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Modeling the thermophoretic impact on nanoparticle production in an enclosed FSP reactor

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DOI: 10.1016/j.jaecs.2023.100169

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Nanomaterials; Aerosol; Zirconia; Mathematical modeling; Nanoparticle deposition; Thermophoresis

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In order to accurately model and simulate the flame spray pyrolysis process, all relevant phenomena must be considered. A combination of computational fluid dynamics (CFD) and a population balance model (PBM) is used to investigate the impact of thermophoresis and other parameters on particle size. The flame spray process is simulated using CFD and a monodisperse solver for a bivariate PBM is implemented to simulate nanoparticle formation and evolution. The model is validated using experimental data and shows accurate results for some cases.
For the accurate modeling and simulation of the flame spray pyrolysis (FSP) process, all the essential phenomena need to be taken into account. A validated model could then be used for process optimization and design with reasonably reduced costs. In that sense, this work uses a combination of computational fluid dynamics (CFD) and a population balance model (PBM) to investigate the influence of thermophoresis and other parameters (related to sintering and turbulent particle diffusion) in the final produced particle size. This work simulates the flame spray using CFD under an Eulerian-Lagrangian framework. Furthermore, a monodisperse solver for a bivariate PBM is implemented into ANSYS Fluent to simulate the formation and evolution of nanoparticles inside the reactor. We investigate the production of zirconium dioxide (ZrO2) nanoparticles and use experimental data from the literature for model validation. The model produces accurate results for some of the investigated cases.

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