Structural-dynamic properties of infinitely dilute ionic liquid–nonpolar compound systems

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 infi...

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Bibliographic Details
Published in:Russian journal of inorganic chemistry 2017-04, Vol.62 (4), p.462-467
Main Author: Atamas’, N. A.
Format: Article
Language:English
Subjects:
Argon
Benzene
Chemistry
Chemistry and Materials Science
Dilution
Dynamic characteristics
Dynamic structural analysis
Inorganic Chemistry
Ionic liquids
Molecular dynamics
Molecular structure
Pattern analysis
Solvents
Ternary systems
Theoretical Inorganic Chemistry
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Summary: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.
ISSN:0036-0236
1531-8613
DOI:10.1134/S0036023617040039