Structural-dynamic properties of infinitely dilute ionic liquid–nonpolar compound systems
| Autor: | N. A. Atamas |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
Materials Science (miscellaneous)
Computer Science::Neural and Evolutionary Computation Inorganic chemistry chemistry.chemical_element 02 engineering and technology 010402 general chemistry 01 natural sciences Chloride Inorganic Chemistry chemistry.chemical_compound Molecular dynamics Physics::Atomic and Molecular Clusters medicine Molecule Physics::Chemical Physics Physical and Theoretical Chemistry Solubility Benzene Quantitative Biology::Biomolecules Argon 021001 nanoscience & nanotechnology 0104 chemical sciences Condensed Matter::Soft Condensed Matter chemistry Ionic liquid Physical chemistry 0210 nano-technology Ternary operation medicine.drug |
| Zdroj: | Russian Journal of Inorganic Chemistry. 62:462-467 |
| ISSN: | 1531-8613 0036-0236 |
| DOI: | 10.1134/s0036023617040039 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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