{"product_id":"fundamental-concepts-in-heterogeneous-catalysis-isbn-9781118888957","title":"Fundamental Concepts in Heterogeneous Catalysis","description":"\u003cp\u003eThis book is based on a graduate course and suitable as a primer for any newcomer to the field, this book is a detailed introduction to the experimental and computational methods that are used to study how solid surfaces act as catalysts.\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e Features include:\u003cbr\u003e \u003cul\u003e \u003cli\u003eFirst comprehensive description of modern theory of heterogeneous catalysis\u003c\/li\u003e \u003cli\u003eBasis for understanding and designing experiments in the field  \u003c\/li\u003e \u003cli\u003eAllows reader to understand catalyst design principles\u003c\/li\u003e \u003cli\u003eIntroduction to important elements of energy transformation technology\u003c\/li\u003e \u003cli\u003eTest driven at Stanford University over several semesters\u003c\/li\u003e \u003c\/ul\u003e \u003cp\u003ePreface viii\u003c\/p\u003e \u003cp\u003e\u003cb\u003e1 Heterogeneous Catalysis and a Sustainable Future 1\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e\u003cb\u003e2 The Potential Energy Diagram 6\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e2.1 Adsorption, 7\u003c\/p\u003e \u003cp\u003e2.2 Surface Reactions, 11\u003c\/p\u003e \u003cp\u003e2.3 Diffusion, 13\u003c\/p\u003e \u003cp\u003e2.4 Adsorbate–Adsorbate Interactions, 15\u003c\/p\u003e \u003cp\u003e2.5 Structure Dependence, 17\u003c\/p\u003e \u003cp\u003e2.6 Quantum and Thermal Corrections to the Ground-State Potential Energy, 20\u003c\/p\u003e \u003cp\u003e\u003cb\u003e3 Surface Equilibria 26\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e3.1 Chemical Equilibria in Gases, Solids, and Solutions, 26\u003c\/p\u003e \u003cp\u003e3.2 The Adsorption Entropy, 31\u003c\/p\u003e \u003cp\u003e3.3 Adsorption Equilibria: Adsorption Isotherms, 34\u003c\/p\u003e \u003cp\u003e3.4 Free Energy Diagrams for Surface Chemical Reactions, 40\u003c\/p\u003e \u003cp\u003eAppendix 3.1 The Law of Mass Action and the Equilibrium Constant, 42\u003c\/p\u003e \u003cp\u003eAppendix 3.2 Counting the Number of Adsorbate Configurations, 44\u003c\/p\u003e \u003cp\u003eAppendix 3.3 Configurational Entropy of Adsorbates, 44\u003c\/p\u003e \u003cp\u003e\u003cb\u003e4 Rate Constants 47\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e4.1 The Timescale Problem in Simulating Rare Events, 48\u003c\/p\u003e \u003cp\u003e4.2 Transition State Theory, 49\u003c\/p\u003e \u003cp\u003e4.3 Recrossings and Variational Transition State Theory, 59\u003c\/p\u003e \u003cp\u003e4.4 Harmonic Transition State Theory, 61\u003c\/p\u003e \u003cp\u003e\u003cb\u003e5 Kinetics 68\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e5.1 Microkinetic Modeling, 68\u003c\/p\u003e \u003cp\u003e5.2 Microkinetics of Elementary Surface Processes, 69\u003c\/p\u003e \u003cp\u003e5.3 The Microkinetics of Several Coupled Elementary Surface Processes, 74\u003c\/p\u003e \u003cp\u003e5.4 Ammonia Synthesis, 79\u003c\/p\u003e \u003cp\u003e\u003cb\u003e6 Energy Trends in Catalysis 85\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e6.1 Energy Correlations for Physisorbed Systems, 85\u003c\/p\u003e \u003cp\u003e6.2 Chemisorption Energy Scaling Relations, 87\u003c\/p\u003e \u003cp\u003e6.3 Transition State Energy Scaling Relations in Heterogeneous Catalysis, 90\u003c\/p\u003e \u003cp\u003e6.4 Universality of Transition State Scaling Relations, 93\u003c\/p\u003e \u003cp\u003e\u003cb\u003e7 Activity and Selectivity Maps 97\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e7.1 Dissociation Rate-Determined Model, 97\u003c\/p\u003e \u003cp\u003e7.2 Variations in the Activity Maximum with Reaction Conditions, 101\u003c\/p\u003e \u003cp\u003e7.3 Sabatier Analysis, 103\u003c\/p\u003e \u003cp\u003e7.4 Examples of Activity Maps for Important Catalytic Reactions, 105\u003c\/p\u003e \u003cp\u003e7.4.1 Ammonia Synthesis, 105\u003c\/p\u003e \u003cp\u003e7.4.2 The Methanation Reaction, 107\u003c\/p\u003e \u003cp\u003e7.5 Selectivity Maps, 112\u003c\/p\u003e \u003cp\u003e\u003cb\u003e8 The Electronic Factor in Heterogeneous Catalysis 114\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e8.1 The d-Band Model of Chemical Bonding at Transition Metal Surfaces, 114\u003c\/p\u003e \u003cp\u003e8.2 Changing the d-Band Center: Ligand Effects, 125\u003c\/p\u003e \u003cp\u003e8.3 Ensemble Effects in Adsorption, 130\u003c\/p\u003e \u003cp\u003e8.4 Trends in Activation Energies, 131\u003c\/p\u003e \u003cp\u003e8.5 Ligand Effects for Transition Metal Oxides, 134\u003c\/p\u003e \u003cp\u003e\u003cb\u003e9 Catalyst Structure: Nature of the Active Site 138\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e9.1 Structure of Real Catalysts, 138\u003c\/p\u003e \u003cp\u003e9.2 Intrinsic Structure Dependence, 139\u003c\/p\u003e \u003cp\u003e9.3 The Active Site in High Surface Area Catalysts, 143\u003c\/p\u003e \u003cp\u003e9.4 Support and Structural Promoter Effects, 146\u003c\/p\u003e \u003cp\u003e\u003cb\u003e10 Poisoning and Promotion of Catalysts 150\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e\u003cb\u003e11 Surface Electrocatalysis 155\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e11.1 The Electrified Solid–Electrolyte Interface, 156\u003c\/p\u003e \u003cp\u003e11.2 Electron Transfer Processes at Surfaces, 158\u003c\/p\u003e \u003cp\u003e11.3 The Hydrogen Electrode, 161\u003c\/p\u003e \u003cp\u003e11.4 Adsorption Equilibria at the Electrified Surface–Electrolyte Interface, 161\u003c\/p\u003e \u003cp\u003e11.5 Activation Energies in Surface Electron Transfer Reactions, 162\u003c\/p\u003e \u003cp\u003e11.6 The Potential Dependence of the Rate, 164\u003c\/p\u003e \u003cp\u003e11.7 The Overpotential in Electrocatalytic Processes, 167\u003c\/p\u003e \u003cp\u003e11.8 Trends in Electrocatalytic Activity: The Limiting Potential Map, 169\u003c\/p\u003e \u003cp\u003e\u003cb\u003e12 Relation of Activity to Surface Electronic Structure 175\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e12.1 Electronic Structure of Solids, 175\u003c\/p\u003e \u003cp\u003e12.2 The Band Structure of Solids, 179\u003c\/p\u003e \u003cp\u003e12.3 The Newns–Anderson Model, 184\u003c\/p\u003e \u003cp\u003e12.4 Bond-Energy Trends, 186\u003c\/p\u003e \u003cp\u003e12.5 Binding Energies Using the Newns–Anderson Model, 193\u003c\/p\u003e \u003cp\u003eIndex 195\u003c\/p\u003e  \u003cp\u003e\u003cb\u003eJENS K. NØRSKOV, PHD,\u003c\/b\u003e is the Leland T. Edwards Professor of Engineering at Stanford University, USA. He is the founding director of the SUNCAT Center for Interface Science and Catalysis at Stanford University and SLAC National Accelerator Laboratory, USA. He has pioneered the development of a set of concepts allowing a molecular level understanding of surface chemical processes and heterogeneous catalysis. \u003c\/p\u003e\u003cp\u003e\u003cb\u003eFELIX STUDT, PHD, \u003c\/b\u003eis a Staff Scientist at the SLAC National Accelerator Laboratory, USA. His SUNCAT research group focuses on understanding catalytic processes for efficient energy conversion and using this as a basis for design of new catalysts. \u003c\/p\u003e\u003cp\u003e\u003cb\u003eFRANK ABILD-PEDERSEN, PHD, \u003c\/b\u003e is a Staff Scientist at the SUNCAT Center at SLAC National Accelerator Laboratory, USA, where his group focuses on the development of theoretical models of molecule surface interactions and models describing ultrafast surface processes measured in X-ray free electron lasers. \u003c\/p\u003e\u003cp\u003e\u003cb\u003eTHOMAS BLIGAARD, PHD, \u003c\/b\u003e is a Senior Staff Scientist at at SLAC National Accelerator Laboratory, USA and the deputy director for theory at the SUNCAT Center, USA. His research group focuses on the development of electronic structure methods, kinetics tools, and data mining in catalysis.   \u003c\/p\u003e\u003cp\u003e\u003cb\u003eThe first comprehensive text on the modern theory of heterogeneous catalysis\u003c\/b\u003e \u003c\/p\u003e\u003cp\u003eHeterogeneous catalysis is the cornerstone of chemical industry and also holds the key to new processes for sustainable energy conversion and sustainable production of feedstocks for the chemical industry. Heterogeneous catalysis involves chemical transformations taking place at the surface of a solid, and is a very complex phenomenon. There is now a consistent set of concepts that allow an understanding of surface catalysis and they even form a basis for design principles for new catalysts. \u003c\/p\u003e\u003cp\u003eBased on a graduate\/senior-undergraduate course and suitable as a primer for anyone interested in understanding the field, \u003ci\u003eFundamental Concepts in Heterogeneous Catalysis\u003c\/i\u003e presents the following: \u003c\/p\u003e\u003cul\u003e\n\u003cli\u003eThe fundamentals of surface reaction phenomena including potential energy diagrams, free energy diagrams, and kinetic models\u003c\/li\u003e \u003cli\u003eTools to reduce the complexity of heterogeneous catalysis including scaling relations\u003c\/li\u003e \u003cli\u003eAn understanding of trends in catalysis including activity and selectivity maps\u003c\/li\u003e \u003cli\u003eAn introduction to electronic structure effects in catalysis and an understanding of structural effects\u003c\/li\u003e \u003cli\u003eApplication to a series of heterogeneously catalyzed reactions including reactions of interest in energy conversion\u003c\/li\u003e \u003cli\u003eAn integration of the conceptual frameworks of electro-catalysis and thermal heterogeneous catalysis\u003c\/li\u003e \u003cli\u003eAn understanding of the effect of promoters and poisons in heterogeneous catalysis\u003c\/li\u003e\n\u003c\/ul\u003e \u003cp\u003eUnlike most textbooks in the field, the aim of this monograph is not to give a complete overview of the types of catalysts or catalytic processes, but to provide interested students and researchers with the atomic-scale concepts for understanding catalytic phenomena.\u003c\/p\u003e","brand":"Wiley","offers":[{"title":"Default Title","offer_id":47989254815973,"sku":"NP9781118888957","price":110.95,"currency_code":"USD","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/1842\/7735\/files\/9781118888957.jpg?v=1761783395","url":"https:\/\/k12savings.com\/es\/products\/fundamental-concepts-in-heterogeneous-catalysis-isbn-9781118888957","provider":"K12savings","version":"1.0","type":"link"}