Stokes-Einstein-Debye relation in TIP5P water

doi:10.1088/1674-1056/ad94e3

中国物理B ›› 2025, Vol. 34 ›› Issue (2): 26101-026101.doi: 10.1088/1674-1056/ad94e3

Stokes-Einstein-Debye relation in TIP5P water

Gan Ren(任淦)†

School of Science, Civil Aviation Flight University of China, Guanghan 628307, China

收稿日期:2024-09-18 修回日期:2024-11-17 接受日期:2024-11-20 出版日期:2025-02-15 发布日期:2025-01-15
通讯作者: Gan Ren E-mail:rengan@alumni.itp.ac.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 12104502), the Natural Science Foundation of Sichuan Province (Grant No. 2023YFG0308), and the Fundamental Research Funds for the Central Universities (Grant No. 24CAFUC03057).

Stokes-Einstein-Debye relation in TIP5P water

Gan Ren(任淦)†

School of Science, Civil Aviation Flight University of China, Guanghan 628307, China

Received:2024-09-18 Revised:2024-11-17 Accepted:2024-11-20 Online:2025-02-15 Published:2025-01-15
Contact: Gan Ren E-mail:rengan@alumni.itp.ac.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 12104502), the Natural Science Foundation of Sichuan Province (Grant No. 2023YFG0308), and the Fundamental Research Funds for the Central Universities (Grant No. 24CAFUC03057).

摘要/Abstract

摘要： The Stokes-Einstein-Debye (SED) relation in TIP5P water is tested with the original formula and its variants within the temperature range 240-390 K. The results indicate that although the variants explicitly break down, the original SED relation is almost valid. Compared with the Stokes-Einstein relation, no explicit decoupling is observed in translational and rotational motion. Variation of the effective hydrodynamic radius is critical to testing the validity of the SED relation.

关键词: Stokes-Einstein-Debye relation, TIP5P water, effective hydrodynamic radius, Stokes' formula

Abstract: The Stokes-Einstein-Debye (SED) relation in TIP5P water is tested with the original formula and its variants within the temperature range 240-390 K. The results indicate that although the variants explicitly break down, the original SED relation is almost valid. Compared with the Stokes-Einstein relation, no explicit decoupling is observed in translational and rotational motion. Variation of the effective hydrodynamic radius is critical to testing the validity of the SED relation.

Key words: Stokes-Einstein-Debye relation, TIP5P water, effective hydrodynamic radius, Stokes' formula

中图分类号: (Computer simulation of liquid structure)

61.20.Ja

61.20.Gy (Theory and models of liquid structure)

Gan Ren(任淦). Stokes-Einstein-Debye relation in TIP5P water[J]. 中国物理B, 2025, 34(2): 26101-026101.

Gan Ren(任淦). Stokes-Einstein-Debye relation in TIP5P water[J]. Chin. Phys. B, 2025, 34(2): 26101-026101.

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Stokes-Einstein-Debye relation in TIP5P water

Stokes-Einstein-Debye relation in TIP5P water

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