An integrated numerical modelling framework for simulation of the multiphysics in sonoprocessing of materials

Abstract

We have designed, developed, and integrated a comprehensive mathematical and numerical modelling framework for simulations of the complex physics and highly dynamic phenomena that occur across different length and time scales in the processes of sonochemistry and sonication of materials. The framework comprises three interconnected sub-models: (1) a bubble oscillation and implosion model, (2) a shock wave emission and propagation model, and (3) a wave–structure interaction (WSI) model. Firstly, we described in detail the governing equations, numerical schemes, boundary and initial conditions used in each sub-model with a particular emphasis on the data mapping methods for numerically linking the three sub-models together. Then, we present a number of simulation cases to demonstrate the power and usefulness of the model. We also did systematic model validation and calibration using the in-situ and real-time collected big X-ray image data. This is the first time such comprehensive and high-fidelity numerical models have been achieved for sonoprocessing of materials. Complementary to the most advanced in-situ and operando experiments, the integrated model is an indispensable modelling tool for computational studies and optimizations of the ultrasound-assisted chemical synthesis and sonoprocessing of materials.