Modeling Chemistry in Lean NOx Traps Under Reducing Conditions

A set of elementary surface reactions is proposed for modeling the chemistry in a lean NOx trap during regeneration (reduction of stored NOx). The proposed reaction mechanism can account for the observed product distribution from the trap over a range of temperatures and inlet gas compositions similar to those expected for realistic operation. The mechanism includes many reactions already discussed in the literature, together with some hypothesized reactions that are required to match observations from temperature programmed reactor experiments with a commercial lean NOx trap catalyst. Preliminary results indicate that the NOx trap regeneration and byproduct formation rates can be effectively captured by using a relatively compact set of elementary reactions.