The pinning characteristics of droplets and the self-repair mechanism of lubricating film on nanoporous surface: A molecular dynamics perspective

IF 3.7 3区 工程技术 Q2 ENGINEERING, CHEMICAL Chemical Engineering Research & Design Pub Date : 2024-10-19 DOI:10.1016/j.cherd.2024.10.018
Shuaifeng Chen , Guotao Zhang , Zhaochang Wang , Baohong Tong , Yanhong Sun , Deyu Tu
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Abstract

The nanoscale pore gives rich dynamic information to the flow behavior of the droplets exuded on the SLIPS (Smooth Liquid-Infused Porous Surface). The key to realizing fast self-healing of lubricating film is to understand the dynamic law of droplets at nano-orifice. In this paper, a dynamics model of the exudation and spreading behavior is established by the non-equilibrium molecular dynamics simulation. The characteristics and the mechanism of pinning and spreading of nano-droplets were studied. We found that adjusting the wettability and pore diameter can change the liquid exudation and the pinning time of droplets at the orifice. The weaker wettability and larger pore diameter both can increase the exudation velocity and reduce the pinning time of the droplets, which then improves the spreading of exuded droplets and the self-repairing efficiency of the damaged liquid film. As the pore diameter increases, the spreading area of the droplets on the surface of the pore increases. The increase in the wettability also facilitates the spreading behavior, but the outflow rate of the liquid from the pore decreases. Under the combined effect of the two factors, the spreading area of droplets first increases and then decreases with the wettability increases. The results provide potential insights into the spreading mechanism of nanodroplets on porous surfaces.
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纳米多孔表面液滴的钉扎特性和润滑膜的自我修复机制:分子动力学视角
纳米级孔隙为液滴在 SLIPS(光滑液体注入多孔表面)上的流动行为提供了丰富的动态信息。要实现润滑膜的快速自修复,关键在于了解液滴在纳米孔隙中的动态规律。本文通过非平衡分子动力学模拟,建立了渗出和扩散行为的动力学模型。研究了纳米液滴的捏合和扩散特征及其机理。我们发现,调整润湿性和孔径可以改变液体的渗出量和液滴在孔口的钉扎时间。较弱的润湿性和较大的孔径都能提高液滴的渗出速度并缩短其钉住时间,从而改善渗出液滴的扩散和受损液膜的自我修复效率。随着孔隙直径的增大,液滴在孔隙表面的扩散面积也随之增大。润湿性的增加也促进了铺展行为,但孔隙中液体的流出率却降低了。在这两个因素的共同作用下,液滴的铺展面积随着润湿性的增加先增大后减小。这些结果为了解纳米液滴在多孔表面上的扩散机制提供了潜在的启示。
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来源期刊
Chemical Engineering Research & Design
Chemical Engineering Research & Design 工程技术-工程:化工
CiteScore
6.10
自引率
7.70%
发文量
623
审稿时长
42 days
期刊介绍: ChERD aims to be the principal international journal for publication of high quality, original papers in chemical engineering. Papers showing how research results can be used in chemical engineering design, and accounts of experimental or theoretical research work bringing new perspectives to established principles, highlighting unsolved problems or indicating directions for future research, are particularly welcome. Contributions that deal with new developments in plant or processes and that can be given quantitative expression are encouraged. The journal is especially interested in papers that extend the boundaries of traditional chemical engineering.
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