Three-dimensional analysis of flow-chemical interaction within a single square channel of a lean NOx trap catalyst

A fully 3D unsteady Computational Fluid Dynamics (CFD) approach coupled with heterogeneous reaction chemistry is presented in order to study the behavior of a single square channel as part of a Lean NOxTraps. The reliability of the numerical tool has been validated against literature data considering only active BaO site. Even though the input/output performance of such catalyst has been well known, here the spatial distribution within a single channel is investigated in details. The square channel geometry influences the flow field and the catalyst performance being the flow velocity distribution on the cross section non homogeneous. The mutual interaction between the flow and the active catalyst walls influences the spatial distribution of the volumetric species. Low velocity regions near the square corners and transversal secondary flows are shown in several cross-sections along the streamwise direction at different instants. The results shed light on the three-dimensional characteristic of both the flow field and species distribution within a single square channel of the catalyst with respect to 0-1D approaches.