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 32. Ideal Semi-Batch Reactors

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.

Unit 32 examines a way of augmenting the operating procedure for a batch reactor in order to enhance its performance characteristics under selected conditions. Specifically, this unit examines semi-batch reactors. In semi-batch processing, most of the reagents are treated as they would be under batch processing: they are put into the reactor prior to starting the reaction, and they are removed from the reactor after the reaction is terminated. In contrast to batch processing, during semi-batch processing, at least one reagent is added or removed while the reaction is taking place. This unit describes the modeling of reactors that are operated as semi-batch reactors.

Learning Resources

Teaching Resources

Practice Problems

1. Acid A is to be neutralized using base B by slowly adding a 2 M solution of the base to a 10 M solution of the acid. The neutralization reaction is irreversible with a heat of reaction equal to -44 kcal mol-1. The reaction is first order in both acid and base with a pre-exponential factor of 8.11 x 1012 L mol-1 s-1 and an activation energy of 17.7 kcal mol-1. A jacketed, perfectly mixed, 25 L batch reactor will be charged with 4 L of the 10 M solution of A at 20 °C, while cooling water at 20 °C flows at 0.1 kg min-1 to the perfectly mixed, 0.5 L jacket. The heat transfer area is 0.6 ft2 and the heat transfer coefficient is 1.13 x 104 cal ft-2 h-1 K-1. The cooling water and the solutions of A and B may be taken to have a constant density of 1 g cm-3 and a constant heat capacity of 1 cal g-1 K-1. The pressure in the reactor will be constant and equal to 1 atm. Plot the acid concentration and the reactor temperature as a function of time during which the base solution at 20 °C is being added at a rate of 1.0 L min-1.

(Problem Statement as .pdf file)