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Fundamentals of Chemical Reactor Engineering

A Multi-Scale Approach

Dogu, Timur / Dogu, Gulsen


1. Edition October 2021
352 Pages, Hardcover
Wiley & Sons Ltd

ISBN: 978-1-119-75589-0
John Wiley & Sons

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A comprehensive introduction to chemical reactor engineering from an industrial perspective

In Fundamentals of Chemical Reactor Engineering: A Multi-Scale Approach, a distinguished team of academics delivers a thorough introduction to foundational concepts in chemical reactor engineering. It offers readers the tools they need to develop a firm grasp of the kinetics and thermodynamics of reactions, hydrodynamics, transport processes, and heat and mass transfer resistances in a chemical reactor.

This textbook describes the interaction of reacting molecules on the molecular scale and uses real-world examples to illustrate the principles of chemical reactor analysis and heterogeneous catalysis at every scale. It includes a strong focus on new approaches to process intensification, the modeling of multifunctional reactors, structured reactor types, and the importance of hydrodynamics and transport processes in a chemical reactor.

With end-of-chapter problem sets and multiple open-ended case studies to promote critical thinking, this book also offers supplementary online materials and an included instructor's manual. Readers will also find:
* A thorough introduction to the rate concept and species conservation equations in reactors, including chemical and flow reactors and the stoichiometric relations between reacting species
* A comprehensive exploration of reversible reactions and chemical equilibrium, including the thermodynamics of chemical reactions and different forms of the equilibrium constant
* Practical discussions of chemical kinetics and analysis of batch reactors, including batch reactor data analysis
* In-depth examinations of ideal flow reactors, CSTR, and plug flow reactor models

Ideal for undergraduate and graduate chemical engineering students studying chemical reactor engineering, chemical engineering kinetics, heterogeneous catalysis, and reactor design, Fundamentals of Chemical Reactor Engineering is also an indispensable resource for professionals and students in food, environmental, and materials engineering.



About the Authors and Acknowledgements

List of Symbols

Chapter 1: Rate Concept and Species Conservation Equations in Reactors

1.1 Reaction Rates of Species in Chemical Conversions

1.2 Rate of a Chemical Change

1.3 Chemical Reactors and Conservation of Species

1.4 Flow Reactors and the Reaction Rate Relations

1.5 Comparison of Perfectly Mixed Flow and Batch Reactors

1.6 Ideal Tubular Flow Reactor

1.7 Stoichiometric Relations Between Reacting Species

Problems and Questions


Chapter 2: Reversible Reactions and Chemical Equilibrium

2.1 Thermodynamics of Chemical Reactions

2.2 Different Forms of Equilibrium Constant

2.3 Temperature Dependence of Equilibrium Constant and Equilibrium Calculations

Problems and Questions


Chapter 3: Chemical Kinetics and Analysis of Batch Reactors

3.1 Kinetics and Mechanisms of Homogeneous Reactions

3.2 Batch Reactor Data Analysis

3.2.1 Integral Method of Data Analysis

3.2.2 Differential Method of Data Analysis

3.3 Changes in Total Pressure or Volume in Gas Phase Reactions

Problems and Questions

Chapter 4: Ideal Flow Reactors: CSTR and Plug Flow Reactor Models

4.1 CSTR Model

4.2 Analysis of Ideal Plug Flow Reactor

4.3 Comparison of Performances of CSTR and Ideal Plug Flow Reactors

4.4 Equilibrium and Rate Limitations in Ideal Flow Reactors

4.5 Unsteady Operation of Reactors

4.5.1 Unsteady Operation of a Constant Volume Stirred Tank Reactor

4.5.2 Semi-Batch Reactors

4.6 Analysis of a CSTR with a Complex Rate Expression

Problems and Questions


Chapter 5: Multiple Reactor Systems

5.1 Multiple CSTRs Operating in Series

5.2 Multiple Plug Flow Reactors Operating in Series

5.3 CSTR and Plug Flow Reactor Combinations

Problems and Questions

Chapter 6: Multiple Reaction Systems

6.1 Selectivity and Yield Definitions

6.2 Selectivity Relations for Ideal Flow Reactors

6.3Design of Ideal Reactors and Product Distributions for Multiple Reaction Systems

Problems and Questions


Chapter 7: Heat Effects and Non-Isothermal Reactor Design

7.1 Heat Effects in a Stirred Tank Reactor

7.2 Steady-State Multiplicity in a CSTR

7.3. One Dimensional Energy Balance for a Tubular Reactor

7.4Heat Effects in Multiple Reaction Systems

7.5 Heat Effects in Multiple Reactors and Reversible Reactions

7.5.1 Temperature Selection and Multiple Reactor Combinations

7.5.2 Cold Injection Between Reactors

Problems and Questions

Case Studies


Chapter 8: Deviations from Ideal Reactor Performance

8.1 Residence Time Distributions in Flow Reactors

8.2 General Species Conservation Equation in a Reactor

8.3 Laminar Flow Reactor Model

8.4 Dispersion Model for a Tubular Reactor

8.5 Prediction of Axial Dispersion Coefficient

8.6 Evaluation of Dispersion Coefficient by Moment Analysis

8.7Radial Temperature Variations in Tubular Reactors

8.8 A Criterion for the Negligible Effect of Radial Temperature Variations on the Reaction Rate

8.9 Effect of Ratio on the Performance of a Tubular Reactor and Pressure Drop

Problems and Questions



Chapter 9: Fixed Bed Reactors and Interphase Transport Effects

9.1 Solid Catalyzed Reactions and Transport Effects within Reactors

9.2 Observed Reaction Rate and Fixed Bed Reactors

9.3 Significance of Film Mass Transfer Resistance in Catalytic Reactions

9.4 Tubular Reactors with Catalytic Walls

9.5 Modeling of a Nonisothermal Fixed Bed Reactor

9.6 Steady-State Multiplicity on the Surface of a Catalyst Pellet



Chapter 10: Transport Effects and Effectiveness Factor for Reactions in Porous Catalysts

10.1 Effectiveness Factor Expressions in an Isothermal Catalyst Pellet

10.2 Observed Activation Energy and Observed Reaction Order

10.3 Effectiveness Factor in the Presence of Pore Diffusion and Film Mass Transfer Resistances

10.4 Thermal Effects in Porous Catalyst Pellets

10.5 Interphase and Intrapellet Temperature Gradients for Catalyst Pellets

10.6 Pore Structure Optimization and Effectiveness Factor Analysis for Catalysts with Bi-Modal Pore-Size Distributions

10.7 Criteria for Negligible Transport Effects in Catalytic Reactions

10.7.1 Criteria for Negligible Diffusion and Heat Effects on the Observed Rate of Solid Catalyzed Reactions

10.7.2 Relative Importance of Concentration and Temperature Gradients in Catalyst Pellets

10.7.3 Intrapellet and External Film Trasport Limitations

10.7.4 A Criterion for Negligible Diffusion Resistance in Bidisperse Catalyst Pellets

10.8 Transport Effects on Product Selectivities in Catalytic Reactions



Chapter 11: Introduction to Catalysis and Catalytic Reaction Mechanisms

11.1 Basic Concepts in Heterogeneous Catalysis

11.2 Surface Reaction Mechanisms

11.3 Adsorption Isotherms

11.4 Deactivation of Solid Catalysts

11.5 Synthesis and Characterization of Solid Catalysts

11.5.1 Characterization Techniques



Chapter 12: Diffusion in Porous Catalysts

12.1 Diffusion in a Capillary

12.2 Effective Diffusivities in Porous Solids

12.3 Surface Diffusion

12.4 Models for the Prediction of Effective Diffusivities

12.5 Diffusion and Flow in Porous Solids

12.6 Experimental Methods for the Evaluation of Effective Diffusion Coefficients



Chapter 13: Process Intensification and Multifunctional Reactors

13.1 Membrane Reactors

13.2 Reactive Distillation

13.2.1 Equilibrium Stage Model

13.2.2 A Rate-Based Model for a Continuous Reactive Distillation Column

13.3 Sorption Enhanced Reaction Process

13.4 Monolithic and Microchannel Reactors

13.5 Chromatographic Reactors

13.6 Alternative Energy Sources for Chemical Processing


Chapter 14: Multiphase Reactors

14.1 Slurry Reactors

14.2 Trickle Bed Reactors

14.3 Fluidized Bed Reactors


Chapter 15: Kinetics and Modeling of Non-Catalytic Gas-Solid Reactions.

15.1 Unreacted Core Model

15.2 Deactivation and Structural Models for Gas-Solid Reactions

15.3 Chemical Vapor Deposition Reactors



Appendix A: Some Constants of Nature

Appendix B: Conversion Factors

Appendix C: Dimensionless Groups and Parameters
Timur DogØu, PhD, is a Professor at the Middle East Technical University. He received his doctorate from the University of California at Davis. His research is focused on reaction engineering, heterogeneous catalysis, environmental catalysis, synthesis of nanostructured mesoporous materials, transport phenomena effects on reaction rates, and process intensification.

Güls¸en DogØu, PhD, is a Professor at Gazi University. She received her doctorate from the University of California at Davis. Her research focuses on environmentally clean processes, diffusion and reaction in porous media, catalyst development and alternative fuels.

T. Dogu, Middle East Technical University, Turkey; G. Dogu, Middle East Technical University, Turkey