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 |