Theoretical characterisation of nanofluids based on metallic nanoparticles and organic oils

Abstract

Equilibrium molecular dynamics simulation was used to model a nanofluid system composed of Cu nanoparticles and organic oils as base fluid (eutectic mixture of diphenyl oxide and biphenyl). The base fluid selected was an experimental fluid used as High Temperature-Heat Transfer Fluid in Concentrating Solar Power (CSP) plants. Thermodynamic properties as heat capacity and thermal conductivity were calculated and the results were compared with experimental data available. The comparison of some properties obtained from our simulated nanofluid system with experimental data let us to validate the model. The analysis of the Radial Function Distributions (RDFs) and the inspection of the Spatial Distribution Functions (SDFs) indicate the important role that plays the metal-oxygen interaction in the system. Dynamic properties as the diffusion coefficients of base fluid and nanofluid were computed according to Einstein relation by computing the mean square displacement (MSD).