Handbook of Chemical Reactor Design, Optimization, and Scaleup

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Handbook of Chemical Reactor Design, Optimization, and Scaleup

Handbook of Chemical Reactor Design, Optimization, and Scaleup

Authors: Bruce Nauman

Published: September 2001

eISBN: 9780071395588 007139558X | ISBN: 9780071377539

Contents

Preface

Notation

1. Elementary Reactions in Ideal Reactors

1.1 Material Balances

1.2 Elementary Reactions

1.2.1 First-Order, Unimolecular Reactions

1.2.2 Second-Order Reactions, One Reactant

1.2.3 Second-Order Reactions, Two Reactants

1.2.4 Third-Order Reactions

1.3 Reaction Order and Mechanism

1.4 Ideal, Isothermal Reactors

1.4.1 The Ideal Batch Reactor

1.4.2 Piston Flow Reactors

1.4.3 Continuous-Flow Stirred Tanks

1.5 Mixing Times and Scaleup

1.6 Batch versus Flow, and Tank versus Tube

Problems

References

Suggestions for Further Reading

2. Multiple Reactions in Batch Reactors

2.1 Multiple and Nonelementary Reactions

2.2 Component Reaction Rates for Multiple Reactions

2.3 Multiple Reactions in Batch Reactors

2.4 Numerical Solutions to Sets of First-Order ODEs

2.5 Analytically Tractable Examples

2.5.1 The nth-Order Reaction

2.5.2 Consecutive First-Order Reactions, A→B→C→ ...

2.5.3 The Quasi-Steady State Hypothesis

2.5.4 Autocatalytic Reactions

2.6 Variable-Volume Batch Reactors

2.6.1 Systems with Constant Mass

2.6.2 Fed-Batch Reactors

2.7 Scaleup of Batch Reactions

2.8 Stoichiometry and Reaction Coordinates

2.8.1 Stoichiometry of Single Reactions

2.8.2 Stoichiometry of Multiple Reactions

Problems

Reference

Suggestions for Further Reading

Appendix 2: Numerical Solution of Ordinary Differential Equations

3. Isothermal Piston Flow Reactors

3.1 Piston Flow with Constant Mass Flow

3.1.1 Gas-Phase Reactions

3.1.2 Liquid-Phase Reactions

3.2 Scaleup of Tubular Reactions

3.2.1 Tubes in Parallel

3.2.2 Tubes in Series

3.2.3 Scaling with Geometric Similarity

3.2.4 Scaling with Constant Pressure Drop

3.2.5 Scaling Down

3.3 Transpired-Wall Reactors

Problems

Reference

Suggestions for Further Reading

4. Stirred Tanks and Reactor Combinations

4.1 Continuous-Flow Stirred Tank Reactors

4.2 The Method of False Transients

4.3 CSTRs with Variable Density

4.3.1 Liquid-Phase CSTRs

4.3.2 Computation Scheme for Variable-Density CSTRs

4.3.3 Gas-Phase CSTRs

4.4 Scaleup of Isothermal CSTRs

4.5 Combinations of Reactors

4.5.1 Series and Parallel Connections

4.5.2 Tanks in Series

4.5.3 Recycle Loops

Problems

Suggestions for Further Reading

Appendix 4: Solution of Simultaneous Algebraic Equations

A.4.1 Binary Searches

A.4.2 Multidimensional Newton's Method

5. Thermal Effects and Energy Balances

5.1 Temperature Dependence of Reaction Rates

5.1.1 Arrhenius Temperature Dependence

5.1.2 Optimal Temperatures for Isothermal Reactors

5.2 The Energy Balance

5.2.1 Nonisothermal Batch Reactors

5.2.2 Nonisothermal Piston Flow

5.2.3 Nonisothermal CSTRs

5.3 Scaleup of Nonisothermal Reactors

5.3.1 Avoiding Scaleup Problems

5.3.2 Scaling Up Stirred Tanks

5.3.3 Scaling Up Tubular Reactors

Problems

References

Suggestions for Further Reading

6. Design and Optimization Studies

6.1 A Consecutive Reaction Sequence

6.2 A Competitive Reaction Sequence

Problems

Suggestions for Further Reading

Appendix 6: Numerical Optimization Techniques

A.6.1 Random Searches

A.6.2 Golden Section Search

A.6.3 Sophisticated Methods for Parameter Optimization

A.6.4 Functional Optimization

7. Fitting Rate Data and Using Thermodynamics

7.1 Analysis of Rate Data

7.1.1 Least-Squares Analysis

7.1.2 Stirred Tanks and Differential Reactors

7.1.3 Batch and Piston Flow Reactors

7.1.4 Confounded Reactors

7.2 Thermodynamics of Chemical Reactions

7.2.1 Terms in the Energy Balance

7.2.2 Reaction Equilibria

Problems

References

Suggestions for Further Reading

Appendix 7.1: Linear Regression Analysis

Appendix 7.2: Code for Example 7.16

8. Real Tubular Reactors in Laminar Flow

8.1 Isothermal Laminar Flow with Negligible Diffusion

8.1.1 A Criterion for Neglecting Diffusion

8.1.2 Mixing-Cup Averages

8.1.3 A Preview of Residence Time Theory

8.2 Convective Diffusion of Mass

8.3 Numerical Solution Techniques

8.3.1 The Method of Lines

8.3.2 Euler's Method

8.3.3 Accuracy and Stability

8.3.4 The Trapezoidal Rule

8.3.5 Use of Dimensionless Variables

8.4 Slit Flow and Rectangular Coordinates

8.5 Special Velocity Profiles

8.5.1 Flat Velocity Profiles

8.5.2 Flow Between Moving Flat Plates

8.5.3 Motionless Mixers

8.6 Convective Diffusion of Heat

8.6.1 Dimensionless Equations for Heat Transfer

8.6.2 Optimal Wall Temperatures

8.7 Radial Variations in Viscosity

8.8 Radial Velocities

8.9 Variable Physical Properties

8.10 Scaleup of Laminar Flow Reactors

8.10.1 Isothermal Laminar Flow

8.10.2 Nonisothermal Laminar Flow

Problems

References

Suggestions for Further Reading

Appendix 8.1: The Convective Diffusion Equation

Appendix 8.2: Finite Difference Approximations

Appendix 8.3: Implicit Differencing Schemes

9. Real Tubular Reactors in Turbulent Flow

9.1 Packed-Bed Reactors

9.2 Turbulent Flow in Tubes

9.3 The Axial Dispersion Model

9.3.1 The Danckwerts Boundary Conditions

9.3.2 First-Order Reactions

9.3.3 Utility of the Axial Dispersion Model

9.4 Nonisothermal Axial Dispersion

9.5 Numerical Solutions to Two-Point Boundary Value Problems

9.6 Scaleup and Modeling Considerations

Problems

References

Suggestions for Further Reading

10. Heterogeneous Catalysis

10.1 Overview of Transport and Reaction Steps

10.2 Governing Equations for Transport and Reaction

10.3 Intrinsic Kinetics

10.3.1 Intrinsic Rate Expressions from Equality of Rates

10.3.2 Models Based on a Rate-Controlling Step

10.3.3 Recommended Models

10.4 Effectiveness Factors

10.4.1 Pore Diffusion

10.4.2 Film Mass Transfer

10.4.3 Nonisothermal Effectiveness

10.4.4 Deactivation

10.5 Experimental Determination of Intrinsic Kinetics

10.6 Unsteady Operation and Surface Inventories

Problems

References

Suggestions for Further Reading

11. Multiphase Reactors

11.1 Gas–Liquid and Liquid–Liquid Reactors

11.1.1 Two-Phase Stirred Tank Reactors

11.1.2 Measurement of Mass Transfer Coefficients

11.1.3 Fluid–Fluid Contacting in Piston Flow

11.1.4 Other Mixing Combinations

11.1.5 Prediction of Mass Transfer Coefficients

11.2 Three-Phase Reactors

11.2.1 Trickle-Bed Reactors

11.2.2 Gas-Fed Slurry Reactors

11.3 Moving Solids Reactors

11.3.1 Bubbling Fluidization

11.3.2 Fast Fluidization

11.3.3 Spouted Beds

11.4 Noncatalytic Fluid–Solid Reactions

11.5 Reaction Engineering for Nanotechnology

11.5.1 Microelectronics

11.5.2 Chemical Vapor Deposition

11.5.3 Self-Assembly

11.6 Scaleup of Multiphase Reactors

11.6.1 Gas–Liquid Reactors

11.6.2 Gas–Moving-Solids Reactors

Problems

References

Suggestions for Further Reading

12. Biochemical Reaction Engineering

12.1 Enzyme Catalysis

12.1.1 Michaelis-Menten and Similar Kinetics

12.1.2 Inhibition, Activation, and Deactivation

12.1.3 Immobilized Enzymes

12.1.4 Reactor Design for Enzyme Catalysis

12.2 Cell Culture

12.2.1 Growth Dynamics

12.2.2 Reactors for Freely Suspended Cells

12.2.3 Immobilized Cells

Problems

References

Suggestions for Further Reading

13. Polymer Reaction Engineering

13.1 Polymerization Reactions

13.1.1 Step-Growth Polymerizations

13.1.2 Chain-Growth Polymerizations

13.2 Molecular Weight Distributions

13.2.1 Distribution Functions and Moments

13.2.2 Addition Rules for Molecular Weight

13.2.3 Molecular Weight Measurements

13.3 Kinetics of Condensation Polymerizations

13.3.1 Conversion

13.3.2 Number and Weight Average Chain Lengths

13.3.3 Molecular Weight Distribution Functions

13.4 Kinetics of Addition Polymerizations

13.4.1 Living Polymers

13.4.2 Free-Radical Polymerizations

13.4.3 Transition Metal Catalysis

13.4.4 Vinyl Copolymerizations

13.5 Polymerization Reactors

13.5.1 Stirred Tanks with a Continuous Polymer Phase

13.5.2 Tubular Reactors with a Continuous Polymer Phase

13.5.3 Suspending-Phase Polymerizations

13.6 Scaleup Considerations

13.6.1 Binary Polycondensations

13.6.2 Self-Condensing Polycondensations

13.6.3 Living Addition Polymerizations

13.6.4 Vinyl Addition Polymerizations

Problems

Reference

Suggestions for Further Reading

Appendix 13.1: Lumped Parameter Model of a Tubular Polymerizer

Appendix 13.2: Variable-Viscosity Model for a Polycondensation in a Tubular Reactor

14. Unsteady Reactors

14.1 Unsteady Stirred Tanks

14.1.1 Transients in Isothermal CSTRs

14.1.2 Nonisothermal Stirred Tank Reactors

14.2 Unsteady Piston Flow

14.3 Unsteady Convective Diffusion

Problems

References

Suggestions for Further Reading

15. Residence Time Distributions

15.1 Residence Time Theory

15.1.1 Inert Tracer Experiments

15.1.2 Means and Moments

15.2 Residence Time Models

15.2.1 Ideal Reactors and Reactor Combinations

15.2.2 Hydrodynamic Models

15.3 Reaction Yields

15.3.1 First-Order Reactions

15.3.2 Other Reactions

15.4 Extensions of Residence Time Theory

15.4.1 Unsteady Flow Systems

15.4.2 Contact Time Distributions

15.4.3 Thermal Times

15.5 Scaleup Considerations

Problems

References

Suggestions for Further Reading

Index