In this talk we review our recent work to understand structure-function relationships in the selective catalytic reduction of NOx. Because of the nature of the NOx SCR application, useful materials have to operate over a wide range of conditions. Here we describe our efforts to model the evolution of the zeolite catalysts as they are exchanged, activated, and applied. We show that the nature of the ion exchange is very senstive to the metal type and to the supporting zeolite, that reactant species, in particular NH3, have a profound impact on active site structure at reaction conditions, and that all these factors influence both the performance of the materials and their resistance to deliterious deactivation. We discuss implications of the results beyound the SCR application.

Operando catalysis: Computing the state of a zeolite catalyst at reaction conditions

253rd National Meeting (2017)

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