CONVERGE CFD Software

Event

Webinar

Flame Spray Pyrolysis for Generating Battery Materials at Scale

December 3, 2020 5:00 AM – 6:00 AM CST

Presented by:

Debolina Dasgupta, Postdoctoral Appointee
Argonne National Laboratory

Nanostructured materials have a wide array of potential applications, including materials science, catalysis, and energetics. Flame spray pyrolysis (FSP) is a versatile, cost-effective, and scalable method for large-scale production of single- and multi-component oxide nanoparticles, such as SiO2, TiO2, FeO, and Al2O3, from relatively cheap precursors. The final particle size and morphology are tied to the flame temperature, the residence time of the particles in the flame, the precursor concentration, dispersion gas flow rate, and the flow field within the reactor. However, the nature of the interaction between the complex fluid dynamics, chemistry, and mechanisms of nanoparticle formation is unknown.

This webinar presents a study in which CONVERGE is used to perform CFD simulations of the FSP burner at Argonne National Laboratory to investigate the physics controlling the nanoparticle synthesis. Detailed volume of fluid (VOF) simulations are conducted to understand the spray atomization and to provide a droplet size distribution, which is used to initiate the Lagrangian spray in subsequent Reynolds-Averaged Navier-Stokes (RANS) simulations. The 3D RANS simulations are performed using CONVERGE’s SAGE combustion model, RNG k-ε turbulence model, and TAB spray breakup model. In addition, the method of moments used in particle mimic (PM), originally implemented for soot modeling, is employed via custom executables to describe the nanoparticle formation. The simulation results are validated against experimental data from the Materials Engineering Research Facility at Argonne.

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