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Thermal Conductivity Computation of Nanofluids by Equilibrium Molecular Dynamics Simulation: Nanoparticle Loading and Temperature Effect

Published online by Cambridge University Press:  01 February 2011

Suranjan Sarkar and
R. Panneer Selvam
Suranjan Sarkar
Affiliation:
sxs13@uark.edu, University of Arkansas, Computational Mechanics and Nanotechnology Modeling laboratory, 735 W Treadwell St., Apt 37, Fayetteville, AR, 72701, United States, 2149577389
R. Panneer Selvam
Affiliation:
rps@uark.edu, University of Arkansas, Computational Mechanics Laboratory, BELL 4190, University of Arkansas, Fayetteville, AR, 72701, United States
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Abstract

A model nanofluid system of copper nanoparticles in argon base fluid was successfully modeled by molecular dynamics simulation. The interatomic interactions between solid copper nanoparticles, base liquid argon atoms and between solid copper and liquid argon were modeled by Lennard Jones potential with appropriate parameters. The effective thermal conductivity of the nanofluids was calculated through Green Kubo method in equilibrium molecular dynamics simulation for varying nanoparticle concentrations and for varying system temperatures. Thermal conductivity of the basefluid was also calculated for comparison. This study showed that effective thermal conductivity of nanofluids is much higher than that of the base fluid and found to increase with increased nanoparticle concentration and system temperature. Through molecular dynamics calculation of mean square displacements for basefluid, nanofluid and its components, we suggested that the increased movement of liquid atoms in the presence of nanoparticle was probable mechanism for higher thermal conductivity of nanofluids.

Keywords

nanoscalethermal conductivitysimulation

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