Abstract

Population balance and computational fluid dynamics models are built and integrated to carry out a simulation study of the reactive crystallisation process in a confined jet mixer (CJM) for the continuous flow synthesis of TiO2 nanoparticles at a supercritical water condition. In the population balance model, the crystal growth in size is modelled as being due to combined nanocrystal aggregation as well as surface growth. A free molecular model is used to predict the particle aggregation. The performance of the combined aggregation and surface growth models is compared with models that only consider surface growth as the only mechanism for particle size enlargement. It was found that the combined model gives a more accurate prediction of particle size distribution.

Highlights

  • Confined Jet Mixer for HydrothermalContinuous hydrothermal flow synthesis (CHFS) of nanoparticles below 100 nm in size has shown numerous advantages [1,2,3,4,5]

  • The mixing and heat transfer are clearly critical inside the CHFS reactor, i.e., the impinging jet mixer, and these factors have received a great deal of attention from researchers, who have applied computational fluid dynamics (CFD) simulation in their studies on the CHFS process

  • Accurate CFD simulation should take into consideration the reactive crystallisation process by incorporating population balance models (PBM)

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Summary

Introduction

Continuous hydrothermal flow synthesis (CHFS) of nanoparticles below 100 nm in size has shown numerous advantages [1,2,3,4,5]. It is considered as a green technology as it uses water as a reagent rather than organic solvents. The mixing and heat transfer are clearly critical inside the CHFS reactor, i.e., the impinging jet mixer, and these factors have received a great deal of attention from researchers, who have applied computational fluid dynamics (CFD) simulation in their studies on the CHFS process. Chen et al [8]

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