Low-dimensional models for real time simulations of monolith reactors with dual washcoat layers

Abstract

We present a novel and accurate procedure with local property dependent internal and external mass transfer coefficient matrices for real time simulations of monolith reactors with dual washcoat layers. Our approach extends the prior work based on the Thiele matrix method for accurately describing the washcoat diffusional effects in single layered systems. It combines the vector form of the multi-scale averaged model with calculation of the local property dependent internal, external and cross-Sherwood number matrices for multi-component systems. We illustrate the usefulness of the reduced order model using the example of a dual-layered model system with first washcoat layer of selective catalytic reduction (SCR) catalyst and second washcoat layer of lean NOx trap (LNT) catalyst. We determine the mesh size independent solutions of the full 1+1D detailed model and compare the same with that obtained with the reduced order model. We show that the proposed method has the same accuracy as the mesh size independent detailed solution while speeding up calculations by about three orders of magnitude for the example studied, and possibly by several more orders of magnitude for real systems with complex and detailed micro-kinetic models to describe the storage and reactions in the catalytic layers.