Isotopic Assessment of Heterogeneous Catalysis

1st Edition - January 28, 1986
Author: John Happel
Language: English
eBook ISBN:
9 7 8 - 0 - 3 2 3 - 1 6 0 1 8 - 6

Isotopic Assessment of Heterogeneous Catalysis deals with the use of isotopic tracing to study the reaction mechanisms involved in heterogeneous catalysis. It presents special… Read more

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Isotopic Assessment of Heterogeneous Catalysis deals with the use of isotopic tracing to study the reaction mechanisms involved in heterogeneous catalysis. It presents special methods for using isotopic and radioactive atomic species for obtaining meaningful kinetic data that can be quantitatively used in mechanistic modeling. It also considers a number of industrial reactions under steady-state reaction conditions in which superposed tracer transfer is also at steady state. This book is comprised of eight chapters and begins with an introduction to heterogeneous catalysis and an approach to reaction modeling, as well as the experimental reactors for obtaining the type of measurements and data needed in transient modeling. The application of isotopes in studies of heterogeneous catalysis is also discussed. Subsequent chapters focus on the choice of intermediates and reaction steps in tracer experiments; the number of overall stoichiometric chemical reactions that can occur in order to generate product molecules from reactants; superposition modeling of mechanisms; and steady-state tracing. Transient tracing and the development of rate equations are also described. This monograph is intended primarily for students and teachers of such subjects as physical chemistry, as well as research scientists and technologists.

Preface

Chapter 1 Introduction

1.1 Definitions and Objectives

1.2 An Approach to Reaction Modeling

1.3 Experimental Reactors

1.4 Isotopic Studies of Heterogeneous Catalysis

1.5 Surface Study of Catalysts

References

Chapter 2 Choice of Intermediates and Reaction Steps

2.1 Purpose

2.2 Terminal Species and Intermediates

2.3 The Chemisorbed Complexes

2.4 Properties of Catalytic Substances

2.5 Elementary Reaction Steps

References

Chapter 3 Enumeration of Reaction Mechanisms

3.1 Independence of Chemical Reactions

3.2 Definitions and Assumptions

3.3 Determination of the General Mechanism

3.4 Listing the Direct Mechanisms

3.5 Systems with a Simple Overall Reaction

3.6 Systems with a Multiple Overall Reaction

List of Symbols

References

Chapter 4 Superposition Modeling of Mechanisms

4.1 Separation of Mechanism and Rate Equations

4.2 The Steady-State Hypothesis

4.3 Methods of Tracer Experimentation

4.4 General Considerations in Modeling with Tracers

4.5 Superposition Modeling with the Gradientless Reactor

4.6 Superposition Modeling with the Constant Volume Reactor

4.7 Superposition Modeling with the Plug-Flow Reactor

List of Symbols

References

Chapter 5 Steady-State Tracing

5.1 Introduction

5.2 Step Velocity Grouping

5.3 Transition-State Theory and Thermodynamics

5.4 Single-Path Reactions

5.5 Multiple-Path Reactions

List of Symbols

References

Chapter 6 Identifiability and Distinguishability

6.1 Introduction

6.2 Identifiability Using Transient Tracing

6.3 Distinguishability Using Transient Tracing

6.4 General Procedure for Model Testing

6.5 Discussion

List of Symbols

References

Chapter 7 Transient Tracing

7.1 Introduction

7.2 Generalized Data Fitting

7.3 Typical Tracer Studies

7.4 Tracing with Multiple Marked Species

7.5 Conclusions

List of Symbols

References

Chapter 8 Development of Rate Equations

8.1 Introduction

8.2 General Expression for the Kinetics of Simple Reactions

8.3 Kinetics of Multiple Reactions

8.4 Concluding Remarks

List of Symbols

References

Index