Role of the collective self-diffusion in water and other liquids

被引:62
作者
Bulavin, Leonid A. [1 ]
Lokotosh, Tatjana V. [2 ]
Malomuzh, Nikolay P. [2 ]
机构
[1] Kiev Natl Univ, Dept Mol Phys, UA-03680 Kiev, Ukraine
[2] Odessa Natl Univ, Dept Theoret Phys, UA-65026 Odessa, Ukraine
关键词
water; self-diffusion; collective contribution to the self-diffusion coefficient; incoherent scattering of cold neutrons; hydrodynamic fluctuations theory;
D O I
10.1016/j.molliq.2007.05.003
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
This paper is devoted to collective effects in the transport processes in liquids. Special attention is paid to the collective contributions D-c to self-diffusion coefficients D, of liquids, especially for normal and supercooled water. The theoretical estimates for D, are obtained on the basis of the Lagrange theory of thermal hydrodynamic fluctuations, the experimental ones by analysis of the wave vector dependence of the half-width of the quasi-elastic incoherent neutron scattering peak. It is shown that theoretical predictions and experimental values of D, are in good agreement. The ratio D-c/D-s increases from (0.05-0.2) for liquids of different types near their crystallization point up to (0.3-0.5) at T/T-c similar to 0.8, where T-c is the critical temperature. This shows that collective effects play a very important role in the transport phenomena in liquids. The similarity and the difference of the self-ditfusion and shear viscosity in water and simple liquids are carefully discussed. It is shown that the crystal-like representations of thermal motion in water are applicable only up to the temperature T-H is an element of (315 divided by 320)K, which can be interpreted as the temperature of dynamic phase transition. (c) 2007 Published by Elsevier B.V.
引用
收藏
页码:1 / 24
页数:24
相关论文
共 106 条
[1]   VELOCITY AUTOCORRELATIONS FOR HARD SPHERES [J].
ALDER, BJ ;
WAINWRIGHT, TE .
PHYSICAL REVIEW LETTERS, 1967, 18 (23) :988-+
[2]   STUDIES IN MOLECULAR DYNAMICS .8. TRANSPORT COEFFICIENTS FOR A HARD-SPHERE FLUID [J].
ALDER, BJ ;
GASS, DM ;
WAINWRIGHT, TE .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (10) :3813-+
[3]   DECAY OF VELOCITY AUTOCORRELATION FUNCTION [J].
ALDER, BJ ;
WAINWRIGHT, TE .
PHYSICAL REVIEW A-GENERAL PHYSICS, 1970, 1 (01) :18-+
[4]  
Andrianova I.S., 1967, J STRUCT CHEM, V8, P813
[5]  
Anisimov M. A., 1987, Critical Phenomena in Liquids and Liquid Crystals
[6]  
[Anonymous], ZHETP SSSR
[7]   The pressure dependence of self-diffusion and spin lattice relaxation in cold and supercooled H2O and D2O [J].
Arnold, MR ;
Lüdemann, HD .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2002, 4 (09) :1581-1586
[8]   Functional form of the repulsive potential in the high pressure region [J].
Bardic, VY ;
Malomuzh, NP ;
Sysoev, VM .
JOURNAL OF MOLECULAR LIQUIDS, 2005, 120 (1-3) :27-30
[9]  
BLANCKENHAGEN PV, 1972, BERICH BUNSEN GESELL, V76, P891
[10]   Temperature dependence of density, thermal expansion coefficient and shear viscosity of supercooled glycerol as a reflection of its structure [J].
Blazhnov, IV ;
Malomuzh, NP ;
Lishchuk, SV .
JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (13) :6435-6441