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Simulation studies on fluid density distribution of micro-flows in a nano-channel

Hu Hai-Bao Bao Lu-Yao Huang Su-He

Simulation studies on fluid density distribution of micro-flows in a nano-channel

Hu Hai-Bao, Bao Lu-Yao, Huang Su-He
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Publishing process
  • Received Date:  17 January 2013
  • Accepted Date:  27 February 2013
  • Published Online:  05 June 2013

Simulation studies on fluid density distribution of micro-flows in a nano-channel

  • 1. College of Marine, Northwestern Polytechnical University, Xi’an 710072, China
Fund Project:  Project supported by the National Natural Science Foundation of China (Grant No. 51109178), the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20116102120009), and the Open Project of State Key Laboratory of Solid Lubrication, China (Grant No. 1210).

Abstract: The flow in microchannel involves many microscale effects, because of its large ratio of superficial area to volume. And it further causes the density profiles of flow in microchannel to be greatly different from in the macro-channel. In this paper we investigate the effects of three factors (εLL, σLL, σLS) on density profile of micro-flow via the Poiseuille flow in a nanochannel using none-equilibrium molecular dynamics simulation method. In our study, we selected NVE as the statical ensemble, LJ/126 model as the potential energy function. We also adopt the Rigid-atom model to describe the wall and the temperature thermostat through using the time/rescale methods. The motion equations are solved using Verlet algorithm. The results show that as the interaction between flow atoms decreases, the oscillation degree of density profiles near the wall increases. The balance distance (σLL) between flow atoms affects the existence state and density profiles of flow in the micro channel: the greater σLL causes the flow atoms to be arranged as the fcc structure liking a solid, while smaller σLL results in the flow atoms moving as a changeable "cluster". The balance distance (σLS) between wall atoms and flow atoms also has a significant influence on flow density. As σLS increases, the oscillation degrees of density profile near the wall and the distance between the starting point of density profile and wall increase. Besides, we analyze the mechanism of effects of the interaction between the flow atoms on density distribution based on the "capture-escape " behavior of atoms adjoining the wall.

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