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Relaxation Processes in a Dimethylimidazolium Chloride-methanol System
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نویسنده
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atamas n. ,gavryushenko d. ,bakumenko m. ,yablochkova k. ,lazarenko m.
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منبع
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physical chemistry research - 2021 - دوره : 9 - شماره : 2 - صفحه:301 -310
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چکیده
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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.
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کلیدواژه
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Ionic liquids ,Methanol ,Non-Gaussian parameter ,Mean squared displacement ,Diffusion model
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آدرس
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taras shevchenko national university of kyiv, physical faculty, Ukraine, taras shevchenko national university of kyiv, physical faculty, Ukraine, taras shevchenko national university of kyiv, physical faculty, Ukraine, taras shevchenko national university of kyiv, physical faculty, Ukraine, taras shevchenko national university of kyiv, physical faculty, Ukraine
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پست الکترونیکی
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maxs@univ.kiev.ua
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Authors
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