Modeling of the desulfation process in NOx storage and reduction catalysts

Abstract

One of the major challenges for the NOx Storage and Reduction Catalysts technology used in automotive exhaust remains the sulfur susceptibility, which calls for efficient desulfation strategies. The sulfation and desulfation processes are systematically studied via measurements and mathematical modeling of the physicochemical processes. The role of oxygen storage which influences the reducing agents availability for desulfation is explained and a respective reaction model is presented. The bulk oxygen storage component appears to be involved in sulfur storage, which further emphasizes the importance of oxygen–sulfur storage interactions. Next, the observed release of sulfur species under lean mode is discussed along with a proposed reaction mechanism which involves SO2 formation via O2 reaction with elemental sulfur on the surface. The parameters of the complex reaction model are calibrated in order to reproduce the observed trends at least in a qualitative manner. © 2016 American Institute of Chemical Engineers AIChE J, 63: 2117–2127, 2017