Computer simulation of chemical reactions occurring in collapsing acoustical bubble
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Date
2013
Journal Title
Journal ISSN
Volume Title
Publisher
Springer
Abstract
Acoustic cavitation is responsible for both sonochemistry and sonoluminescence.
In this theoretical investigation, computer simulation of chemical
reactions occurring in an isolated cavitation bubble oscillating in water irradiated by
an ultrasonic wave has been performed for various acoustic amplitudes, different
static pressures and diverse liquid temperatures to study the relationship between
these three key parameters in sonochemistry and the oxidants created in the bubble.
The results of the numerical simulations indicated that the main oxidants created in
an O2 bubble are •OH radical and O atom. The amount of the oxidants formed in the
bubble at the end of the bubble collapse increases as the acoustic amplitude
increases from 1.5 to 3 atm. For each acoustic amplitude, there exists an optimal
static pressure for the production of the oxidants, which shifts toward a higher value
as the acoustic amplitude increases. Correspondingly, for each acoustic amplitude,
an optimum of liquid temperature was observed at 20 C for •OH, HO2
• and H2O2.
The simple model adopted in this work, after comparisons with the trends obtained
with the literature experimental observations, seems to satisfactorily explain the
experimental observations and should practically aid in optimization of operating
conditions for sonochemical reactions. Results from this study were discussed and
some recommendations were given
Description
Keywords
Sonochemistry, Computer simulation, Chemical reactions, Acoustic amplitude, Static pressure, Liquid temperature