Modelling of free radicals production in a collapsing gas-vapour bubble

This paper deals with a model linking bubble dynamics under an acoustic pressure field and production of free radicals in the resulting collapses of this bubble. The bubble dynamics model includes interdiffusion of gas and vapour in the bubble as well as evaporation or condensation at the interface, and it assumes uniformity of the internal pressure and perfect gas law for the gas-vapour mixture. At the maximum compression of the bubble, all the reactions of dissociation which can occur are assumed at thermodynamic equilibrium. The local composition (especially in free radicals) in the bubble is then calculated by an algorithm based on free energy minimization using the information concerning the maximum compression provided by the bubble dynamics model resolution. Using this model a comparison of free radicals production has been made for two different driving frequencies (20 kHz and 500 kHz), and at given bubble radius and acoustic pressure, an optimum of liquid bulk temperature has been derived for the production of free radicals very similar to the experimental one concerning oxidation reactions in aqueous phase. (C) 1997 Elsevier Science B.V.