Past and Present in DeNOx Catalysis: From Molecular Modelling to Chemical Engineering

This book offers an overview of the state of the art in the field of DeNOx catalysis in order to focus novel orientations, new technological developments, from laboratory to industrial scale. A particular attention has been paid towards the implementation of catalytic processes for minimising NOx emissions either from stationary or mobile sources under lean condition to meet future standard regulations of NOx emissions. In the first part of this book, critical aspects reported in the literature which usually make difficult the achievement of efficient catalytic technologies in those conditions are summarised and analysed in order two separate new perspectives. The second part deals with fundamental aspects at molecular level. A better understanding of the reactions involved under unsteady-state conditions is probably a pre-requisite step for improving the performances of the actual processes or developing original ones. The development of powerful in situ spectroscopic techniques is of fundamental interest for kinetic modelling. Correlations between spectroscopic and kinetic data with those obtained from theoretical calculations are reported. Some illustrations emphasise the fact that these comparisons may help in determining the nature of the catalytic active sites and building predictive tools for simulations under running conditions. The latter part of this book will be illustrated by different practical approaches covering various aspects related to the catalysts preparation and the development of alternative technologies which include industrial considerations.

- New technological developments for investigating catalytic reactions in transient conditions (in situ and operando spectroscopic techniques)
- Concerted approaches in DeNOx catalysis
- How academic aspects (kinetic, in situ spectroscopic measurements) can provide useful information for practical applications
- Comparison of different approaches provided by academic and industrial partners

Introduction
PART 1. A molecular view of reactions involved over DeNO_x catalysts – Mechanisms and kinetics
DFT modeling and spectroscopic investigations into molecular aspects of deNO_x Catalysis (P. Pietrzyk and Z. Sojka)
Surface science studies of the mechanisms of NO_x conversion : Correlations between kinetics in vacuum and under catalytic conditions (F. Zaera)
General features of In situ and operando spectroscopic investigation in the particular case of DeNO_x reactions (P. Bazin, O. Marie and M. Daturi)
A three-function model reaction for designing DeNO_x catalysts (G. Dgega-Mariadassou, M. Berger, O. Gorce, J.W. Park, H. Pernot, C. Potvin, C. Thomas and P. Da Costa)
Identification of the reaction network of the NO_x storage/reduction in Lean NO_x Trap systems (P. Forzatti, L. Castoldi, L. Lietti, I. Nova and E. Tronconi)
PART 2. Novel developments and future trends to ensure continuous restrictive standard regulations
Current tasks and challenges for exhaust after treatment research – An industrial viewpoint point (J.-M. Trichard)
The Role of Cerium-based Oxides used as Oxygen Storage Materials in DeNO_x Catalysis (X. Courtois, N. Bion, P. Marecot and D. Duprez)
Aspects of catalyst development for mobile urea-SCR systems – from vanadia-titania systems to metal exchanged zeolites (O. Kröcher)
The formation of N₂O during NO_x conversion : Fundamental approach and practical developments of catalytic systems (P. Granger, J.P. Dacquin, F. Dhainaut and C. Dujardin)
Design of experiments combined with high-throughput experimentation for the optimization of deNO_x catalysts (R. Vijay and J. Lauterbach)
Plasma-assisted NO_x abatement processes: A new promising technology for lean conditions? (M. Mãgureanu and V.I. Pârvulescu)