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首页> 外文期刊>International Journal of Heat and Mass Transfer >Effects of interface wettability on microscale flow by molecular dynamics simulation
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Effects of interface wettability on microscale flow by molecular dynamics simulation

机译：分子动力学模拟界面润湿性对微尺度流动的影响

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摘要

Non-equilibrium molecular dynamic simulations have been carried out to study the effect of the interface wettability on the pressure driven flow of a Lennard-Jones (LJ) fluid in a nanochannel. The results show that the hydrodynamic boundary condition at the solid-liquid interface depends on both the interface wettability and the magnitude of the driving force. For a LJ fluid in a nanochannel with hydrophilic surfaces, the velocity profiles have the traditional parabolic shape. The no-slip boundary condition may break down when the driving force exceeds a critical value that overcomes the interfacial resistance. In such a case, the MD results show a pattern of an adsorbing layer sliding along the solid wall. For a LJ fluid in a nanochannel with hydrophobic interfaces, the results show that a gap exists between the liquid and the surface, resulting in almost frictionless resistance; the velocity shows a plug flow profile and the slip length is not constant but depends on the driving force. Furthermore, it is found that the non-uniform temperature and pressure profiles near the solid walls are owing to the effect of interface wettability.
机译：已经进行了非平衡分子动力学模拟，以研究界面润湿性对纳米通道中Lennard-Jones（LJ）流体的压力驱动流的影响。结果表明，固液界面的水动力边界条件既取决于界面的润湿性，又取决于驱动力的大小。对于具有亲水表面的纳米通道中的LJ流体，速度分布具有传统的抛物线形状。当驱动力超过克服界面阻力的临界值时，防滑边界条件可能会失效。在这种情况下，MD结果显示出吸附层沿着固体壁滑动的模式。对于具有疏水性界面的纳米通道中的LJ流体，结果表明，在液体和表面之间存在间隙，导致几乎无摩擦的阻力。速度显示出塞流曲线，滑移长度不是恒定的，而是取决于驱动力。此外，发现由于界面润湿性的影响，固体壁附近的温度和压力分布不均匀。

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