Simplified Kinetic Model for $$\hbox {NH}_3$$-SCR Over Cu-CHA Based on First-Principles Calculations

Abstract Selective catalytic reduction with ammonia as reducing agent ( $$\hbox {NH}_3$$ NH 3 -SCR) is an efficient technology to control {NO}_\mathrm{x}$$ NO x emission during oxygen excess. Catalysts based on Cu-chabazite (Cu-CHA) have shown good performance for -SCR high activity and selectivity at low temperature hydrothermal stability. Here, we explore a first-principles kinetic model analyze in detail which reaction steps that the {N}_2$$ N 2 light-off temperature. Moreover, simplified developed by fitting lumped parameters full model. The describes accuracy using only five steps. present work provides insight into governing mechanism stimulates design of knowledge-based Cu-CHA catalysts -SCR.