Multi-Scale Modeling and Hybrid Atomistic-Continuum Simulation for Condensation of Gas Flow in a Micro-Channel

In this paper, we present a hybrid Molecular Dynamics/Finite Volume method to study flows in micro-channel involving phase changes. For the simulation of long micro/nano-channels, we adopt multiple molecular blocks along the flow direction, what enables the accurate capture of the velocity and temperature variations from the inlet to the outlet. The validity of the hybrid method is shown by comparisons with both analytical solutions and Finite Volume simulations. This method is then applied successfully to the study the hydrodynamic and thermal development of a fluid flow in a long micro/nano-channel with condensation.