.org/10.1007/BF01589749