Fundamental Concepts in Heterogeneous Catalysis.

Intro -- Fundamental Concepts in Heterogeneous Catalysis -- Copyright -- Contents -- Preface -- Chapter 1 Heterogeneous Catalysis and a Sustainable Future -- References -- Further Reading -- Chapter 2 The Potential Energy Diagram -- 2.1 Adsorption -- 2.2 Surface Reactions -- 2.3 Diffusion -- 2.4 Adsorbate-Adsorbate Interactions -- 2.5 Structure Dependence -- 2.6 Quantum and Thermal Corrections to the Ground-State Potential Energy -- References -- Further Reading -- Chapter 3 Surface Equilibria -- 3.1 Chemical Equilibria in Gases, Solids, and Solutions -- 3.2 The Adsorption Entropy -- 3.3 Adsorption Equilibria: Adsorption Isotherms -- 3.4 Free Energy Diagrams for Surface Chemical Reactions -- Appendix 3.1 The Law of Mass Action and the Equilibrium Constant -- Appendix 3.2 Counting the Number of Adsorbate Configurations -- Appendix 3.3 Configurational Entropy of Adsorbates -- References -- Further Reading -- Chapter 4 Rate Constants -- 4.1 The Timescale Problem in Simulating Rare Events -- 4.2 Transition State Theory -- 4.3 Recrossings and Variational Transition State Theory -- 4.4 Harmonic Transition State Theory -- Reference -- Further Reading -- Chapter 5 Kinetics -- 5.1 Microkinetic Modeling -- 5.2 Microkinetics of Elementary Surface Processes -- 5.3 The Microkinetics of Several Coupled Elementary Surface Processes -- 5.4 Ammonia Synthesis -- Reference -- Further Reading -- Chapter 6 Energy Trends in Catalysis -- 6.1 Energy Correlations for Physisorbed Systems -- 6.2 Chemisorption Energy Scaling Relations -- 6.3 Transition State Energy Scaling Relations in Heterogeneous Catalysis -- 6.4 Universality of Transition State Scaling Relations -- References -- Further Reading -- Chapter 7 Activity and Selectivity Maps -- 7.1 Dissociation Rate-Determined Model -- 7.2 Variations in the Activity Maximum with Reaction Conditions -- 7.3 Sabatier Analysis.

7.4 Examples of Activity Maps for Important Catalytic Reactions -- 7.4.1 Ammonia Synthesis -- 7.4.2 The Methanation Reaction -- 7.5 Selectivity Maps -- References -- Further Reading -- Chapter 8 The Electronic Factor in Heterogeneous Catalysis -- 8.1 The d-Band Model of Chemical Bonding at Transition Metal Surfaces -- 8.2 Changing the d-Band Center: Ligand Effects -- 8.3 Ensemble Effects in Adsorption -- 8.4 Trends in Activation Energies -- 8.5 Ligand Effects for Transition Metal Oxides -- References -- Further Reading -- Chapter 9 Catalyst Structure: Nature of the Active Site -- 9.1 Structure of Real Catalysts -- 9.2 Intrinsic Structure Dependence -- 9.3 The Active Site in High Surface Area Catalysts -- 9.4 Support and Structural Promoter Effects -- References -- Further Reading -- Chapter 10 Poisoning and Promotion of Catalysts -- References -- Further Reading -- Chapter 11 Surface Electrocatalysis -- 11.1 The Electrified Solid-Electrolyte Interface -- 11.2 Electron Transfer Processes at Surfaces -- 11.3 The Hydrogen Electrode -- 11.4 Adsorption Equilibria at the Electrified Surface-Electrolyte Interface -- 11.5 Activation Energies in Surface Electron Transfer Reactions -- 11.6 The Potential Dependence of the Rate -- 11.7 The Overpotential in Electrocatalytic Processes -- 11.8 Trends in Electrocatalytic Activity: The Limiting Potential Map -- References -- Further Reading -- Chapter 12 Relation of Activity to Surface Electronic Structure -- 12.1 Electronic Structure of Solids -- 12.2 The Band Structure of Solids -- 12.3 The Newns-Anderson Model -- 12.4 Bond-Energy Trends -- 12.5 Binding Energies Using the Newns-Anderson Model -- Further Reading -- Index.

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Electronic reproduction. Ann Arbor, Michigan : ProQuest Ebook Central, 2024. Available via World Wide Web. Access may be limited to ProQuest Ebook Central affiliated libraries.