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 28. Choosing a Reactor Type

This website provides learning and teaching tools for a first course on kinetics and reaction engineering. Here, in Part III of the course, the focus is on the modeling of chemical reactors. In particular, it describes reaction engineering using the three ideal reactor types: perfectly mixed batch reactors, continuous flow stirred tank reactors and plug flow reactors. After considering each of the ideal reactor types in isolation, the focus shifts to ideal reactors that are combined with other reactors or equipment to better match the characteristics of the reactor to the reactions running within it.

The preceding sections of Part III examined reaction engineering using one of the three ideal reactor types in isolation. Section E considers the important topic of matching the reactions being run to the reactor that is best-suited to those reactions. It examines ways in which the ideal reactors can be modified or augmented so that their performance is further improved. In all cases considered in this section, each reactor is still one of the three ideal types, and it is still modeled as described in the preceding sections. The things that differ from prior analyses are the external connections to the reactor or reactors. These changes lead to improved performance for a selected class of reaction, but they can also affect the mathematical approach used to solve the reactor model equations.

Reaction engineering with each of the three types of ideal reactors was considered in the preceding sections of Part III of A First Course on Kinetics and Reaction Engineering. The advantages and disadvantages of each reactor type have been considered. However, in all of the reaction engineering tasks that have been considered, the type of reactor to be analyzed has always been specified. Suppose a different type of engineering task was assigned wherein a reaction was specified and the assignment was to design a reactor system for that reaction (or set of reactions). Unit 28 considers the situation where deciding which type of reactor to use is part of the engineering analysis.

Learning Resources

Teaching Resources

Practice Problems

1. Consider the irreversible, liquid phase reaction A → Z, equation (1a) which occurs at constant density. Reactant A is supplied at a rate of 4 L min-1 in a concentration of 2 mol L-1 and at a temperature of 43 °C. The heat capacity of the fluid is 0.87 cal mL-1 K-1 and the heat of reaction is -27.2 kcal mol-1. The reaction is second order in the concentration of A, equation (2), and the rate coefficient obeys Arrhenius' law with a pre-exponential factor of 6.37 x 109 L mol-1 min-1 and an activation energy of 14.3 kcal mol-1. (a) Using a qualitative analysis, predict whether the required reactor volume of an adiabatic PFR or of an adiabatic CSTR would be larger assuming the conversion to be 50%, then perform a quantitative analysis to check your prediction. (b) Repeat part (a) assuming the conversion to be 95%.

  A → Z (1a)  
  r = kCA2 (1b)  

(Problem Statement as .pdf file)