Abstract
Micro-nanobubbles (MNBs) technology has emerged as an effective means of sewage treatment, while the molecular mechanism for its pollutant degradation is still unknown. In this paper, the reactive molecular dynamics simulation technique is used to study the degradation mechanism of pollutants caused by shock-induced nanobubble collapse. We first demonstrate that the propagating shock wave can induce nanobubble collapse, and the collapsing nanobubble has the ability to focus mechanical energy via the converging motion of liquid in the interior of the bubble, leading to the formation of a high-speed jet with a much higher energy density. We also unveil the mechanical nature of long-chain pollutant degradation and the mechanism of free radical generation. Due to the impacting jet, the high-gradient flow has the ability to stretch the long-chain molecule and cause mechanical scission of the molecule in a homolytic manner. Finally, our simulation results reveal that adding ozone molecules to the collapsing bubble would introduce an additional dehydrogenation mechanism.