463308 Multi-Scale Multi-Phase Reduced Order Models for Dual-Layered Catalytic Monolith Reactors

Sunday, November 13, 2016: 3:30 PM
Franciscan D (Hilton San Francisco Union Square)
Ram R. Ratnakar, Shell International Exploration and Production Inc., Houston, TX and Vemuri Balakotaiah, Department of Chemical and Biomolecular Engineering, University of Houston, Houston, TX

We use individual phase averaging based on Lyapunov-Schmidt reduction to obtain reduced order model for describing the transient non-isothermal diffusion, convection and reaction processes in a catalytic monolith with two porous washcoat layers. We average the model over the small transverse scales and express the reduced order model in terms of physically meaningful or measurable concentration/temperature modes. We examine various limiting cases, present the solutions of the reduced order model and compare our results with the exact solution and those in the literature. Specifically, we consider the limiting case of short monolith model with flat velocity profile and compare the analytical solutions obtained from the detailed model, reduced order model and traditional multiphase phase model; and show that the reduced order model represents the detailed model more accurately while the traditional models fail to capture the effect of transverse diffusion and reactions on interfacial fluxes. Finally we compare the numerical solutions of detailed and reduced order models for general case to show that the later leads to the good results with reasonable accuracies even for the fast transient and reacting cases.

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See more of this Session: Multiscale Modeling
See more of this Group/Topical: Catalysis and Reaction Engineering Division