Theoretical study on the stability of nanobubbles and its verification in molecular dynamics simulation--颗粒学报PARTICUOLOGY

Mi, S., Hou, C., & Ge, W. (2024). Theoretical study on the stability of nanobubbles and its verification in molecular dynamics simulation. Particuology, 87, 99-105. https://doi.org/10.1016/j.partic.2023.08.001

Theoretical study on the stability of nanobubbles and its verification in molecular dynamics simulation

Sheng Mi ^{a b c}, Chaofeng Hou ^{b c}, Wei Ge ^{b c *}

a School of Chemical Engineering and Technology, Tianjin University, Tianjin, 300072, China
b State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, 100190, China
c School of Chemical Engineering, University of Chinese Academy of Sciences, Beijing, 100049, China

10.1016/j.partic.2023.08.001

Volume 87, April 2024, Pages 99-105

Received 16 June 2023, Revised 27 July 2023, Accepted 1 August 2023, Available online 7 August 2023, Version of Record 29 August 2023.

E-mail: wge@ipe.ac.cn

Highlights

• Stability of vapor nanobubbles in bulk liquid was determined theoretically.

• Critical bubble size was derived and verified in molecular dynamics simulation.

• Vapor bubbles lager than a critical diameter is stable.

• The liquid phase is stretched, producing negative pressure to maintain nanobubbles.

Abstract

The stability of vapor nanobubbles in bulk liquid was investigated theoretically and the critical bubble size was derived from macroscale thermodynamic equations, below which the system destabilizes with sharp drop in pressure. This critical size was quantitatively verified in molecular dynamic simulation using the Lennard-Jones model of argon, where stronger attraction between the molecules at lower density is found to contribute most to the drop of system pressure and, as the Laplace pressure on the curved bubble interface fails to balance the pressure difference across the interface, the bubbles become unstable. The theoretical model could be extended to other systems where reliable equations of state and interfacial tension are available.

Graphical abstract

Keywords

Nanobubble; Stability; Phase diagram; Critical size

文章导读