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Stokes–Einstein Relation in Different Models of Water

S. A. Khrapak, A. G. Khrapak

2024Molecules20 citationsDOIOpen Access PDF

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.

Topics & Concepts

Relation (database)Shear viscosityEinsteinRADIUSViscosityPhysicsLiquid waterStatistical physicsThermodynamicsMathematical physicsComputer scienceData miningComputer securityMaterial Dynamics and Propertiesnanoparticles nucleation surface interactionsPhase Equilibria and Thermodynamics