The impact of methanol mass transport on its conversion for the production of hydrogen and oxygenated reactive species in sono-irradiated aqueous solution

•The methanol mass transport on acoustic bubble sono-activity is computationally analyzed.•The bubble temperature, CH3OH conversion and the molar yield are the controlled parameters.•The methanol mass transport mechanism is operating conditions dependent.•The effect of methanol mass transport decreases with increasing frequency/CH3OH concentration.•The effect of methanol mass transport is amortized with decreasing the acoustic intensity. This study aims principally to assess numerically the impact of methanol mass transport (i.e., evaporation/condensation across the acoustic bubble wall) on the thermodynamics and chemical effects (methanol conversion, hydrogen and oxygenated reactive species production) of acoustic cavitation in sono-irradiated aqueous solution. This effect was revealed at various ultrasound frequencies (from 213 to 1000 kHz) and acoustic intensities (1 and 2 W/cm2) over a range of methanol concentrations (from 0 to 100%, v/v). It was found that the impact of methanol concentration on the expansion and compression ratios, bubble temperature, CH3OH conversion and the molar productions inside the bubble is frequency dependent (either with or without consideration of methanol mass transport), where this effect is more pronounced when the ultrasound frequency is decreased. Alternatively, the decrease in acoustic intensity decreases clearly the effect of methanol mass transport on the bubble sono-activity. When methanol mass transfer is eliminated, the decrease of the bubble temperature, CH3OH conversion and the molar yield of the bubble with the rise of methanol concentration was found to be more amortized as the wave frequency is reduced from 1 MHz to 213 kHz, compared to the case when the mass transport of methanol is taken into account. Our findings indicate clearly the importance of incorporating the evaporation and condensation mechanisms of methanol throughout the numerical simulations of a single bubble dynamics and chemical activity.