Chemical Engineering Journal2016166BudmanModeling the transient cyclic operation.pdfVIP

Chemical Engineering Journal 166 2011 607–615 Contents lists available at ScienceDirect Chemical Engineering Journal j o u rn al h ome Modeling the transient cyclic operation of a commercial NSR catalyst J.S. Mandur, M. Al-Harbi, W.S. Epling, H.M. Budman ? Department of Chemical Engineering, University of Waterloo, 200 University Av, Waterloo, ON, Canada N2L3G1 a r t i c l e i n f o a b s t r a c t Article history: A pseudo 1-D model of an industrial NOx storage and reduction NSR catalyst has been developed under Received 17 August 2010 isothermal conditions. The Pt/Ba proximity or the presence of barium in different chemical forms such as Received in revised form 7 November 2010 BaO and BaCO3 can result in a wide range of storage rates. To represent these multiple storage sites, an Accepted 8 November 2010 idealized storage particle with a spherical con?guration is proposed where the outer layer is assumed to represent the sites with the highest storage capacities/rates while subsequently deeper layers represent Keywords: the sites with relatively lower storage capacities. It is further assumed that the NOx species ?rst react NOx storage with the particles in the outer layer, followed by the particles in subsequent deeper layers. To model the NOx reduction Steady cyclic operation progressively decreasing storage rates, a shrinking core approach is used with a diffusivity coef?cient, Transient cyclic operation decreasing nonlinearly along the particle depth. The degree of nonlinearity depends on the complexity Mathematical model of the catalyst and therefore, depending on the catalyst, being studied, one can calibrate this function instead of quantifying different types of storage sites. During cyclic operation starting with a completely regenerated catalyst, model predictions for the NOx concentration pro?les are in a good agreement with the experimental data during both the transient and steady cycle-to-cycle regimes. It is