Catalytic Kinetics

Catalytic Kinetics: Chemistry and Engineering, Second Edition offers a unified view that homogeneous, heterogeneous, and enzymatic catalysis form the cornerstone of practical catalysis.

The book has an integrated, cross-disciplinary approach to kinetics and transport phenomena in catalysis, but still recognizes the fundamental differences between different types of catalysis. In addition, the book focuses on a quantitative chemical understanding and links the mathematical approach to kinetics with chemistry.

A diverse group of catalysts is covered, including catalysis by acids, organometallic complexes, solid inorganic materials, and enzymes, and this fully updated second edition contains a new chapter on the concepts of cascade catalysis. Finally, expanded content in this edition provides more in-depth discussion, including topics such as organocatalysis, enzymatic kinetics, nonlinear dynamics, solvent effects, nanokinetics, and kinetic isotope effects.

• Fully revised and expanded, providing the latest developments in catalytic kinetics
• Bridges the gaps that exist between hetero-, homo- and enzymatic-catalysis
• Provides necessary tools and new concepts for researchers already working in the field of catalytic kinetics
• Written by internationally-renowned experts in the field
• Examples and exercises following each chapter make it suitable as an advanced course book

Post-graduate students and researchers in academia and industry working in catalysis, kinetics, and chemical engineering

Chapter 1: Setting the Scene

• Abstract
• 1.1 History
• 1.2 Catalysis
• 1.3 Formal Kinetics
• 1.4 Acquisition of Kinetic Data
• 1.5 Kinetics and Thermodynamics
• 1.6 Examples and Exercises

Chapter 2: Catalysis

• Abstract
• 2.1 Homogeneous Catalysis
• 2.2 Heterogeneous Catalysis
• 2.3 Organocatalysis
• 2.4 Examples and Exercises

Chapter 3: Elementary Reactions

• Abstract
• 3.1 Reaction Rate Theory
• 3.2 Elementary Reactions in Solutions
• 3.3 Reaction Mechanism
• 3.4 Quasi-equilibrium Approximation
• 3.5 Relationship Between Thermodynamics and Kinetics
• 3.6 Transition State Theory of Surface Reactions
• 3.7 Rates of Reactions on Nonideal Surfaces
• 3.8 Deterministic and Stochastic Models
• 3.9 Microkinetic Modeling
• 3.10 Compensation Effect
• 3.11 Isotope Effects
• 3.12 Examples and Exercises

Chapter 4: Complex Reactions

• Abstract
• 4.1 Steady State Kinetics of Complex Reactions
• 4.2 Basic Routes of Complex Reactions
• 4.3 Single-Route Steady-State Reaction
• 4.4 Topological Analysis of Complex Reactions
• 4.5 Electrical Analogy of Reaction Networks
• 4.6 Thermodynamic Consistency of Rate Constants for Complex Networks
• 4.7 Kinetic Aspects of Selectivity
• 4.8 Parallel Reactions: Kinetic Coupling
• 4.9 Reduction of Complexity
• 4.10 Polynomial Kinetics
• 4.11 Examples and Exercises

Chapter 5: Homogeneous Catalytic Kinetics

• Abstract
• 5.1 Homogeneous Acid-Base Catalysis
• 5.2 Nucleophilic Catalysis
• 5.3 Catalysis by Metal Ions
• 5.4 Catalysis by Organometallic Complexes
• 5.5 Organocatalysis
• 5.6 Polymerization Catalysis
• 5.7 Examples and Exercises

Chapter 6: Enzymatic Kinetics

• Abstract
• 6.1 Enzymatic Catalysis
• 6.2 Cooperative Kinetics
• 6.3 Inhibition
• 6.4 Effects of pH
• 6.5 Single Molecule Enzymology
• 6.6 Enantioselectivity in Enzyme Catalyzed Reactions
• 6.7 Generalized Rate Laws for Enzymatic Reactions
• 6.8 Heterogeneous Systems/Immobilized Enzymes
• 6.9 Examples and Exercises

Chapter 7: Heterogeneous Catalytic Kinetics

• Abstract
• 7.1 Reactions on Ideal Surfaces
• 7.2 Reactions on Nonideal Surfaces
• 7.3 Selectivity
• 7.4 Polyatomic Nature of Reactants and Coverage-Dependent Adsorption Mode
• 7.5 Solvent Effects
• 7.6 Ionic Species
• 7.7 Transfer of Labeled Atoms in Heterogeneous Catalytic Reactions
• 7.8 Electrocatalytic Kinetics
• 7.9 Photocatalytic Kinetics
• 7.10 Nanokinetics
• 7.11 Examples and Exercises

Chapter 8: Kinetics of Catalytic Reactions With Multiple/Multifunctional Catalysts

• Abstract
• 8.1 General
• 8.2 Combined Catalytic and Noncatalytic Reactions
• 8.3 Multiple Catalysts of the Same Type
• 8.4 Multiple Catalysts of Different Types
• 8.5 Examples and Exercises

Chapter 9: Dynamic Catalysis

• Abstract
• 9.1 Transient Kinetics
• 9.2 Relaxation Methods
• 9.3 Temperature-Programmed Desorption
• 9.4 Oscillations
• 9.5 Dynamic Catalyst Changes
• 9.6 Examples and Exercises

Chapter 10: Mass Transfer and Catalytic Reactions

• Abstract
• 10.1 Catalytic Multi-Phase Systems
• 10.2 Simultaneous Reaction and Diffusion in Fluid Films and in Porous Materials
• 10.3 Liquid-Liquid Diffusion, Phase-Transfer Catalysis
• 10.4 Catalytic Two-Phase Systems
• 10.5 Mass Transfer and Enzymatic Kinetics
• 10.6 External Mass Transfer
• 10.7 Internal Diffusion and Selectivity
• 10.8 Internal Diffusion and Deactivation
• 10.9 Elucidation of the Impact of Mass Transfer
• 10.10 Three-Phase Systems
• 10.11 Examples and Exercises

Chapter 11: Kinetic Modeling

• Abstract
• 11.1 Basic Principles
• 11.2 Heuristic Design of Experiments
• 11.3 Parameter Estimation: Classical Methods
• 11.4 Parameter Estimation: Regression
• 11.5 Numerical Strategies
• 11.6 Analysis of Parameters
• 11.7 Model Discrimination
• 11.8 Software
• 11.9 Case Studies