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 35. Zoned Reactor Models

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.

The first section of Part IV considers reactors that do not satisfy the assumptions of any of the ideal reactor types. It touches upon three approaches to modeling such reactors. One approach is to increase the rigor of the ideal reactor models by changing one of more of the assumptions that define the ideal reactor, but retaining most of the original model. A second approach is to effectively abandon rigor in favor of a quantitatively accurate description of the reactor behavior. The last approach uses statistical methods to describe the performance of a reactor. Section A then concludes by considering changes that are necessary when modeling reactors wherein two phases are involved in the reaction(s) taking place, and presenting with an overview of reactors that are used when the reaction involves two or more phases.

Unit 35 considers zoned reactor models. Sometimes a reactor that is expected to obey the assumptions of an ideal reactor fails to do so, and the failure can be attributed to a physical issue. For example, the baffles in a CSTR might not be sized or positioned properly leading to “pockets” of fluid that are not perfectly mixed with the rest of the fluid in the reactor. This reactor might be modeled as a CSTR in combination with a well-mixed stagnant zone. As a second example, a packed bed reactor might not perform like an ideal PFR because the packing is not properly distributed, causing some fraction of the flow to bypass most of the packed bed. A zoned reactor model might be developed for this system where one zone represents the primary flow through the bed and a second zone represents the bypassing fraction of the flow. In effect, zoned reactor models are multiple reactor networks that are being used to model a single physical reactor.

Learning Resources

Teaching Resources

Practice Problems

1. A tube that is 6 m long with an inside diameter of 7 cm is packed with pellets of solid catalyst. Reaction (1a) takes place within this reactor at a constant temperature of 450 °C and a constant pressure of 5 atm. The reactor will be fed 200 ft3 h-1 of a gas containing 15% A, 15% B and 70% I (an inert gas). Reaction (1a) is one-half order in A and first order in B. Suppose that the packing in the tube is not uniform, and as a consequence 5% of the bed has a lower density (leading to a rate coefficient of 59.5 mol h-1 atm-0.5 m-3), while the remainder has a higher density (with a rate coefficient of 72 mol h-1 atm-0.5 m-3). Using a zoned reactor model with two equally-sized, well-mixed stagnant zones located 1/3 and 2/3 of the way into the reactor representing the lower density region and modeling the remainder of the reactor as a PFR, calculate the conversion if 7.5% of the flow in the PFR is diverted to each of the well-mixed stagnant zones.

  2A + B → 2 Z (1a)  

(Problem Statement as .pdf file)