Temperature and temporal heterogeneities of water dynamics in the physiological temperature range

被引:4
作者
Atamas, N. [1 ,2 ]
Gavryushenko, D. [1 ]
Yablochkova, K. S. [1 ]
Lazarenko, M. M. [1 ]
Taranyik, G. [2 ]
机构
[1] Taras Shevchenko Natl Univ Kyiv, UA-01601 Kiev, Ukraine
[2] Int European Univ, UA-03187 Kiev, Ukraine
关键词
Water; Temperature; Self-diffusion; Relaxation; Structure; Molecular dynamics; Mean square displacement; Radial distribution function; LIQUID WATER; VISCOSITY; SCATTERING; SPECTROSCOPY; CONFINEMENT; RELAXATION; SIMULATION; HYDRATION; PRESSURE; CLUSTERS;
D O I
10.1016/j.molliq.2021.117201
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We present a systematic study of the impact of temperature on the microscopic dynamics of water in the physiologically important temperature range. We also offer a detailed account of the diffusion model for water and discuss the time-dependent dynamics of water and the relaxation processes in the range of temperatures important from the physiological viewpoint. We report that the temperature dependence of a-relaxation time at T= (308 divided by 315) K deviates from the linear behavior, indicating the change in the mechanisms of diffusion in water. Such change occurs as water molecules slow down due to the increase in the molecule's jump time by an inter-particle distance from one equilibrium state into another. Two diffuse regimes of water molecules motion are identified at T= 308 K and T= 315 K, pointing at the existence of two diffusion regimes. These two regimes are paramount in determining the dynamics of water and the interaction of water with biomolecules in this physiologically important temperature range. (C) 2021 Elsevier B.V. All rights reserved.
引用
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页数:9
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