Molecular dynamics modeling of thermal conductivity enhancement in metal nanoparticle suspensions

A theoretical approach based on molecular dynamics modeling, for the estimation of the enhancement of the thermal conductivity of liquids by the introduction of suspended metallic nanoparticles is proposed. Algorithms are developed for simulating the nanofluid abiding the procedural steps of the molecular dynamics method. The method is presented as a solution to the generic problem of thermal conductivity enhancement of liquids in the presence of nanoparticles, and illustrated using a specific simulation procedure with properties representing water and platinum nanoparticles. The thermal conductivity enhancement estimated using the simulations are compared with existing experimental results and those predicted by conventional effective medium theories. Parametric studies are conducted to obtain the variation of thermal conductivity enhancement with the temperature and the volume fraction of the nanoparticles in the suspension. (C) 2008 Elsevier Ltd. All rights reserved.