| Contributors |
| Preface |
| Magnetic Resonance Imaging of Catalysts and Catalytic Processes / L. F. Gladden ; M. D. Mantle ; A. J. Sederman |
| Introduction / I： |
| Introduction to MRI Techniques / II： |
| Principles of MR Measurements / A： |
| Obtaining an Image / 1： |
| Nuclear Spin Relaxation Times / 2： |
| The k-Space Raster / 3： |
| Measurement of Diffusion, Dispersion, and Flow / B： |
| Phase-Encoding Methods |
| Time-of-Flight Methods |
| Rapid Image Acquisition |
| Contrast Mechanisms / C： |
| Obtaining Chemical Information |
| Relaxation and Transport Contrast |
| Temperature / D： |
| Recent Developments / E： |
| Gas-Phase MR |
| Fast Data Acquisition |
| Imaging Individual Catalyst Pellets / III： |
| Structure-Transport Relationships |
| Catalyst Preparation |
| Liquid Redistribution During Reaction |
| Coke Deposition |
| Hydrodynamics in Reactors / IV： |
| Single-Phase Flow |
| High Spatial Resolution of Fluid Flow in Fixed-Bed Reactors |
| Imaging Unsteady-State Flows in Fixed-Bed Reactors |
| Two-Phase Flow in Fixed-Bed Reactors |
| Holdup and Wetting in Trickle Flow |
| The Trickle Flow to Pulse Flow Transition |
| Two-Phase Flow in Ceramic Monoliths |
| Fluidized Beds |
| Imaging of Reactions In Situ / V： |
| Single-Phase Reactions in Fixed Beds |
| An Esterification Reaction |
| Probing Selectivity with [superscript 13]C Imaging |
| Two-Phase Flow and Reaction in Fixed Beds |
| Future Directions / VI： |
| Acknowledgment |
| References |
| Atomic-Scale Imaging of Supported Metal Nanocluster Catalysts in the Working State / P. L. Hansen ; S. Helveg ; A. K. Datye |
| Transmission Electron Microscopy (Limitations of Conventional TEM in the Characterization of Catalysts) |
| Approaches to Characterization of Catalysts in Reactive Atmospheres |
| Differentially Pumped TEM Instruments |
| Thin-Window Cells |
| Examples of HRTEM Characterization of Catalysts in Reactive Atmospheres |
| The Complex Nanostructure of an Ammonia Synthesis Catalyst |
| Gas-Induced Shape Changes in Cu/ZnO-Containing Methanol Synthesis Catalysts |
| Atomic-scale Monitoring of Carbon Nanofiber Growth in Steam Reforming Catalysts |
| Outlook |
| Acknowledgments |
| Model Catalyst Surfaces Investigated by Scanning Tunneling Microscopy / J.V. Lauritsen ; F. Besenbacher |
| Scanning Tunneling Microscopy |
| STM Design Considerations |
| Theory of the STM |
| Tersoff-Hamann STM Theory |
| Simulation of STM Images |
| New Au/Ni Surface Alloy Catalyst for Steam Reforming |
| Designing New Nickel Catalysts by Step Blocking |
| Investigations of an HDS Model Catalyst with STM |
| Hydrotreating Catalyst Structure and Reactivity |
| HDS Model Catalyst |
| HDS Model Catalyst: MoS[subscript 2] Nanoclusters Supported on Au (111) |
| Preparation of MoS[subscript 2] Nanoclusters |
| Atomic-Scale Structure of MoS[subscript 2] Nanoclusters |
| Fundamental Characterization |
| Morphology and Edge Structure |
| The Chemistry of Single-Layer MoS[subscript 2] Nanoclusters |
| Thiophene on Fully Sulfided MoS[subscript 2] Nanoclusters |
| Reactions of Hydrogen-Activated MoS[subscript 2] Nanoclusters |
| Reaction of Thiophene on Hydrogen-Activated MoS[subscript 2] Nanoclusters |
| Energetics and Reaction Pathways: Metallic Edge States as Active Sites / 4： |
| Atomic-Scale Structure of the Cobalt-Promoted Catalyst / 5： |
| Metallic Brim States as Active Sites in Hydrotreating Catalysts / 6： |
| Toward more Realistic Model Systems and Imaging of Surfaces during Reaction |
| Time-Resolved STM Investigations |
| Imaging of Surfaces during Reaction |
| Atomic Force Microscopy of Insulating Materials |
| Synopsis and Perspective / VII： |
| Characterization of Solid Catalysts in the Functioning State by Nuclear Magnetic Resonance Spectroscopy / M. Hunger ; W. Wang |
| Principles of Solid-State NMR Spectroscopy |
| Solid-State Interactions of Nuclear Spins |
| Solid-State NMR Techniques |
| Techniques for Signal Enhancement and Discrimination in Solid-State NMR Spectroscopy |
| Solid-State NMR Spectroscopy at Elevated Temperatures |
| Effect of Temperature on Signal-to-Noise Ratio |
| Temperature Calibration |
| Experimental Techniques for MAS NMR Spectroscopy of Working Catalysts |
| Batch Conditions |
| Flow Conditions |
| Limitations and Advantages of Solid-State NMR Spectroscopy for Investigations of Working Catalysts |
| General Aspects |
| Comparison of Batch and Flow Techniques |
| Study of Transition States of Acid-Catalyzed Reactions |
| Indirect Experimental Evidence of Reactive Carbenium Ions |
| Formation of Surface Alkoxy Species with Carbenium-Ion-Like Properties |
| Evidence for the Existence of Carbenium Ions by Trapping Experiments |
| Isotope Scrambling |
| Persistent Carbenium Ions in Zeolites Characterized by NMR Spectroscopy |
| Keto-Enol Isomerization on Acidic Zeolite HZSM-5 Evidenced by H/D Exchange |
| Activation of Saturated Hydrocarbons on Solid Catalysts |
| Catalytic Transformation of Methane into Aromatics Under Non-Oxidative Conditions |
| Activation and Aromatization of Propane on Solid Acid Catalysts |
| Photocatalytic Reactions on Solid Catalysts |
| Photocatalytic Conversion of Chlorine-Containing Organic Compounds on Titanium Oxide |
| Photocatalytic Conversion of Oxygenates on Titanium Oxide |
| Investigations of Chemical Behavior and Local Structure of Surface Sites in Zeolites and Microporous Silicoaluminophosphates |
| Chemical Behavior and Local Structure of Surface Sites in Zeolites |
| Chemical Behavior and Local Structure of Surface Sites in Microporous Silicoaluminophosphates |
| Synthesis of MTBE on Acidic Zeolites / VIII： |
| Reversible Conversion of MTBE on Boron-Modified Pentasil under Batch Conditions |
| MTBE Synthesis on Zeolite H-Beta Under CF Conditions |
| Alkylation of Aromatic Compounds on Acidic and Basic Zeolites / IX： |
| Alkylation of Toluene |
| Alkylation of Aniline |
| Alkylation of Aniline on Basic Zeolite CsOH/Cs,NaY |
| Alkylation of Aniline on Acidic Zeolite HY |
| Synthesis and Immobilization of Quarternary Ammonium Ions in Zeolites |
| MTHC Conversion on Acidic Zeolites / X： |
| Reactivity of Surface Methoxy Species |
| Formation of Surface Methoxy Species during the Conversion of Methanol to DME on Acidic Zeolites |
| Preparation of Methoxy Species on Acidic Zeolites by the SF Technique |
| Role of Surface Methoxy Species in the Formation of DME |
| Formation of Higher Hydrocarbons by Surface Methoxy Species |
| Investigation of the MTO Process Under Steady-State Conditions |
| Characterization of the Hydrocarbon Pool |
| Simultaneous Characterization of the Formation of Hydrocarbon Pool Compounds on Acidic Zeolites by MAS NMR-UV/Vis Spectroscopy |
| Conclusions and Outlook / XI： |
| Attenuated Total Reflection Infrared Spectroscopy of Solid Catalysts Functioning in the Presence of Liquid-Phase Reactants / T. Burgi ; A. Baiker |
| Fundamentals of ATR Spectroscopy |
| Evanescent Field, Penetration Depth, and Effective Thickness |
| Electric Field Components in Bulk Rare (Optically Thin) Medium |
| Simulation of Spectra of Stratified Media |
| ATR Spectroscopy for In situ Investigations in Catalysis |
| Thin Metal Films |
| Powder Catalysts |
| Cell Design |
| On-Line Process Control and Reaction Monitoring |
| Flow-Through Cell |
| High-Pressure View Cell |
| Potential and Limitations |
| Specialized Techniques |
| Modulation Excitation Spectroscopy |
| Time-Resolved Spectroscopy |
| Single-Beam Signal Reference |
| Combination with Other Techniques |
| Selected Applications |
| Elucidation of Adsorption Mode and Interaction of Co-adsorbed Species |
| Investigation of Phase Behavior in Multiphase Heterogeneous Catalytic Reaction |
| Investigation of Complex Reaction Network Occurring at Catalytic Solid-Liquid Interface |
| Catalyst Deactivation |
| Other Methods for IR Spectroscopy of Catalytic Solid-Liquid Interfaces |
| Conclusions |
| Index |
| Dynamics of Reactions at Surfaces |
| Theoretical Surface |
| Science and Catalysis - Calculations and Concepts |
| Studies of Catalytic Reactions |
| Adsorption Energetics and Bonding from Femtomole Calorimetry and from First Principles Theory |
| Active Sites on Oxies: From Single Crystals to Catalysts |
| Catalysis and Surface Science: What do we learn from studies of oxide-supported cluster model systems |
| Sum Frequency Generation |
| Surface Vibrational Spectroscopy |
| Studies of Catalytica Reactions on Metal |
| Single-Crystal Surfaces |
| The Molecular Basis of Zeolite Catalysis: A Review of Theoretical Simulations / S.P. Bates ; R.A. van Santen |
| NMR Studies of Solid Acidity / J.F. Haw ; T. Xu |
| The Vibrational Spectra of Hydrocarbons Adsorbed on Metals Part II--Adsorbed Acyclic Alkynes, Alkanes, and Cyclic Hydrocarbons Including Aromatics; Surface Hydrocarbon Groups Derived from the Decomposition of Alkyl Halides, etc / N. Sheppard ; C. De La Cruz |
| Application of Combined X-ray Diffraction and Adsorption Techniques for In situ Catalyst Characterization / C.S. Clausen ; H. Topsoe ; R. Frahm |
| Present State of the Art and Future Challenges in the Hydrodesulfurization of PolyaromaticSulfur Compounds / D.D. Whitehurst ; T. Isoda ; I. Mochida |
| Multiphase Homogeneous Catalysis / B. Driben-Holscher |
| Subject Index |
| NMR Spectroscopy as a Probe of Surfaces of Supported Metal Catalysis / J.J. Van Der Klink |
| Applications of Photoluminescence Techniques to the Characterization of Solid Surfaces in Relation to Adsorption, Catalysis, and Photocatalysis / M. Anpo ; M. Che |
| The Surface Science Approach Toward Understainding Automotive Exhause Conversion Catalysis at the Atomic Level / B.E. Nieuwenhuys |
| Experiments and Processes in the Transient Regime for Heterogeneous Catalysis / C.O. Bennett |
| Influence of Phosphorus on the Properties of ALumina-Based Hydrotreating Catalysts / R. Iwamoto ; J. Grimblot |
| Skeletal Isomerization of n-Butenes Catalyzed by Medium Pore Zeolites and Aluminophosphates / P. Meriaudeau ; C. Naccache |
| Applications of Photoluminescence Spectroscopy to the Investigation of Oxide-Containing Catalysts in the Working State / Masakazu Anpo ; Stainslaw Dzwigaj ; Michel Che |
| Characterization of Catalytically Active Sites by PL Spectroscopy |
| Characterization of Acidic and Basic Sites by Means of Probe Molecules and Photoluminescence Spectroscopy |
| Photoluminescence Investigations of Photocatalytic Process Involving Bulk Semiconductor TiO2-Containing Photocatalysts |
| Effect of Pressure on Photoluminescence Spectra |
| Effect of Temperature on Photoluminescence Spectra |
| Use of Photoluminescence Spectroscopy in High-Throughout Experiments / 7： |
| Structural Characterization of Operating Catalysts by Raman Spectroscopy / Miguel A. Bañares ; Gerhard Mestl8： |
| Advanced Raman Spectroscopy for Characterization of Samples in Reactive Environments |
| Raman Scattering |
| Raman Investigations of Catalysts Under Controlled Environments |
| Perspective and Conclusions |
| Ultraviolet-Visible-Near Infrared Spectroscopy in Catalysis: Theory, Experiment, Analysis, and Application Under Reaction Conditions / Friederike C. Jentoft |
| Theoretical Background |
| Experimental: Optical Accessories for UV-vis-NIR Spectroscopy in Transmission Mode |
| Experimental: Optical Accessories for UV-vis-NIR Spectroscopy in Reflection Mode |
| Cells for Measurements in Controlled Environments |
| Data Acquisition and Analysis |
| Examples |
| X-Ray Photoelectron Spectroscopy for Investigation of Heterogeneous Catalytic Processes / Axel Knop-Gericke ; Evgueni Kleimenov ; Michael Havecker ; Raoul Blume ; Detre Teschner ; Spiros Zafeiratos ; Robert Schlogl ; Valerii I. Bukhtiyarov ; Vasily V. Kaichev ; Igor P. Prosvirin ; Alexander I. Nizovskii ; Hendrik Bluhm ; Alexei Barinov ; Pavel Dudin ; Maya Kiskinova |
| History of XPS Applied at Substantial Pressures |
| Description of XPS Apparatus |
| Interaction of CO with Pd(111) |
| Dehydrogenation and Oxidation of Methanol on Pd(111) |
| Ethene Epoxidation Catalyzed by Silver |
| Methanol Oxidation Catalyzed by Copper |
| CO Oxidation Catalyzed by Ru(0001) |
| X-ray Diffraction: A Basic Tool for Characterization of Solid Catalysts in the Working State / Robert Schlögl9： |
| Objectives of XRD in Catalyst Characterization |
| Static Versus Dynamic Analysis |
| Observations of Catalysts in Reactive Atmospheres |
| Cost of Powder Diffraction Under Catalytic Conditions |
| Aim and Scope of Powder Diffraction Experiments |
| Scattering Phenomena |
| Nanostructures and Diffraction |
| Phases in Working Catalysts |
| Applications of XRD to Working Catalysts / 10： |
| Combination of XRD Data with Auxiliary Information / 11： |
| Instrumentation / 12： |
| Case Studies / 13： |
| Summary and Conclusions / 14： |
| Characterization of Catalysts in Reactives Atmospheres by X-ray Absorption Spectroscopy / Simon R. Bare ; Thorsten Ressler |
| Importance of XAFS Spectroscopy to Catalyst Characterization in Reactive Atmospheres |
| Catalytic Reactors that Serve as Cells |
| XAFS Spectroscopy of Samples in Reactive Atmospheres Under Static Conditions |
| XAFS Spectra Measured Under Dynamic Conditions |
| Look to the Future |
| Concluding Remarks |
| Catalytic Methanol Carbonylation / Anthony Haynes |
| Rhodium-Complex-Catalyzed Carbonylation |
| Iridium-Complex-Catalyzed Carbonylation |
| Computational Investigations |
| Alternative Approaches |
| Microstructured Catalytic Reactors / Albert Renken ; Lioubov Kiwi-Minsker |
| General Criteria for the Choice and Design of MSRs |
| Design of MSRs for Catalytic Reactions with Gas-Phase Reactants |
| Design of MSRs for Multiphase Reactions |
| Preparation of Catalytically Active Surface Layers in MSRs |
| A Review of the Phillips Supported Chromium Catalyst and Its Commercial Use for Ethylene Polymerization / Max P. McDaniel |
| Commercial Polyethylene |
| Dispersion and Stabilization of Cr(VI) |
| Reduced Cr/Silica |
| Polymer Formation |
| Site Diversity, Influence of the Carrier |
| Copolymerization of ?-Olefins |
| Catalyst Carrier Structure |
| Chain Architecture (Long-Chain Branching) |
| Melt Elasticity and Catalyst Structure |
| Cr/Silica-Titania Catalysts |
| Specialized Activation Treatments |
| Other Promoters for Cr/Silica |
| Chromium Oxide on Alumina |
| Chromium Oxide on Aluminophosphates / 15： |
| Organochromium Catalysts / 16： |
| Cocatalysts / 17： |
| In Situ Branching / 18： |
| Polyethylene Manufacture / 19： |
| Commercial Activation of Cr/Silica / 20： |
| Concluding Remarks on the Polyethylene Industry / 21： |
| Designing Molecular Catalysts with Enhanced Lewis Acidity / Swadhin K. Mandal ; Herbert W. Roesky |
| Conceptual Background: Generating a More Lewis Acidic Catalytic Center |
| Attachment of the Oxygen Center Around the Active Metal: Development of Molecular Catalysts Based on the MùOùM1 Motif |
| Organometallic Fluorides of Group-4 Metals as Efficient Catalysts for Polymerization |
| Modern Strategies in Supramolecular Catalysis / Pablo Ballester ; Anton Vidal-Ferran ; Piet W. N. M. van Leeuwen |
| Supramolecular Assemblies as Models of Specific Enzyme Functions |
| Synthesis Strategies for Supramolecular Catalysts |
| Immobilization of Catalysts on Solid Supports Via Supramolecular Interactions |
| Mechanistic Issues in Fischer-Tropsch Catalysis / R. A. van Santen ; I. M. Ciobica ; E. van Steen ; M. M. Ghouri |
| Microkinetics Expressions |
| Physical Chemistry of Elementary Surface Reaction Steps |
| The Chemistry of the Chain-Growth Reaction Via "Q" Species |
| Summary of Discussion of Fischer-Tropsch Mechanism |
| Vanadium Phosphate Materials as Selective Oxidation Catalysts / N. F. Dummer ; J. K. Bartley ; G. J. Hutchings |
| Mechanism of n-Butane Oxidation |
| Vanadium Phosphate Catalysts |
| The Active Catalyst |
| In situ and Theoretical Analysis of Vanadium Phosphate Materials |
| Influence of Metal Dopants |
| Reactor Technology for n-Butane Oxidation |
| Wider Application of Vanadium Phosphate Catalysts |
| Conclusions and Perspectives |
| Monolithic Catalysts and Reactors: High Precision with Low Energy Consumption / Jacob A. Moulijn ; Michiel T. Kreutzer ; T. Alexander Nijhuis ; Freek Kapteijn |
| Structured Catalysts and Reactors |
| Monoliths |
| Decoupling Diffusion Length and Interparticle Length |
| Multiphase Operation |
| Reactors and Reactor Configurations |
| Preparation |
| Practical Applications |
| Color Plate Section at the end of the Book |
| Catalytic Deoxygenation Chemistry: Upgrading of Liquids Derived from Biomass Processing / Mark G. White ; Tracy J. Benson ; Prashant R Daggolu ; Rafael Hernandez ; Shetian Liu |
| Heterogeneous catalysis by gold / Masatake Haruta ; Takashi Takei ; Tomoki Akita ; Tamao Ishida ; Tadahiro Fujitani ; Mitsutaka Okumura |
| Nanostructured carbon in heterogeneous catalysis / Robert Schlögl |
