Chemical reactor design, optimization, and scaleup.pdf

CHEMICAL REACTOR

DESIGN, OPTIMIZATION,

AND SCALEUP

CHEMICAL REACTOR

DESIGN, OPTIMIZATION,

AND SCALEUP

E. Bruce Nauman

Rensselaer Polytechnic Institute

Troy, New York

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DOI: 10.1036/007139558X

CONTENTS

Preface xiii

Notation xv

1. Elementary Reactions in Ideal Reactors

1.1 Material Balances 1

1.2 Elementary Reactions 4

1.2.1 First-Order, Unimolecular Reactions 6

1.2.2 Second-Order Reactions, One Reactant 7

1.2.3 Second-Order Reactions, Two Reactants 7

1.2.4 Third-Order Reactions 7

1.3 Reaction Order and Mechanism 8

1.4 Ideal, Isothermal Reactors 10

1.4.1 The Ideal Batch Reactor 10

1.4.2 Piston Flow Reactors 17

1.4.3 Continuous-Flow Stirred Tanks 22

1.5 Mixing Times and Scaleup 25

1.6 Batch versus Flow, and Tank versus Tube 28

Problems 30

References 33

Suggestions for Further Reading 33

2. Multiple Reactions in Batch Reactors

2.1 Multiple and Nonelementary Reactions 35

2.2 Component Reaction Rates for Multiple Reactions 37

2.3 Multiple Reactions in Batch Reactors 38

2.4 Numerical Solutions to Sets of First-Order ODEs 39

2.5 Analytically Tractable Examples 46

2.5.1 The nth-Order Reaction 46

2.5.2 Consecutive First-Order Reactions, A ! B ! C ! 47

2.5.3 The Quasi-Steady State Hypothesis 49

2.5.4 Autocatalytic Reactions 54

2.6 Variable-Volume Batch Reactors 58

2.6.1 Systems with Constant Mass 58

2.6.2 Fed-Batch Reactors 64

2.7 Scaleup of Batch Reactions 65

2.8 Stoichiometry and Reaction Coordinates 66

2.8.1 Stoichiometry of Single Reactions 66

2.8.2 Stoichiometry of Multiple Reactions 67

Problems 71

CONTENTS

Reference 76

Suggestions for Further Reading 76

Appendix 2: Numerical Solution of Ordinary Diﬀerential Equations 77

3. Isothermal Piston Flow Reactors

3.1 Piston Flow with Constant Mass Flow 82

3.1.1 Gas-Phase Reactions 86

3.1.2 Liquid-Phase Reactions 95

3.2 Scaleup of Tubular Reactions 99

3.2.1 Tubes in Parallel 100

3.2.2 Tubes in Series 101

3.2.3 Scaling with Geometric Similarity 106

3.2.4 Scaling with Constant Pressure Drop 108

3.2.5 Scaling Down 109

3.3 Transpired-Wall Reactors 111

Problems 113

Reference 116

Suggestions for Further Reading 116

4. Stirred Tanks and Reactor Combinations

117

4.1 Continuous-Flow Stirred Tank Reactors 117

4.2 The Method of False Transients 119

4.3 CSTRs with Variable Density 123

4.3.1 Liquid-Phase CSTRs 123

4.3.2 Computation Scheme for Variable-Density CSTRs 125

4.3.3 Gas-Phase CSTRs 127

4.4 Scaleup of Isothermal CSTRs 131

4.5 Combinations of Reactors 133

4.5.1 Series and Parallel Connections 134

4.5.2 Tanks in Series 137

4.5.3 Recycle Loops 139

Problems 142

Suggestions for Further Reading 146

Appendix 4: Solution of Simultaneous Algebraic Equations 146

A.4.1 Binary Searches 146

A.4.2 Multidimensional Newton’s Method 147

5. Thermal Effects and Energy Balances

151

5.1 Temperature Dependence of Reaction Rates 151

5.1.1 Arrhenius Temperature Dependence 151

5.1.2 Optimal Temperatures for Isothermal Reactors 154

5.2 The Energy Balance 158

5.2.1 Nonisothermal Batch Reactors 160

5.2.2 Nonisothermal Piston Flow 163

5.2.3 Nonisothermal CSTRs 167

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