Abstract
The structural-dynamic features of ionic liquid-nonpolar substance systems are studied by means of molecular dynamics using Frenkel’s fundamental theory of a liquid and the phonon theory of the thermodynamics of a liquid, in combination with the DL_POLY_4.05 software package. Argon, methane, and benzene molecules serve as the dissolved substances. Model concepts are proposed and analyzed to describe the diffusion of molecules of a dissolved substance in an ionic liquid. It is shown that an increase in the mass of the molecules of a dissolved nonpolar substance correlates with their mobility in a hydrophilic ionic liquid (IL). This determines the diffusion of the components of dmim+/Cl− IL solutions and is responsible for the anomalous behavior of the solubility of nonpolar substances in them.
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Original Russian Text © N.A. Atamas’, 2018, published in Zhurnal Fizicheskoi Khimii, 2018, Vol. 92, No. 1, pp. 45–50.
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Atamas’, N.A. Mechanisms of the Diffusion of Nonpolar Substances in a Hydrophilic Ionic Liquid. Russ. J. Phys. Chem. 92, 37–41 (2018). https://doi.org/10.1134/S0036024417120020
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DOI: https://doi.org/10.1134/S0036024417120020