(512e) Modeling Particle Atomic Layer Deposition in a Fluidized Bed with CFD-DEM
AIChE Annual Meeting
Wednesday, November 10, 2021 - 3:30pm to 5:00pm
A reactor simulation based on computational fluid dynamics and discrete element method (CFD-DEM) is implemented using open-source multiphase flow modeling software MFiX. A well-characterized glass bead substrate is used to validate model predictions. The packed bed pressure drop and minimum fluidization velocity predicted by the model show good agreement with the experimental fluidization curve. Self-limited ALD reaction kinetics are implemented in the model using a first-order, irreversible Langmuir rate expression. The model can be used to predict the transient gas composition exiting the reactor and inform operating conditions to optimize precursor utilization and coating uniformity. Future work will include measurement of first-order reaction rate parameters for different particle substrates and ALD precursors, and comparison of modeling outputs to an experimental fluidized bed reactor.