Prediction of Thermal Conductivity and Viscosity of Nanofluids by Molecular Dynamics Simulation

Limitations of conventional heat transfer fluids in different industries because of their poor thermal conductivity made heat transfer improvement in working fluids was performing, as a new method of advanced heat transfer. Therefore, the dispersion solid particle idea in fluids, which has been started with mili- and micrometer particles, completed by using nanoparticles and today nanofluids have been found to provide a considerable heat transfer and viscosity enhancement in comparison to conventional fluids such as water, ethylene glycol, and engine oil. In this study, molecular dynamics simulation was used to predict thermal conductivity and viscosity of nanofluids. Water was used as a base fluid. The simple point charge-extended (SPC/E) model was used for simulation of water and Ewald sum method for electrostatic interactions. Lennard-Jones potential for Van der Waals interactions, KTS potential for water and SiO2 and Spor and Heinzinger correlation for water and Pt were used. The results were compared with experimental data. For investigation of the effect of temperature, simulation was done for three temperatures of 20, 30, and 50 degrees C. The results showed that the ratio of thermal conductivity of nanofluid to base fluid and viscosity will decrease as the temperature increases. The effect of the concentration of nanoparticle was studied for three different concentrations, namely, 0.45, 1.85, and 4%. The thermal conductivity of nanofluid increases with increasing the concentration. Moreover, the effect of two nanoparticle sizes (i.e., 5 and 7 nm) on the thermal conductivity of nanofluid was investigated. It was shown that an increase in the size causes a decrease in the thermal conductivity. Finally, by replacing the SiO2 nanoparticle with a Pt nanoparticle in the nanofluid, it was observed that the kind of nanoparticle had not a considerable effect on increasing the thermal conductivity of nanofluid.