Author/Authors :
atamas, n. taras shevchenko national university of kyiv - physical faculty, Kyiv, Ukraine , gavryushenko, d. taras shevchenko national university of kyiv - physical faculty, Kyiv, Ukraine , bakumenko, m. taras shevchenko national university of kyiv - physical faculty, Kyiv, Ukraine , yablochkova, k. taras shevchenko national university of kyiv - physical faculty, Kyiv, Ukraine , lazarenko, m. taras shevchenko national university of kyiv - physical faculty, Kyiv, Ukraine
Abstract :
The molecular dynamics method was used to study the short time relaxation processes in the dimethylimidazolium chloride-methanol system at T = 400 K. We demonstrate that the establishment of thermodynamic equilibrium in the dmim+/Cl--methanol system is associated with both short-time relaxation processes (β-relaxation) and at relatively long-time relaxation processes. The processes of β-relaxation at t 5 ps are accompanied by the change in the local structure of the dmim+/Cl--methanol system. The relaxation time is ~ 3.6 ps, which is the same as the time it takes the methanol molecule to jump by an inter-particle distance. At t ≥ 35 ps, dynamic processes can be considered within the framework of a relaxation model which describes the structural and dynamic processes in the liquid at relatively large time intervals.
Keywords :
Ionic liquids , Methanol , Non , Gaussian parameter , Mean squared displacement , Diffusion model
