Gas adsorption and accumulation on hydrophobic surfaces: Molecular dynamics simulations

doi:10.1088/1674-1056/24/9/096801

Abstract Molecular dynamics simulations show that the gas dissolved in water can be adsorbed at a hydrophobic interface and accumulates thereon. Initially, a water depletion layer appears on the hydrophobic interface. Gas molecules then enter the depletion layer and form a high-density gas-enriched layer. Finally, the gas-enriched layer accumulates to form a nanobubble. The radian of the nanobubble increases with time until equilibrium is reached. The equilibrium state arises through a Brenner-Lohse dynamic equilibrium mechanism, whereby the diffusive outflux is compensated by an influx near the contact line. Additionally, supersaturated gas also accumulates unsteadily in bulk water, since it can diffuse back into the water and is gradually adsorbed by a solid substrate.

Keywords: hydrophobic molecular dynamics nanobubble

Received: 26 December 2014
Revised: 19 May 2015
Accepted manuscript online:

PACS:	68.03.-g	(Gas-liquid and vacuum-liquid interfaces)
	61.20.Ja	(Computer simulation of liquid structure)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 21376161).

Corresponding Authors: Yang Jie-Ming
E-mail: yangjieming@tyut.edu.cn

Cite this article:

Luo Qing-Qun (骆庆群), Yang Jie-Ming (杨洁明) Gas adsorption and accumulation on hydrophobic surfaces: Molecular dynamics simulations 2015 Chin. Phys. B 24 096801

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Gas adsorption and accumulation on hydrophobic surfaces: Molecular dynamics simulations

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