Stokes-Einstein-Debye relation in TIP5P water

doi:10.1088/1674-1056/ad94e3

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.

Keywords: Stokes-Einstein-Debye relation TIP5P water effective hydrodynamic radius Stokes' formula

Received: 18 September 2024
Revised: 17 November 2024
Accepted manuscript online: 20 November 2024

PACS:	61.20.Ja	(Computer simulation of liquid structure)
	61.20.Gy	(Theory and models of liquid structure)

Fund: 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).

Corresponding Authors: Gan Ren
E-mail: rengan@alumni.itp.ac.cn

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Gan Ren(任淦) Stokes-Einstein-Debye relation in TIP5P water 2025 Chin. Phys. B 34 026101

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[1]	Fractional Stokes-Einstein relation in TIP5P water at high temperatures Gan Ren(任淦), Ge Sang(桑革). Chin. Phys. B, 2018, 27(6): 066101.

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