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by H. Scott Fogler
Essentials of Chemical Reaction Engineering
Title Page
Copyright Page
Dedicated to
Dedicated to
Contents
Contents
Preface
Preface
B.1 To Have Fun Learning Chemical Reaction Engineering (CRE)
B.2 To Develop a Fundamental Understanding of Reaction Engineering
B.3 To Enhance Critical Thinking Skills
B.4 To Enhance Creative Thinking Skills
About the Author
About the Author
Chapter 1. Mole Balances
Chapter 1. Mole Balances
1.4.1 Continuous-Stirred Tank Reactor (CSTR)
1.4.2 Tubular Reactor
1.4.3 Packed-Bed Reactor (PBR)
Chapter 2. Conversion and Reactor Sizing
Chapter 2. Conversion and Reactor Sizing
2.3.1 CSTR (Also Known as a Backmix Reactor or a Vat)
2.3.2 Tubular Flow Reactor (PFR)
2.3.3 Packed-Bed Reactor (PBR)
2.5.1 CSTRs in Series
2.5.2 PFRs in Series
2.5.3 Combinations of CSTRs and PFRs in Series
2.5.4 Comparing the CSTR and PFR Reactor Volumes and Reactor Sequencing
2.6.1 Space Time
2.6.2 Space Velocity
Chapter 3. Rate Laws
Chapter 3. Rate Laws
3.1.1 Relative Rates of Reaction
3.2.1 Power Law Models and Elementary Rate Laws
3.2.2 Nonelementary Rate Laws
3.2.3 Reversible Reactions
Why is there an activation energy?
Chapter 4. Stoichiometry
Chapter 4. Stoichiometry
4.1.1 Equations for Batch Concentrations
4.2.1 Equations for Concentrations in Flow Systems
4.2.2 Liquid-Phase Concentrations
4.2.3 Gas Phase Concentrations
Chapter 5. Isothermal Reactor Design: Conversion
Chapter 5. Isothermal Reactor Design: Conversion
5.2.1 Batch Reaction Times
5.3.1 A Single CSTR
5.3.2 CSTRs in Series
5.5.1 Pressure Drop and the Rate Law
5.5.2 Flow Through a Packed Bed
5.5.3 Pressure Drop in Pipes
5.5.4 Analytical Solution for Reaction with Pressure Drop
Chapter 6. Isothermal Reactor Design: Molar Flow Rates
Chapter 6. Isothermal Reactor Design: Molar Flow Rates
6.2.1 Liquid Phase
6.2.2 Gas Phase
Use of Membrane Reactors to Enhance Selectivity
6.6.1 Motivation for Using a Semibatch Reactor
6.6.2 Semibatch Reactor Mole Balances
Good Alternatives (GA) on the DVD-ROM and on the Web
Chapter 7. Collection and Analysis of Rate Data
Chapter 7. Collection and Analysis of Rate Data
7.4.1 Graphical Differentiation Method
7.4.2 Finding the Rate Law Parameters
Concentration-Time Data
Model Discrimination
Chapter 8. Multiple Reactions
Chapter 8. Multiple Reactions
8.1.1 Types of Reactions
8.1.2 Selectivity
8.1.3 Yield
8.2.1 Modifications to the Chapter 6 CRE Algorithm for Multiple Reactions
8.3.1 Selectivity
8.3.2 Maximizing the Desired Product for One Reactant
8.3.3 Reactor Selection and Operating Conditions
8.5.1 Complex Reactions in a PBR
8.5.2 Multiple Reactions in a CSTR
Chapter 9. Reaction Mechanisms, Pathways, Bioreactions, and Bioreactors
Chapter 9. Reaction Mechanisms, Pathways, Bioreactions, and Bioreactors
9.1.1 Pseudo-Steady-State Hypothesis (PSSH)
9.1.2 Searching for a Mechanism
9.1.3 Chain Reactions
9.2.1 Enzyme–Substrate Complex
9.2.2 Mechanisms
9.2.3 Michaelis–Menten Equation
9.2.4 Batch Reactor Calculations for Enzyme Reactions
9.3.1 Competitive Inhibition
9.3.2 Uncompetitive Inhibition
9.3.3 Noncompetitive Inhibition (Mixed Inhibition)12
9.3.4 Substrate Inhibition
Cell Growth and Division
9.4.1 Cell Growth
9.4.2 Rate Laws
9.4.3 Stoichiometry
9.4.4 Mass Balances
9.4.5 Chemostats
9.4.6 CSTR Bioreactor Operation
9.4.7 Wash-Out
Chapter 10. Catalysis and Catalytic Reactors
Chapter 10. Catalysis and Catalytic Reactors
10.1.1 Definitions
10.1.2 Catalyst Properties
10.1.3 Catalytic Gas-Solid Interactions
10.1.4 Classification of Catalysts
Where Are We Heading?
10.2.1 Step 1 Overview: Diffusion from the Bulk to the External Surface of the Catalyst
10.2.2 Step 2 Overview: Internal Diffusion
10.2.3 Adsorption Isotherms
10.2.4 Surface Reaction
10.2.5 Desorption
10.2.6 The Rate-Limiting Step
10.3.1 Is the Adsorption of Cumene Rate-Limiting?
10.3.2 Is the Surface Reaction Rate-Limiting?
10.3.3 Is the Desorption of Benzene Rate-Limiting?
10.3.4 Summary of the Cumene Decomposition
10.3.5 Reforming Catalysts
10.3.6 Rate Laws Derived from the Pseudo-Steady-State Hypothesis (PSSH)
10.3.7 Temperature Dependence of the Rate Law
10.4.1 Deducing a Rate Law from the Experimental Data
10.4.2 Finding a Mechanism Consistent with Experimental Observations
10.4.3 Evaluation of the Rate Law Parameters
10.4.4 Reactor Design
10.5.1 Overview
10.5.2 Chemical Vapor Deposition
Chapter 11. Nonisothermal Reactor Design–The Steady State Energy Balance and Adiabatic PFR Applications
Chapter 11. Nonisothermal Reactor Design–The Steady State Energy Balance and Adiabatic PFR Applications
11.2.1 First Law of Thermodynamics
11.2.2 Evaluating the Work Term
11.2.3 Overview of Energy Balances
11.3.1 Dissecting the Steady-State Molar Flow Rates to Obtain the Heat of Reaction
11.3.2 Dissecting the Enthalpies
11.3.3 Relating ΔHRx(T), , and ΔCP
11.4.1 Adiabatic Energy Balance
11.4.2 Adiabatic Tubular Reactor
11.5.1 Equilibrium Conversion
11.5.2 Reactor Staging
Chapter 12. Steady-State Nonisothermal Reactor Design—Flow Reactors with Heat Exchange
Chapter 12. Steady-State Nonisothermal Reactor Design—Flow Reactors with Heat Exchange
12.1.1 Deriving the Energy Balance for a PFR
12.2.1 Co-Current Flow
12.2.2 Counter Current Flow
12.3.1 Applying the Algorithm to an Exothermic Reaction
12.3.2 Applying the Algorithm to an Endothermic Reaction
12.4.1 Heat Added to the Reactor,
12.5.1 Heat-Removed Term, R(T)
12.5.2 Heat-Generated Term, G(T)
12.5.3 Ignition-Extinction Curve
12.6.1 Energy Balance for Multiple Reactions in Plug-Flow Reactors
12.6.2 Parallel Reactions in a PFR
12.6.3 Energy Balance for Multiple Reactions in a CSTR
12.6.4 Series Reactions in a CSTR
12.6.5 Complex Reactions in a PFR
Chapter 13. Unsteady-State Nonisothermal Reactor Design
Chapter 13. Unsteady-State Nonisothermal Reactor Design
13.2.1 Adiabatic Operation of a Batch Reactor
13.2.2 Case History of a Batch Reactor with Interrupted Isothermal Operation Causing a Runaway Reaction
13.4.1 Startup
Appendices
Appendix A. Numerical Techniques
Appendix A. Numerical Techniques
A.3.A First-Order Ordinary Differential Equation
Appendix B. Ideal Gas Constant and Conversion Factors
Appendix B. Ideal Gas Constant and Conversion Factors
Appendix C. Thermodynamic Relationships Involving the Equilibrium Constant
Appendix C. Thermodynamic Relationships Involving the Equilibrium Constant1
Appendix D. Nomenclature
Appendix D. Nomenclature
Appendix E. Software Packages
Appendix E. Software Packages
E.1.A About Polymath
E.1.B Polymath Tutorials
Appendix F. Rate Law Data
Appendix F. Rate Law Data
Appendix G. Open-Ended Problems
Appendix G. Open-Ended Problems
Appendix H. How to Use the DVD-ROM
Appendix H. How to Use the DVD-ROM
H.2.1 Global vs. Sequential Learners
H.2.2 Active vs. Reflective Learners
H.2.3 Sensing vs. Intuitive Learners
H.2.4 Visual vs. Verbal Learners
Index
About the DVD-ROM
About the DVD-ROM
Footnotes
Footnotes
Preface
Chapter 1
Chapter 2
Chapter 3
Chapter 4
Chapter 5
Chapter 6
Chapter 7
Chapter 8
Chapter 9
Chapter 10
Chapter 11
Chapter 12
Chapter 13
Appendix C
Appendix H
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