论文标题
高摩擦表面上的润湿和润湿的不对称性起源于同一分子物理学
Asymmetry of wetting and de-wetting on high-friction surfaces originates from the same molecular physics
论文作者
论文摘要
三相接触线的运动是微流体和纳米流体学最相关的研究主题之一。根据许多流体动力学和分子模型,假定接触线的动力学被局部液化摩擦过度阻尼和支配,这意味着接触线速度和显微镜接触角之间存在迁移率关系。我们介绍并讨论一组非平衡原子分子动力学模拟,对二氧化硅样壁之间或局限于二氧化硅样壁之间或局限于上述关系的存在及其在润湿模式下的不变性(“自发性”或“强制”)。改变墙壁的润湿性后,已经注意到,更多的亲水性底物更容易湿而不是润湿。我们展示了如何通过接触线摩擦模型自动捕获这种不对称性,该模型解释了液体层之间的分子传输。简单地检查近乎接触线水分子的顺序和方向证实了模型的物理基础。最后,我们提出了一种区分接触线摩擦模型的方法,该模型克服了实验分辨率的局限性。这项工作构成了一个垫脚石,旨在脱神秘地神秘化,并强调接触线摩擦在建模三相接触线运动中的相关性。
The motion of three-phase contact lines is one of the most relevant research topics of micro- and nano-fluidics. According to many hydrodynamic and molecular models, the dynamics of contact lines is assumed overdamped and dominated by localised liquid-solid friction, entailing the existence of a mobility relation between contact line speed and microscopic contact angle. We present and discuss a set of non-equilibrium atomistic Molecular Dynamics simulations of water nanodroplets spreading on or confined between silica-like walls, showing the existence of the aforementioned relation and its invariance under wetting modes (`spontaneous' or `forced'). Upon changing the wettability of the walls, it has been noticed that more hydrophilic substrates are easier to wet rather than de-wet; we show how this asymmetry can be automatically captured by a contact line friction model that accounts for the molecular transport between liquid layers. A simple examination of the order and orientation of near-contact-line water molecules corroborates the physical foundation of the model. Lastly, we propose an approach to discriminate between contact line friction models which overcomes the limitations of experimental resolution. This work constitutes a stepping stone towards demystifying wetting dynamics on high-friction hydrophilic substrates and underlines the relevance of contact line friction in modelling the motion of three-phase contact lines.