A molecular dynamics-stochastic model for thermal conductivity of nanofluids and its experimental validation.

A model to predict the enhanced thermal conductivity of water based copper nanofluid on the basis of molecular dynamics simulation coupled with stochastic simulation shows for the first time that the temperature of a copper nanoparticle colliding with a heat source can rise rapidly within the short collision period (e.g., 10-50 ps) estimated by impact dynamics due to phonon transfer. Thereafter the particles undergo Brownian movement in the base fluid and transfer the excess heat in about 2 to 3 ms to the surrounding fluid resulting in an appreciable enhancement of the thermal conductivity of the fluid. Microconvection has minor contribution to the enhanced thermal conductivity of nanofluids. The predicted thermal conductivity of nanofluid and its variation with the volume fraction of the nanoparticles agree well with the present experiments, as well as, with the data reported in the literature.