CONTENTS

Front Matter

Title Page, Preface and Acknowledgements
About the Author
Status, History, Issues and Updates
Complementary Textbooks
Teaching Notes and Resources
A Note about Numerical Solutions

Course Units

I. Chemical Reactions
1. Stoichiometry and Reaction Progress
2. Reaction Thermochemistry
3. Reaction Equilibrium
II. Chemical Reaction Kinetics
A. Rate Expressions
4. Reaction Rates and Temperature Effects
5. Empirical and Theoretical Rate Expressions
6. Reaction Mechanisms
7. The Steady State Approximation
8. Rate-Determining Step
9. Homogeneous and Enzymatic Catalysis
10. Heterogeneous Catalysis
B. Kinetics Experiments
11. Laboratory Reactors
12. Performing Kinetics Experiments
C. Analysis of Kinetics Data
13. CSTR Data Analysis
14. Differential Data Analysis
15. Integral Data Analysis
16. Numerical Data Analysis
III. Chemical Reaction Engineering
A. Ideal Reactors
17. Reactor Models and Reaction Types
B. Perfectly Mixed Batch Reactors
18. Reaction Engineering of Batch Reactors
19. Analysis of Batch Reactors
20. Optimization of Batch Reactor Processes
C. Continuous Flow Stirred Tank Reactors
21. Reaction Engineering of CSTRs
22. Analysis of Steady State CSTRs
23. Analysis of Transient CSTRs
24. Multiple Steady States in CSTRs
D. Plug Flow Reactors
25. Reaction Engineering of PFRs
26. Analysis of Steady State PFRs
27. Analysis of Transient PFRs
E. Matching Reactors to Reactions
28. Choosing a Reactor Type
29. Multiple Reactor Networks
30. Thermal Back-Mixing in a PFR
31. Back-Mixing in a PFR via Recycle
32. Ideal Semi-Batch Reactors
IV. Non-Ideal Reactions and Reactors
A. Alternatives to the Ideal Reactor Models
33. Axial Dispersion Model
34. 2-D and 3-D Tubular Reactor Models
35. Zoned Reactor Models
36. Segregated Flow Models
37. Overview of Multi-Phase Reactors
B. Coupled Chemical and Physical Kinetics
38. Heterogeneous Catalytic Reactions
39. Gas-Liquid Reactions
40. Gas-Solid Reactions

Supplemental Units

S1. Identifying Independent Reactions
S2. Solving Non-differential Equations
S3. Fitting Linear Models to Data
S4. Numerically Fitting Models to Data
S5. Solving Initial Value Differential Equations
S6. Solving Boundary Value Differential Equations

Unit 38. Heterogeneous Catalytic Reactions

This website provides learning and teaching tools for a first course on kinetics and reaction engineering. In the preceding parts of the course, the reacting fluid was always treated as if it was homogeneous, and only ideal reactor types were considered. The knowledge gained to this point is sufficient for reaction engineering for many commercial processes. Nonetheless, there are situations where the reactor does not conform to one of the ideal types and/or the rates are affected by the kinetics of physical processes in addition to the chemical reaction rate. Part IV of the course surveys a few such situations. It does not provide an in-depth analysis of any of them, but the information provided should serve as a good foundation for further study.

This, final section of the course, considers situations where the kinetics are affected by factors other than the rate of the chemical reaction. This topic was introduced as part of the discussion on performing kinetics experiments in Part II of the course, specifically in Unit 12. The perspective and objective there was to ensure that these other factors were sufficiently small in magnitude so that they could be ignored. In Section A of this part of the course, specifically in Unit 37, it was noted that when two phases are present in a reactor, concentration and temperature gradients may exist near the interface between phases, and the design equations must properly account for those gradients. Section B of Part IV introduces a few ways that this can be accomplished. Once again, a limited, introductory presentation is offered with comprehensive treatment left for a second, more advanced course on kinetics and reaction engineering.

Unit 38 presents an abbreviated and simplified discussion of the modeling of packed bed reactors where significant concentration and/or temperature gradients exist. Such gradients may be present in the boundary layer between the bulk fluid and the external surface of the catalyst particles, or they may exist within the porous catalyst particles themselves. Unit 38 defines the Thiele modulus for first order reactions in spherical catalyst particles and demonstrates its relationship to the catalyst effectiveness factor, which is also defined in the unit. The unit shows how the ideal PFR model can be modified to account for such gradients by incorporation of an effectiveness factor. It also illustrates how an independent set of design equations for the catalyst phase can be formulated and used in conjunction with a set of design equations for the fluid phase in situations where the effectiveness factor changes along the length of the reactor.

Learning Resources

Teaching Resources

Practice Problems

to be added.