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 25. Reaction Engineering of PFRs

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.

Reaction engineering of the third of the three ideal reactor types, the plug flow reactor (PFR), is the subject of Section D of Part III. The discussion parallels that of the previous two sections: typical reaction engineering tasks are defined, qualitative performance is examined and full mathematical analysis is described and illustrated. Similar to CSTRs, plug flow reactors are typically designed to operate at steady state, but their start-up and shut-down involves transient operation, so both modes of operation are considered in this section.

Unit 25 begins the analysis of the third and final ideal reactor type, namely the plug flow reactor. This unit describes the kinds of tasks one may need to accomplish during the reaction engineering of PFRs. The information is very similar to that for CSTRs, since both are flow reactors. It also includes a discussion of the qualitative analysis of PFRs, showing that their performance is often the same as a batch reactor if one substitutes the PFR residence time in place of the duration of a batch reaction process.

Learning Resources

  • Archive (.zip) - Contains all learning resources listed below for this unit
  • Documents to Read:
  • Videos to Watch (please right-click and save, then play back locally on your computer):
  • Simulators  
    Please note that these simulators are intended for educational purposes only. They should not be used for any other purpose, and if they are, the author does not bear any responsibility or liability for the consequences.
     
    The “zipped .jar file,” when unzipped, will produce a folder that contains a .jar file and a folder named "lib". Not surprisingly the latter folder contains additional libraries and files that the simulator uses. To run the simulator, launch the .jar file either from the command line using java -jar [name of .jar file], or by double clicking it if your operating system supports it. The simulators require JAVA 1.6 or later in order to run. There is a User's Guide under the Help menu that describes how to use the simulators.
     

Teaching Resources

  • Archive (.zip) - Contains all teaching resources listed below for this unit
  • Sample Class
  • Simulator Source files  
    Please note that these simulators are intended for educational purposes only. They should not be used for any other purpose, and if they are, the author does not bear any responsibility or liability for the consequences.
     
    The “Netbeans Project folders” contain the Netbeans java project used to create them. Providing them in this way will allow instructors or students familiar with java and the Netbeans development environment to modify them. They were developed using version 6.7 of Netbeans. They use the Swing Application Framework, which is not supported in version 7.1 or higher of the Netbeans IDE. They are no longer in development, and I am not available to consult on any issues encountered when using them.

Practice Problems

1. Suppose reaction (1a) occurs adiabatically in a steady state PFR, with the temperature and concentration profiles shown in Figures 1 and 2 in this .pdf file. How would the temperature and concentration profiles change if the reaction was run adiabatically using the same feed temperature and composition in the same steady state reactor, but with the volumetric flow rate doubled?

  A + B → Y + Z (1a)  

(Problem Statement as .pdf file)