Email this article Structural-dynamic properties of infinitely dilute ionic liquid–nonpolar compound systems
- Authors: Atamas’ N.A.1
-
Affiliations:
- Taras Shevchenko National University of Kyiv
- Issue: Vol 62, No 4 (2017)
- Pages: 462-467
- Section: Theoretical Inorganic Chemistry
- URL: https://journals.rcsi.science/0036-0236/article/view/167536
- DOI: https://doi.org/10.1134/S0036023617040039
- ID: 167536
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Abstract
The effect of nonpolar solvents (argon, methane, and benzene) on the structural-dynamic properties of an ionic liquid (IL), dimethylimidazolium chloride, is studied at 400 K by the method of molecular dynamics using DL_POLY _4.05 software package. The energy and structural-dynamic parameters of infinitely dilute liquid ternary systems are calculated and analyzed. The pattern of motion of the molecules of dilute compound in the IL is described. It is demonstrated that increased size of a solvent molecule enhances the effect on the ionic liquid structure, which also influences the solubility of nonpolar compounds and IL.
About the authors
N. A. Atamas’
Taras Shevchenko National University of Kyiv
Author for correspondence.
Email: atamasphys@mail.univ.kiev.ua
Ukraine, pr. Akademika Glushkova 26, Kyiv, 251034
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