MOLECULAR DYNAMIC SIMULATION OF COUETTE FLOW OF LIQUID ARGON IN NANOCHANNEL

Fluid flow in nanochannels is attracting increasing attention for a wide range of potential applications such as drug delivery, desalination, and DNA analysis. As experimental study in nanoscales is still a challenging task facing scientific society, different numerical technologies such as Molecular Dynamics (MD) method are becoming powerful tools for understanding the fluid behaviors at molecular level in nanofluidics. In the present study, MD simulation method, which is based on Newton's second law, is employed to study the liquid argon flows through smooth and rough nanochannels. The effects of various parameters including moving-wall speed, nanochannel height, pair coefficients of fluid/wall interaction, and surface roughness on velocity profiles and slip velocity were investigated. Preliminary results show that these parameters have a significant impact on the flows in nanoscales.