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Stability of Surface Nanobubbles: A Molecular Dynamics Study.

TLDR
Equilibrium simulations of surface nanobubbles at different gas oversaturation levels ζ > 0 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.
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 θe is found to follow the theoretical result of Lohse and Zhang (Phys. Rev. E 2015, 91, 031003(R)), namely, sin θe = ζL/Lc, where L is the pinned length of the footprint and Lc = 4γ/P0 is a capillary length scale, where γ is the surface tension and P0 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.

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Physicochemical hydrodynamics of droplets out of equilibrium

TL;DR: In this article, the authors discuss examples of physicochemical hydrodynamics of droplet systems far from equilibrium and the relevance of such systems for applications, and their relevance for many important applications.
Journal ArticleDOI

Role of molecular simulation in understanding the mechanism of low-rank coal flotation: A review

TL;DR: In this article, the basic theory of molecular simulation is reviewed, and the recent advances in the molecular structure of low-rank coal are discussed comprehensively from the viewpoint of molecular simulations.
Journal ArticleDOI

Surface Forces and Interaction Mechanisms of Emulsion Drops and Gas Bubbles in Complex Fluids.

TL;DR: A long-range hydrophilic attraction was found between water and polyelectrolyte surfaces in oil, with the strongest attraction for polyzwitterions, contributing to their superior water wettability in oil and self-cleaning capability of oil contamination.
Journal ArticleDOI

Ultrahigh Density of Gas Molecules Confined in Surface Nanobubbles in Ambient Water

TL;DR: Synchrotron-based scanning transmission X-ray microscopy evidences of highly condensed oxygen gas molecules trapped as surface nanobubbles reveal that the oxygen density inside was 1-2 orders of magnitude higher than atmospheric air.
Journal ArticleDOI

Application of Berendsen barostat in dissipative particle dynamics for nonequilibrium dynamic simulation.

TL;DR: It is shown that the partial Berendsen barostat is suitable for the modeling of nonequilibrium process of single or few droplets/bubbles in multi-component systems.
References
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Journal ArticleDOI

GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation

TL;DR: A new implementation of the molecular simulation toolkit GROMACS is presented which now both achieves extremely high performance on single processors from algorithmic optimizations and hand-coded routines and simultaneously scales very well on parallel machines.
Journal ArticleDOI

Understanding Molecular Simulation

Daan Frenkel, +1 more
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Catalytic Nanomotors: Autonomous Movement of Striped Nanorods

TL;DR: By solving the convection-diffusion equation in the frame of the moving rod, it was found that the interfacial tension force scales approximately as SR(2)gamma/muDL, where S is the area-normalized oxygen evolution rate, gamma is the liquid-vapor interfacial pressure, R is the rod radius, mu is the viscosity, D is the diffusion coefficient of oxygen, and L is the length of the rod.
Journal ArticleDOI

On the stability of gas bubbles in liquid-gas solutions

TL;DR: In this article, approximate solutions for the rate of solution by diffusion of a gas bubble in an undersaturated liquid-gas solution are presented, with the neglect of the translational motion of the bubble.
Journal ArticleDOI

Evaporative deposition patterns: spatial dimensions of the deposit.

TL;DR: It is shown that the observed dependence of the deposit dimensions on the experimental parameters can indeed be attributed to the finite dimensions of the solute particles.
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