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本文采用分子动力学(MD)方法对流体流过单个纳米尺度孔的过程进行数值模拟。纳米尺度孔是由两块平行的三氧化二铝平板构成的。通过对孔内每个水分子施加均匀的外力来驱动流体流动。分子之间的相互作用都采用12-6 L-J势能模型来描述。本文数值模拟了流体输运的孔尺度效应,分析了孔尺度对壁面速度是否存在滑移的影响,讨论了驱动力和通道尺度对滑移速度和壁面动力黏性系数的影响,模拟发现存在一临界尺度,它决定了是否存在滑移,还发现特定尺度下存在一临界驱动力,它决定了等效黏度的非牛顿流体特征。
In this paper, the molecular dynamics (MD) method is used to simulate the flow of fluid through a single nanometer scale hole. Nano-scale holes are made of two parallel plates of aluminum oxide. The flow of fluid is driven by applying a uniform external force to each water molecule in the well. The molecular interactions are described by the 12-6 L-J potential model. This paper numerically simulates the pore-scale effect of fluid transport and analyzes the effect of pore size on the existence of slip on the wall velocity. The effects of the driving force and channel size on the slip velocity and the dynamic viscous coefficient of the wall are discussed. The critical scale, which determines whether there is slip, also finds that there is a critical driving force at a particular scale that determines the non-Newtonian fluid characteristics of equivalent viscosity.