Computer Simulation of Lennard-Jones Fluid’s Viscosity Using Molecular Dynamics Method at Nano Scale System

Molecular dynamic simulation (MD) has been used to determine the transport coefficients in nano-scale systems. In this work, viscosity coefficients for Lennard-Jones fluid are determined by molecular dynamic simulation, using Green-Kubo integral methods. Simulated states cover a vast range of fluids from the low density gases to the compressed liquids, in sub-critical as well as super-critical regions. The simulations are performed for vast range of particles. The temperature and density dependence of the viscosity is studied. The validity of the models was evaluated by comparing the calculated viscosity with the published data of other researchers. This study is also compared with the Heye’s work which has extended for Lennard-Jones fluid in macro systems; increasing the size of the system caused to decreasing the differences between the results of this work and Heye’s work. In the Heye’s work, the size of the system was disregarded and hence, it is not suitable for Nano and micro systems; in contrast, the molecular dynamic is a valuable method for simulating the systems in Nano scales