Book
1 online resource.
  • Preface viii 1 Heterogeneous Catalysis and a Sustainable Future 1 2 The Potential Energy Diagram 6 2.1 Adsorption 7 2.2 Surface Reactions 11 2.3 Diffusion 13 2.4 Adsorbate Adsorbate Interactions 15 2.5 Structure Dependence 17 2.6 Quantum and Thermal Corrections to the Ground-StatePotential Energy 20 3 Surface Equilibria 26 3.1 Chemical Equilibria in Gases Solids and Solutions 26 3.2 The Adsorption Entropy 31 3.3 Adsorption Equilibria: Adsorption Isotherms 34 3.4 Free Energy Diagrams for Surface Chemical Reactions 40 Appendix 3.1 The Law of Mass Action and the Equilibrium Constant42 Appendix 3.2 Counting the Number of Adsorbate Configurations44 Appendix 3.3 Configurational Entropy of Adsorbates 44 4 Rate Constants 47 4.1 The Timescale Problem in Simulating Rare Events 48 4.2 Transition State Theory 49 4.3 Recrossings and Variational Transition State Theory 59 4.4 Harmonic Transition State Theory 61 5 Kinetics 68 5.1 Microkinetic Modeling 68 5.2 Microkinetics of Elementary Surface Processes 69 5.3 The Microkinetics of Several Coupled Elementary SurfaceProcesses 74 5.4 Ammonia Synthesis 79 6 Energy Trends in Catalysis 85 6.1 Energy Correlations for Physisorbed Systems 85 6.2 Chemisorption Energy Scaling Relations 87 6.3 Transition State Energy Scaling Relations in HeterogeneousCatalysis 90 6.4 Universality of Transition State Scaling Relations 93 7 Activity and Selectivity Maps 97 7.1 Dissociation Rate-Determined Model 97 7.2 Variations in the Activity Maximum with Reaction Conditions101 7.3 Sabatier Analysis 103 7.4 Examples of Activity Maps for Important Catalytic Reactions105 7.4.1 Ammonia Synthesis 105 7.4.2 The Methanation Reaction 107 7.5 Selectivity Maps 112 8 The Electronic Factor in Heterogeneous Catalysis114 8.1 The d-Band Model of Chemical Bonding at Transition MetalSurfaces 114 8.2 Changing the d-Band Center: Ligand Effects 125 8.3 Ensemble Effects in Adsorption 130 8.4 Trends in Activation Energies 131 8.5 Ligand Effects for Transition Metal Oxides 134 9 Catalyst Structure: Nature of the Active Site 138 9.1 Structure of Real Catalysts 138 9.2 Intrinsic Structure Dependence 139 9.3 The Active Site in High Surface Area Catalysts 143 9.4 Support and Structural Promoter Effects 146 10 Poisoning and Promotion of Catalysts 150 11 Surface Electrocatalysis 155 11.1 The Electrified Solid Electrolyte Interface 156 11.2 Electron Transfer Processes at Surfaces 158 11.3 The Hydrogen Electrode 161 11.4 Adsorption Equilibria at the ElectrifiedSurface Electrolyte Interface 161 11.5 Activation Energies in Surface Electron Transfer Reactions162 11.6 The Potential Dependence of the Rate 164 11.7 The Overpotential in Electrocatalytic Processes 167 11.8 Trends in Electrocatalytic Activity: The Limiting PotentialMap 169 12 Relation of Activity to Surface Electronic Structure175 12.1 Electronic Structure of Solids 175 12.2 The Band Structure of Solids 179 12.3 The Newns Anderson Model 184 12.4 Bond-Energy Trends 186 12.5 Binding Energies Using the Newns Anderson Model193 Index 195.
  • (source: Nielsen Book Data)9781118888957 20160617
This book is based on a graduate course and suitable as a primerfor any newcomer to the field, this book is a detailed introductionto the experimental and computational methods that are used tostudy how solid surfaces act as catalysts. Features include: * First comprehensive description of modern theory ofheterogeneous catalysis * Basis for understanding and designing experiments in the field * Allows reader to understand catalyst design principles * Introduction to important elements of energy transformationtechnology * Test driven at Stanford University over several semesters.
(source: Nielsen Book Data)9781118888957 20160617
eReserve
CHEMENG-142-01, CHEMENG-242-01