Khrapak Sergey, Khrapak Alexey
Joint Institute for High Temperatures, Russian Academy of Sciences, 125412 Moscow, Russia.
Molecules. 2024 Nov 26;29(23):5587. doi: 10.3390/molecules29235587.
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.
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。