过冷水斯托克斯-爱因斯坦关系的守恒。
Conservation of the Stokes-Einstein relation in supercooled water.
作者信息
Ren Gan, Wang Yanting
机构信息
School of Science, Civil Aviation Flight University of China, Guanghan 628307, China.
CAS Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing 100190, China.
出版信息
Phys Chem Chem Phys. 2021 Nov 10;23(43):24541-24544. doi: 10.1039/d1cp03972e.
The Stokes-Einstein (SE) relation is commonly regarded as being breakdown in supercooled water. However, this conclusion is drawn by testing the validity of some variants of the SE relation rather than its original form, and it appears conflicting with the fact that supercooled water is in its local equilibrium. In this work, we show by molecular dynamics simulations that the Stokes-Einstein relation is indeed conserved in supercooled water. The inconsistency between the original SE relation and its variants comes from two facts: (1) the substitutes of the shear viscosity in the SE variants are only approximate relations; and (2) the effective hydrodynamic radius actually decreases with decreasing temperature, instead of being a constant as assumed in the SE variants.
斯托克斯 - 爱因斯坦（SE）关系通常被认为在过冷水状态下失效。然而，这一结论是通过测试SE关系的某些变体的有效性得出的，而非其原始形式，并且这似乎与过冷水处于局部平衡的事实相矛盾。在这项工作中，我们通过分子动力学模拟表明，斯托克斯 - 爱因斯坦关系在过冷水中确实是成立的。原始SE关系与其变体之间的不一致源于两个事实：（1）SE变体中剪切粘度的替代物只是近似关系；（2）有效流体动力学半径实际上随着温度降低而减小，而不是如SE变体中所假设的那样为常数。
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