Classical solution of Navier-Stokes equations with nonslip boundary condition leads to inaccurate predictions of flow characteristics of rarefied gases confined in micro/nanochannels. Therefore, molecular interaction based simulations are often used to properly express velocity and temperature slips at high Knudsen numbers (Kn) seen at dilute gases or narrow channels. In this study, an event-driven molecular dynamics (EDMD) simulation is proposed to estimate properties of hard-sphere gas flows. Considering molecules as hard-spheres, trajectories of the molecules, collision partners, corresponding interaction times, and postcollision velocities are computed deterministically using discrete interaction potentials. On the other hand, boundary interactions are handled stochastically. Added to that, in order to create a pressure gradient along the channel, an implicit treatment for flow boundaries is adapted for EDMD simulations. Shear-Driven (Couette) and Pressure-Driven flows for various channel configurations are simulated to demonstrate the validity of suggested treatment. Results agree well with DSMC method and solution of linearized Boltzmann equation. At low Kn, EDMD produces similar velocity profiles with Navier-Stokes (N-S) equations and slip boundary conditions, but as Kn increases, N-S slip models overestimate slip velocities.
In this study, pressure-driven flow through a slit-type obstacle with various length (L) and height (H) placed in between two parallel plates was investigated by Event Driven Molecular Dynamics (EDMD) simulation. Mach number, temperature and pressure distributions were obtained along the channel in the transition regime. The change in these macroscopic properties and flow rate were examined for different cases created by changing Knudsen number (Kn) of the gas, the geometry of the slit and the outlet/inlet pressure ratio of the flow. Collision of gas molecules with plates and the obstacle were modeled with diffuse reflection boundary condition. The flow rate showed a sudden change in the transition regime and significant differences in the molecular regime depending on the pressure ratio. Except for the Kn, H and L dimensions were found to be effective in Mach disc formation. Pressure drops at the exit of the slit were shaped differently in normalized pressure profiles depending on Kn, H and L dimensions. In addition, the structure of the vortices formed at the entrance and exit of the slit varies depending on Kn. Some of the results obtained were confirmed to be consistent with the similar studies in the literature.
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