Chapter 1: Molecular dynamics modeling transport processes of fluids and nanofluids in bulk and nanochannels

This chapter has two aims. The first is the description of the molecular dynamics method to simulate the transport processes in nanofluids. Nanofluids with different metal nanoparticles are considered. As base fluids, the liquid argon and water at normal pressure are used. The transport process mechanisms of nanofluids are systematically discussed. The second goal of this chapter is related to the molecular dynamics simulation of transport processes in confined conditions and in nanochannels in particular. The transport processes in such conditions are considered as a special type of two-phase system consisting of fluid molecules and atoms of the channel walls. The viscosity of fluid in the plane and cylindrical nanochannels is systematically studied. The fluid viscosity may be controlled by changing the material of the channel walls. This effective viscosity may be larger or smaller than the fluid viscosity in the bulk.