Stokes-Einstein Relation in Different Models of Water

被引：3

作者：

Khrapak, Sergey ^{[1
]}

Khrapak, Alexey ^{[1
]}

机构：

[1] Russian Acad Sci, Joint Inst High Temp, Moscow 125412, Russia

来源：

MOLECULES | 2024年 / 29卷 / 23期

关键词：

transport properties of water; Stokes-Einstein relation; diffusion; viscosity; DIFFUSION-COEFFICIENTS; SELF-DIFFUSION; VISCOSITY; FORMULATION; LIQUIDS;

D O I：

10.3390/molecules29235587

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The purpose of this paper is to discuss to which extent a microscopic version of the Stokes-Einstein (SE) relation without the hydrodynamic radius applies to liquid water. We demonstrate that the self-diffusion and shear viscosity data for five popular water models, recently reported by Ando [J. Chem. Phys. 159, 101102 (2023)], are in excellent agreement with the SE relation. The agreement with experimental results is also quite impressive. The limitations on the applicability of the SE relation are briefly discussed.

引用

页数：7

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