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由范德华力驱动的液滴铺展:分子动力学研究。

Droplet spreading driven by van der Waals force: a molecular dynamics study.

机构信息

Department of Mathematics, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong.

出版信息

J Phys Condens Matter. 2010 Aug 18;22(32):325101. doi: 10.1088/0953-8984/22/32/325101. Epub 2010 Jul 7.

Abstract

The dynamics of droplet spreading is investigated by molecular dynamics simulations for two immiscible fluids of equal density and viscosity. All the molecular interactions are modeled by truncated Lennard-Jones potentials and a long-range van der Waals force is introduced to act on the wetting fluid. By gradually increasing the coupling constant in the attractive van der Waals interaction between the wetting fluid and the substrate, we observe a transition in the initial stage of spreading. There exists a critical value of the coupling constant, above which the spreading is pioneered by a precursor film. In particular, the dynamically determined critical value quantitatively agrees with that determined by the energy criterion that the spreading coefficient equals zero. The latter separates partial wetting from complete wetting. In the regime of complete wetting, the radius of the spreading droplet varies with time as [Formula: see text], a behavior also found in molecular dynamics simulations where the wetting dynamics is driven by the short-range Lennard-Jones interaction between liquid and solid.

摘要

通过分子动力学模拟研究了两种等密度和粘度的不混溶流体的液滴铺展动力学。所有分子相互作用都通过截断的 Lennard-Jones 势能来建模,并引入长程范德华力作用于润湿流体。通过逐渐增加润湿流体与基底之间的范德华吸引力中的耦合常数,我们观察到在铺展的初始阶段发生了转变。在超过某个临界耦合常数时,铺展由前导膜引发。特别是,通过能量准则确定的动态临界值与确定的零铺展系数的能量准则定量一致。后者将部分润湿与完全润湿分开。在完全润湿的区域,铺展液滴的半径随时间变化符合[公式:见文本],这种行为也在分子动力学模拟中发现,其中润湿动力学由液体和固体之间的短程 Lennard-Jones 相互作用驱动。

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