Stokes–Einstein Relation in Different Models of Water

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.

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Publication Details

Journal
Molecules
Published
2024-11-26
DOI
https://doi.org/10.3390/molecules29235587
Citations
13
Primary Topic
Material Dynamics and Properties
Type
article
Field-Weighted Citation Impact
1.52
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article

Stokes–Einstein Relation in Different Models of Water

S. A. Khrapak, A. G. Khrapak
13 citations
Molecules
Material Dynamics and Properties
1.52
article

Stokes–Einstein Relation in Different Models of Water

S. A. Khrapak, A. G. Khrapak
article en
13 citations

Abstract

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.

MoleculesVol. 29(23)
Joint Institute for High Temperatures (RU)
Clean water and sanitation
Openalex Percentile: Top 13%
Material Dynamics and Properties
1.52
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