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表面纳米气泡的稳定性:分子动力学研究。

Stability of Surface Nanobubbles: A Molecular Dynamics Study.

机构信息

Physics of Fluids, Mesa+ Institute, and J. M. Burgers Centre for Fluid Dynamics, University of Twente , P.O. Box 217, 7500 AE Enschede, The Netherlands.

Soft Matter and Interfaces Group, School of Engineering, RMIT University , Melbourne, Victoria 3001, Australia.

出版信息

Langmuir. 2016 Nov 1;32(43):11116-11122. doi: 10.1021/acs.langmuir.6b00963. Epub 2016 Apr 20.

Abstract

The stability and growth or dissolution of a single surface nanobubble on a chemically patterned surface are studied by molecular dynamics simulations of binary mixtures consisting of Lennard-Jones (LJ) particles. Our simulations reveal how pinning of the three-phase contact line on the surface can lead to the stability of the surface nanobubble, provided that the concentration of the dissolved gas is oversaturated. We have performed equilibrium simulations of surface nanobubbles at different gas oversaturation levels ζ > 0. The equilibrium contact angle θ is found to follow the theoretical result of Lohse and Zhang (Phys. Rev. E 2015, 91, 031003(R)), namely, sin θ = ζL/L, where L is the pinned length of the footprint and L = 4γ/P is a capillary length scale, where γ is the surface tension and P is the ambient pressure. For undersaturation ζ < 0 the surface nanobubble dissolves and the dissolution dynamics shows a "stick-jump" behavior of the three-phase contact line.

摘要

通过对由 Lennard-Jones (LJ) 粒子组成的二元混合物的分子动力学模拟,研究了化学图案表面上单表面纳米气泡的稳定性和增长或溶解。我们的模拟揭示了三相接触线在表面上的固定如何导致表面纳米气泡的稳定性,只要溶解气体的浓度过饱和。我们在不同的气体过饱和度水平 ζ > 0 下进行了表面纳米气泡的平衡模拟。发现平衡接触角 θ 遵循 Lohse 和 Zhang(Phys. Rev. E 2015, 91, 031003(R))的理论结果,即 sin θ = ζL/L,其中 L 是固定的足迹长度,L = 4γ/P 是毛细长度尺度,其中 γ 是表面张力,P 是环境压力。对于过饱和度 ζ < 0,表面纳米气泡溶解,溶解动力学显示三相接触线的“粘跳”行为。

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