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不同水模型中的斯托克斯-爱因斯坦关系。

Stokes-Einstein Relation in Different Models of Water.

作者信息

Khrapak Sergey, Khrapak Alexey

机构信息

Joint Institute for High Temperatures, Russian Academy of Sciences, 125412 Moscow, Russia.

出版信息

Molecules. 2024 Nov 26;29(23):5587. doi: 10.3390/molecules29235587.

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.

摘要

本文的目的是讨论不考虑流体动力学半径的斯托克斯 - 爱因斯坦(SE)关系的微观版本在多大程度上适用于液态水。我们证明,安藤最近报道的[《化学物理杂志》159, 101102 (2023)]五种常用水模型的自扩散和剪切粘度数据与SE关系高度吻合。与实验结果的一致性也相当令人印象深刻。本文还简要讨论了SE关系适用性的局限性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fa50/11643712/b646e5a4203a/molecules-29-05587-g001.jpg

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