An Investigation of Transition Flow in Porous Media by Event Driven Molecular Dynamics Simulation

Abstract

Aim of this study is to investigate the properties of mono-atomic gas flow through the porous medium by using Event-Driven Molecular Dynamics (EDMD) simulation in the transition regime. The molecules and the solid particles forming the porous structure were modelled as hard spheres hence molecule trajectories, collision partners, interaction times and post-collision velocities were calculated deterministically. The porous medium is formed of spherical particles suspended in the middle of the channel and these particles are distributed into the channel in a regular cubic array. Collisions of gas molecules with porous medium were provided by means of the specular reflection boundary condition. A negative pressure boundary condition was applied to the inlet and outlet of the porous media to ensure gas flow. Porosity, solid sphere diameter and Knudsen number (Kn) were initially input to the simulation for different Cases. Thus, the effects of these parameters on mass flow rate, dynamic viscosity, tortuosity and permeability were calculated by EDMD simulation. The results were compared with the literature and were found to be consistent.

Keywords

• event driven molecular dynamic simulation; knudsen number; porosity; tortuosity; permeability; viscosity; mass flow rate; transition regime; darcy’s law; klinkenberg’s theory.