Acoustic frequency and optimum sonochemical production at single and multi-bubble scales: A modeling answer to the scaling dilemma

The present work consists of an innovative approach aiming to address the scalability dilemma of the sonochemical activity dependency of acoustic frequency. The study originates from the discordance of observations between the theoretical investigations of the sonochemical activity of the single acoustic cavitation bubble in function of the acoustic frequency, in one hand, and the experimental findings regarding the optimal frequency condition, mainly in terms of pollutant degradation, in the other hand. A single bubble and an up-scaled model of the sonochemical activity are suggested and simulations were conducted based on both of them over the frequencies 20, 200, 300, 360, 443, 500, 600 and 800 kHz under an oxygen atmosphere. The results reveal that the sonochemical production at single bubble scale is monotonously decreasing with the increase of frequency, while all the products demonstrate an absolute optimum of sonochemical production at 200 kHz, except HO(•) that attains its maximum molar yield under 300 kHz. Besides, the production of the predominant species, namely HO(2)(•), HO(•) and O(3), manifests a clear rebound at 500 kHz. All the present results were compared to and confirmed by experimental findings, while the scalability of the concentrations of sonochemically produced species was discussed using a parameter we introduced as “the mass focusing factor”.