Mechanisms of the Diffusion of Nonpolar Substances in a Hydrophilic Ionic Liquid

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 ben...

Full description

Saved in:
Bibliographic Details
Published in:Russian Journal of Physical Chemistry A 2018, Vol.92 (1), p.37-41
Main Author: Atamas’, N. A.
Format: Article
Language:English
Subjects:
Benzene
Chemical Thermodynamics and Thermochemistry
Chemistry
Chemistry and Materials Science
Diffusion
Ionic liquids
Ions
Molecular dynamics
Physical Chemistry
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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.
ISSN:0036-0244
1531-863X
DOI:10.1134/S0036024417120020