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DYNAMIC WETTING ON MOVING SURFACES: A MOLECULAR DYNAMICS STUDY

机译:运动表面上的动态润湿:分子动力学研究

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We report molecular dynamics (MD) simulations of the dynamic wetting of nanoscale droplets on moving surfaces. The dynamic water contact angle and contact angle hysteresis are measured as a function of capillary number on smooth silicon and graphite surfaces. The hydrogen bonding and density profile variations are also reported, and the width of the water depletion layer is evaluated for droplets on three different static surfaces: silicon, graphite and a fictitious super-hydrophobic surface. Our results show that molecular displacements at the contact line are mostly influenced by interactions with the solid surface, while the viscous dissipation effects induced through the movement of surfaces are found to be negligible, especially for hydrophobic surfaces. This finding is in contrast with the wetting dynamics of macroscale droplets, which show significant dependence on the capillary number. This study may yield new insight into surface-wettability characteristics ofnano droplets, in particular, developing new boundary conditions for continuum solvers for liquid flows in micro- and nanoscale devices.
机译:我们报告了分子动力学(MD)模拟的动态液滴在运动表面上的动态润湿。动态水接触角和接触角磁滞是在光滑的硅和石墨表面上作为毛细管数的函数进行测量的。还报道了氢键和密度分布的变化,并且针对三个不同的静态表面(硅,石墨和虚拟超疏水表面)上的液滴评估了水耗竭层的宽度。我们的结果表明,接触线处的分子位移主要受与固体表面相互作用的影响,而通过表面运动引起的粘性耗散效应却可以忽略不计,尤其是对于疏水性表面。该发现与宏观液滴的润湿动力学相反,后者对毛细管数有显着依赖性。这项研究可能会为纳米液滴的表面润湿性特征提供新的见解,尤其是为微米级和纳米级设备中液体流动的连续求解器开发新的边界条件。

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