Applicability of molecular dynamics method to the pressure-driven gas flow in finite length nano-scale slit pores

被引:23
作者
Bao, Fubing [1 ]
Huang, Yuanlin [1 ]
Qiu, Limin [2 ]
Lin, Jianzhong [1 ,3 ]
机构
[1] China Jiliang Univ, Inst Fluid Measurement & Simulat, Hangzhou, Zhejiang, Peoples R China
[2] Zhejiang Univ, Inst Refrigerat & Cryogen, Hangzhou 310003, Zhejiang, Peoples R China
[3] Zhejiang Univ, Dept Mech, State Key Lab Fluid Power Transmiss & Control, Hangzhou 310003, Zhejiang, Peoples R China
基金
中国国家自然科学基金;
关键词
pressure-driven; rarefied gas flow; Burnett equations; molecular dynamics; nano-scale slit pore; TANGENTIAL MOMENTUM ACCOMMODATION; MICRO-COUETTE-FLOW; BURNETT EQUATIONS; TRANSITION REGIME; SIMULATION; TRANSPORT; CONTINUUM; FLUIDS; MICROCHANNELS; COEFFICIENT;
D O I
10.1080/00268976.2014.960495
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
This study investigates the applicability of the molecular dynamics (MD) method to the pressure-driven gas flow in finite length nano-scale slit pores. The reflecting particle membrane is introduced to induce a pressure difference between the inlet and outlet. The flow properties are compared with those of the Burnett equations. The inlet and outlet pressures, as well as the mass flow rate in these two simulations are maintained the same by adjusting the tangential momentum accommodation coefficient in the Burnett simulation, which is found to be between 0.4 and 0.5. Qualitative and quantitative agreements are observed between the MD and Burnett simulation results in the bulk of the pore for both streamwise distributions and cross-section profiles. The MD simulation shows an advantage in the near-wall region, in which the wall force field dominates flow behaviour. This study indicates that MD simulation can be used to describe the pressure-driven gas flow characteristics in finite length nano-scale slit pores.
引用
收藏
页码:561 / 569
页数:9
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