Low‐dimensional models for real time simulations of catalytic monoliths

Abstract

AbstractWe present accurate low‐dimensional models for real time simulation, control, and optimization of monolithic catalytic converters used in automobile exhaust treatment. These are derived directly by averaging the governing equations and using the concepts of internal and external mass transfer coefficients. They are expressed in terms of three concentration and two temperature modes and include washcoat diffusional effects without using the concept of the effectiveness factor. The models reduce to the classical two‐phase models in the limit of vanishingly thin washcoat. The models are validated by simulating the transient behavior of a three‐way converter for various cases and comparing the predictions with detailed solutions. It is shown that these new models are robust and accurate with practically acceptable error, speed up the computations by orders of magnitude, and can be used with confidence for the real time simulation and control of monolithic and other catalytic reactors. © 2009 American Institute of Chemical Engineers AIChE J, 2009