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首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Static and Dynamic Wetting Behavior of Drops on Impregnated Structured Walls by Molecular Dynamics Simulation
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Static and Dynamic Wetting Behavior of Drops on Impregnated Structured Walls by Molecular Dynamics Simulation

机译：分子动力学模拟浸渍结构壁下降的静态和动态润湿行为

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摘要

Nanoscale drops on structured walls with which they interact through dispersive forces are investigated by molecular dynamics simulation. The drops are,in the impregnation wetting regime, and the influence of the structures, on the static and the dynamic wetting properties is studied. Drops of different size are simulated on six different walls which vary in the structure size and the wall morphology. Due to the nanoscale structure, there is a deviation of the interfacial tensions between the fluid and the wall from the value which would observed on a macroscopic length scale. This phenomenon leads to contact angles which are greater than those predicted by the Cassie model. Accounting for the deviation, of the interfacial tensions, the Cassie model is confirmed for drops on homogeneously structured walls but it is shown to be inadequate for inhomogeneously structured walls. The dynamics of drop spreading is analyzed. It is observed that the presence of the wall structure poses hurdles to the spreading dynamics. The speed of spreading slows down with increasing structure size. The mechanism of drop spreading is observed to happen via the formation of local liquid protrusions of the drop and subsequent broadening of the protrusions. In the stable state, drop configurations are found which break the Symmetry imposed by the wall geometry.
机译：纳米级滴在结构墙上，它们通过分子动力学模拟研究了它们通过分散力进行互动。在浸渍润湿状态下，液滴研究了静态和动态润湿性能的结构。在六个不同的墙壁上模拟不同尺寸的滴，其在结构尺寸和壁形态变化。由于纳米级结构，流体与壁之间的界面张力与在宏观长度尺度上观察到的值之间的界面张力偏差。这种现象导致接触角度大于Cassie模型预测的角度。对偏差张力的偏差进行差，Cassie模型被确认为均匀的结构墙壁上的液滴，但是对于不可通的结构墙壁表示不充分。分析了下降扩散的动态。观察到墙体结构的存在姿势困扰着扩散动态。随着结构尺寸的增加，散布速度减慢。观察到下降蔓延的机制通过形成局部液体突起和随后的突起而形成。在稳定状态下，发现下降配置，该配置破坏了壁几何形状施加的对称性。

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