纳米流体热物性的分子动力学模拟

he thermal conductivity of nanofluid is enhanced to a very large degree compared to the base fluid. However this thermal phenomenon can not be explained by existing theories. In this paper the thermal conductivity of the nanofluid is studied by an equilibrium molecular dynamics simulation. The property of molecular layering at liquid-solid interface and its effect on the thermal conductivity of the nanofluid are also investigated. By tracking the position of the nanoparticle and the liquid atoms around the spherical nanoparticle, it was found that a thin layer of liquid is formed at the interface between the nanoparticle and liquid. In the liquid layer the atoms are more crowded than in base fluid and then they will collide more frequently and transfer more energy. Consequently the thermal conductivity of the nanofluid is enhanced. Through the analysis of the density distribution of the liquid near the nanoparticle the thickness of the layering is calculated under the parameters used in this paper.