Elsevier S & T

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

Granger, Pascal; Pârvulescu, Vasile

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Table of contents
  • Cover
  • Contentsv
  • Prefacevii
  • Chapter 1 Introduction: State of the art in the development of catalytic processes for the selective1
  • 1. INTRODUCTION AND GENERAL ASPECTS1
  • 2. NH3-SCR, STATIONARY SOURCES8
  • 3. NH3-SCR, MOBILES SOURCES14
  • 4. NON-THERMAL PLASMA16
  • 5. NOx STORAGE–REDUCTION CATALYST18
  • 6. CONCLUSIONS20
  • REFERENCES20
  • PART 1. A molecular view of reactions involved over DeNOx catalysts – Mechanisms and kinetics25
  • Chapter 2 DFT modeling and spectroscopic investigations into molecular aspects of DeNOx catalysis27
  • 1. COMPUTATIONAL SPECTROSCOPY AND MOLECULAR MODELING28
  • 2. MODEL SYSTEMS CONTAINING TRANSITION METAL IONS29
  • 3. GENERIC SCENARIO OF deNOx PROCESSES34
  • 4. NATURE OF THE ACTIVE SITES36
  • 5. INTERFACIAL COORDINATION CHEMISTRY OF NITRIC OXIDE37
  • 6. INSIGHTS INTO N−N AND O−O BONDS FORMATION MOLECULAR EVENTS50
  • 7. SUMMARY61
  • ACKNOWLEDGEMENT61
  • REFERENCES61
  • Chapter 3 Surface science studies of the mechanism of NOx conversion: correlations between kinetics67
  • 1. INTRODUCTION67
  • 2. TEMPERATURE-PROGRAMMED DESORPTION STUDIES68
  • 3. MOLECULAR BEAM STUDIES72
  • 4. ISOTHERMAL KINETICS UNDER VACUUM76
  • 5. HIGH PRESSURE CELLS79
  • 6. MODELING OF SUPPORTED CATALYSTS83
  • 7. COMPUTATIONAL SIMULATIONS85
  • 8. SUMMARY AND CONCLUDING REMARKS90
  • ACKNOWLEDGMENTS91
  • REFERENCES92
  • Chapter 4 General features of in situ and operando spectroscopic investigation in the particular cas97
  • 1. INTRODUCTION97
  • 2. THE CHESSBOARD AND THE PIECES: CATALYST AND ADSORBED SPECIES CHARACTERIZATION101
  • 3. WHAT ARE THE PIECES MOTIONS? THE IN SITU INFRARED APPROACH118
  • 4. LET’S PLAY NOW! (THE OPERANDO APPROACH)127
  • 5. CONCLUSIONS134
  • REFERENCES134
  • Chapter 5 A three-function model reaction for designing DeNOx catalysts145
  • 1. INTRODUCTION146
  • 2. GLOBAL PRESENTATION OF THE THREE-FUNCTION MODEL [10–13]147
  • 3. MAIN FEATURES OF EXPERIMENTAL CONDITIONS151
  • 4. EVIDENCE FOR ELEMENTARY STEPS OF FUNCTION 3 ON Co2+/HMOR (CAT III)155
  • 5. FUNCTION 2: ACTIVATION, – MILD OXIDATION –, OF HC (INITIAL REDUCTANT) BY NO2160
  • 6. FUNCTION 1: CATALYTIC OXIDATION OF NO TO NO2164
  • 7. NON-THERMAL PLASMA-ASSISTED CATALYTIC NOx REMEDIATION, FOR SUBSTITUTING FUNCTIONS 1 AND 2 OF THE166
  • 8. CONCLUSION AND METHODOLOGY170
  • ACKNOWLEDGEMENTS172
  • REFERENCES172
  • Chapter 6 Identification of the reaction networks of the NOx storage/reduction in lean NOx trap syst175
  • 1. INTRODUCTION175
  • 2. CATALYST PREPARATION, CHARACTERIZATION AND TESTING PROCEDURES178
  • 3. NOx STORAGE180
  • 4. REDUCTION OF THE STORED NOx SPECIES192
  • 5. CONCLUSIONS205
  • ACKNOWLEDGEMENTS205
  • REFERENCES206
  • PART 2. Novel developments and future trends to ensure continuous restrictive standard regulations209
  • Chapter 7 Current tasks and challenges for exhaust after-treatment research: an industrial viewpoint211
  • 1. DIESEL EUROPEAN STANDARDS REVIEW212
  • 2. DIESEL PARTICLE FILTER MANDATORY IN EUROV – ITS CONSTRAINTS218
  • 3. NOx AFTER-TREATMENT222
  • 4. CONCLUSION232
  • Chapter 8 The role of cerium-based oxides used as oxygen storage materials in DeNOx catalysis235
  • 1. INTRODUCTION235
  • 2. OSC MEASUREMENTS AND OXYGEN MOBILITY236
  • 3. IMPACT OF OSC MATERIALS IN THREE-WAY CATALYSTS243
  • 4. IMPACT OF OSC MATERIALS IN LEAN-BURN AND DIESEL CATALYSIS253
  • REFERENCES257
  • Chapter 9 Aspects of catalyst development for mobile urea-SCR systems – from vanadia-titania catal261
  • 1. INTRODUCTION261
  • 2. GENERATION OF THE REDUCING AGENT AMMONIA FROM UREA262
  • 3. VANADIA-BASED SCR CATALYSTS267
  • 4. ZEOLITE-BASED SCR CATALYSTS278
  • 5. CONCLUSIONS285
  • REFERENCES286
  • Chapter 10 The formation of N2O during NOx conversion: fundamental approach and practical developmen291
  • 1. BACKGROUND AND SCIENTIFIC CONTEXT291
  • 2. GENERAL ASPECTS CONCERNING THE FORMATION AND THE SUBSEQUENT TRANSFORMATION OF N2O DURING THE OVER293
  • 3. NEW DEVELOPMENTS OF NON-NOBLE METAL-BASED CATALYSTS304
  • 4. POTENTIAL APPLICATION OF PEROVSKITES IN THREE-WAY CONDITIONS309
  • 5. HYDROGEN AS POTENTIAL REDUCING AGENT FOR THE SELECTIVE CONVERSION OF NO INTO NITROGEN FOR STATION311
  • 6. CONCLUSION318
  • REFERENCES319
  • Chapter 11 Design of experiments combined with high-throughput experimentation for the optimization325
  • 1. INTRODUCTION325
  • 2. HIGH-THROUGHPUT EXPERIMENTAL SETUP AND DATA ANALYSIS327
  • 3. STATISTICAL DESIGN OF EXPERIMENTS331
  • 4. CATALYST SYNTHESIS AND CHARACTERIZATION337
  • 5. INITIAL SCREENING STUDY337
  • 6. RESPONSE SURFACE STUDY341
  • 7. EXPLORING NEW MATERIALS353
  • REFERENCES355
  • Chapter 12 Plasma-assisted NOx abatement processes: a new promising technology for lean conditions361
  • 1. SEVERAL BASIC ASPECTS OF NON-EQUILIBRIUM PLASMA362
  • 2. NOx REMOVAL BY ELECTRICAL DISCHARGES366
  • 3. REACTION MECHANISMS RESPONSIBLE FOR NOx REMOVAL IN NON-THERMAL PLASMA376
  • 4. NOx REMOVAL BY PLASMA-ASSISTED CATALYSIS383
  • 5. NOx AND SOOT REMOVAL BY PLASMA-ASSISTED CATALYSIS390
  • 6. CONCLUSIONS390
  • REFERENCES391
  • Index397
  • Studies in Surface Science and Catalysis399
Book details
  • Vendor Elsevier S & T
  • SKU 9780444530585
  • ISBN-13 9780080554051
  • Author Granger, Pascal; Pârvulescu, Vasile
  • Category Science
  • Subject Physical & Theoretical

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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