Prediction of specific heat and thermal conductivity of nanofluids by a combined equilibrium and non-equilibrium molecular dynamics simulation

► A new combination of EMD and NEMD has been used to calculate the specific heat and thermal conductivity of nanofluids. ► This approach was tested by the nanofluid of silicon nitride nanoparticles in liquid argon. ► The effects of temperature and nanoparticle loadings on the thermal conductivity were investigated. ► The results showed the thermal transport enhancement of nanofluid was mostly due to the increased movement of liquid atoms. ► The comparison of results showed the kind of nanoparticle could not significant to increase the thermal conductivity.