Fundamental concepts in heterogeneous catalysis / Jens K. Nørskov [and three others] ; cover illustration by Johannes Voss.

Format:

Book

Author/Creator:

Nørskov, Jens K.

Nørskov, Jens K., author.

Contributor:

Voss, Johannes, illustrator.

Language:

English

Subjects (All):

Heterogeneous catalysis.

Physical Description:

1 online resource (194 p.)

Edition:

1st ed.

Place of Publication:

Hoboken, New Jersey : Wiley, 2014.

Language Note:

English

Summary:

This 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. Features include: * First comprehensive description of modern theory of heterogeneous catalysis * Basis for understanding and designing experiments in the field * Allows reader to understand catalyst design principles * Introduction to important elements of energy transformation technology * Test driven at Stanford University over several semesters

Contents:

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

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

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

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

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

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

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

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

Chapter 10 Poisoning and Promotion of Catalysts

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

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

Index.

Notes:

Bibliographic Level Mode of Issuance: Monograph

Includes bibliographical references at the end of each chapters and index.

Description based on print version record.

ISBN:

9781118892114

1118892119

9781118892022

111889202X

9781118892053

1118892054

OCLC:

890071730