Molecular dynamics-based prediction of boundary slip of fluids in nanochannels

被引:53
作者
Zhang, Hongwu [1 ]
Zhang, Zhongqiang [1 ,2 ]
Ye, Hongfei [1 ]
机构
[1] Dalian Univ Technol, Fac Vehicle Engn & Mech, Dept Engn Mech, State Key Lab Struct Anal Ind Equipment, Dalian 116024, Peoples R China
[2] Jiangsu Univ, Micro Nano Sci & Technol Ctr, Zhenjiang 212013, Peoples R China
基金
中国国家自然科学基金;
关键词
Boundary slip; Poiseuille flows; Nanochannel; Molecular dynamics simulation; SOLID INTERFACE; CONFINED LIQUIDS; FLOW; SIMULATION; CONTINUUM; SOLIDIFICATION; MICROCHANNELS; SURFACES; MODEL; GAS;
D O I
10.1007/s10404-011-0853-y
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
Computational modeling and simulation can provide an effective predictive capability for flow properties of the confined fluids in micro/nanoscales. In this paper, considering the boundary slip at the fluid-solid interface, the motion property of fluids confined in parallel-plate nanochannels are investigated to couple the atomistic regime to continuum. The corrected second-order slip boundary condition is used to solve the Navier-Stokes equations for confined fluids. Molecular dynamics simulations for Poiseuille flows are performed to study the influences of the strength of the solid-fluid coupling, the fluid temperature, and the density of the solid wall on the velocity slip at the fluid boundary. For weak solid-fluid coupling strength, high temperature of the confined fluid and high density of the solid wall, the large velocity slip at the fluid boundary can be obviously observed. The effectiveness of the corrected second-order slip boundary condition is demonstrated by comparing the velocity profiles of Poiseuille flows from MD simulations with that from continuum.
引用
收藏
页码:107 / 115
页数:9
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