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 19. Analysis of 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.

Section B of Part III examines reaction engineering for perfectly mixed batch reactors. Typical reaction engineering tasks involving batch reactors are identified and described. In order to become a proficient reaction engineer, one must develop an intuitive appreciation of how a reactor responds to changes in operational procedures. For this reason a detailed discussion of the qualitative analysis of batch reactors is presented in this section along with the full mathematical analysis of their behavior.

As noted in Unit 18, batch reactor processing often follows an operational protocol that involves sequential steps much like a cooking recipe. In general, each step in the operational protocol must be analyzed separately. Unit 19 describes and illustrates how to quantitatively analyze a step in the operational protocol using the batch reactor design equations that were derived in Unit 17. In particular, Unit 19 discusses which of the mole and energy balances are needed to accurately model different types of processing steps. It also describes how to identify zero-valued and insignificant terms that can be dropped from the design equations. Finally, it considers a few of the more common ways of modeling heat transfer between the reactor contents and either a submerged heat transfer coil or an external heat transfer jacket.

Learning Resources

Teaching Resources

Practice Problems

1. The conversion of A to B takes place in an aqueous solution in an adiabatic batch reactor. The reactor is charged with 1200 L of a 2 M solution of A at 300 K. The heat capacity of the solution as a whole can be taken to equal 1.0 cal mL-1 K-1. The heats of formation of A and B may be taken to equal -75 and -82 kcal mol-1, respectively, and the heat of reaction may be assumed to be independent of temperature. Calculate the time required to reach 80% conversion and the final temperature. The reaction is first order in A and the rate coefficient obeys the Arrhenius expression with a pre-exponential term equal to 2.4 x 108 s-1 and an activation energy of 15.3 kcal mol-1.

(Problem Statement as .pdf file)

2. An adiabatic batch reactor with a volume of 15 ft3 is initially charged with a 650 °R solution containing A at a concentration of 0.125 lbmol ft-3 and B at a concentration of 3 lbmol ft-3. Reaction (2a) occurs with a rate given by equation (2b) wherein k0 = 1.2 x 1014 ft3 lbmol-1 min-1, E/R = 23000 °R, K0 = 6.5 x 10-13 ft3 lbmol-1 and ΔH/R = -20000 °R. The heat of reaction (2a) is constant and equal to -170,000 BTU lbmol-1. The heat capacity of the solution may be taken to equal 135 BTU °R-1 ft-3, independent of temperature. The density of the liquid may be assumed to be constant. Calculate the concentration of Z and the temperature after 2 h of operation.

  A + B → Z (2a)  
  r2a=k0exp(-E/RT)CACB(1-CZ/(K0exp(-ΔH/RT)CACB)) (2b)  

(Problem Statement as .pdf file)