Multiscale Simulation of Liquid Flow in Nanofluidic Channel Coated with Polymer Brush

Ying Yu; Yu Xin Zuo; Peng Liu; Chun Cheng Zuo

doi:10.4028/www.scientific.net/AMR.677.90

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Multiscale Simulation of Liquid Flow in Nanofluidic Channel Coated with Polymer Brush

Abstract:

A Multiscale simulation method is used to study the liquid flow in nanofluidic channel coated with polymer brushes. Molecular dynamics (MD) simulation is introduced in the particle region and Navier-Stokes (NS) equations are applied in the remaining region where the continuum assumption is still valid. The effects of the shear rate and the number of polymer chains on the flow velocity are investigated. The velocities obtained from MD simulations in particle region are connected to the region of continuum. Our study demonstrates that the multiscale simulation method presented here is reasonable in exploring the liquid flow in nanochannel coated with polymer brushes.