Enhanced local viscosity around colloidal nanoparticles probed by Equilibrium Molecular Dynamics Simulations

Reza Rabani (1) , Mohammad Hassan Saidi (1) , Laurent Joly (2, 3) , Samy Merabia (2) , Ali Rajabpour (4)

1 SUT - Sharif University of Technology [Tehran]
2 iLM - MMCI - iLM - Modélisation de la matière condensée et des interfaces
3 IUF - Institut universitaire de France
4 IKIU - Imam Khomeini International University

Nanofluids-dispersions of nanometer-sized particles in a liquid medium-have been proposed for a wide variety of thermal management applications. It is known that a solid-like nanolayer of liquid of typical thickness 0.5-1 nm surrounding the colloidal nanoparticles can act as a thermal bridge between the nanoparticle and the bulk liquid. Yet, its effect on the nanofluid viscosity has not been elucidated so far. In this article, we compute the local viscosity of the nanolayer using equilibrium molecular dynamics based on the Green-Kubo formula. We first assess the validity of

Mots clés: Diffusion coefficient; Molecular dynamics; Viscosity; Nanofluidics; Nanoparticles

Domaines: Physique [physics]; Sciences de l'ingénieur [physics]

Reza Rabani, Mohammad Hassan Saidi, Laurent Joly, Samy Merabia, Ali Rajabpour. Enhanced local viscosity around colloidal nanoparticles probed by Equilibrium Molecular Dynamics Simulations. Journal of Chemical Physics, 2021, 155 (17), pp.174701. ⟨10.1063/5.0065050⟩. ⟨hal-03371017⟩