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by H. Scott Fogler
Elements of Chemical Reaction Engineering, Fifth Edition
About This E-Book
Title Page
Copyright Page
Dedication Page
Contents
Preface
A. Who Is the Intended Audience?
B. What Are the Goals of This Book?
B.1 To Have Fun Learning Chemical Reaction Engineering (CRE)
B.2 To Develop a Fundamental Understanding of Reaction Engineering
B.3. To Enhance Thinking Skills
C. What Is the Structure of CRE?
C.1 What Are the Concepts that Form the Foundation of CRE?
C.2 What Is the Sequence of Topics in which This Book Can Be Used?
D. What Are the Components of the CRE Web Site?
D.1 Expanded Material
D.2 Learning Resources
D.3 Professional Reference Shelf
E. Why Do We Assign Homework Problems?
F. What Is a Living Example Problem (LEP)?
G. What Software Is Available to Solve the LEPs?
H. Are There Other Web Site Resources?
I. How Can Critical Thinking and Creative Thinking Skills Be Enhanced?
I.1. Enhance Critical Thinking Skills
I.2 Enhance Creative Thinking Skills
J. What’s New in This Edition?
J.1 Pedagogy
J.2 Content
K. How Do I Say Thank You?
About the Author
1. Mole Balances
1.1 The Rate of Reaction, –rA
1.2 The General Mole Balance Equation
1.3 Batch Reactors (BRs)
1.4 Continuous-Flow Reactors
1.4.1 Continuous-Stirred Tank Reactor (CSTR)
1.4.2 Tubular Reactor
1.4.3 Packed-Bed Reactor (PBR)
1.5 Industrial Reactors
Summary
CRE Web Site Materials
Questions and Problems
Questions
Problems
Supplementary Reading
2. Conversion and Reactor Sizing
2.1 Definition of Conversion
2.2 Batch Reactor Design Equations
2.3 Design Equations for Flow Reactors
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)
2.4 Sizing Continuous-Flow Reactors
2.5 Reactors in Series
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 Some Further Definitions
2.6.1 Space Time
2.6.2 Space Velocity
Summary
Summary
CRE Web Site
Questions and Problems
Questions
Problems
Supplementary Reading
3. Rate Laws
3.1 Basic Definitions
3.1.1 Relative Rates of Reaction
3.2 The Reaction Order and the Rate Law
3.2.1 Power Law Models and Elementary Rate Laws
3.2.2 Nonelementary Rate Laws
3.2.3 Reversible Reactions
3.3 Rates and the Reaction Rate Constant
3.3.1 The Rate Constant k
3.3.2 The Arrhenius Plot
3.4 Present Status of Our Approach to Reactor Sizing and Design
Summary
CRE Web Site Materials
Questions and Problems
Questions
Problems
Supplementary Reading
4. Stoichiometry
4.1 Batch Systems
4.1.1 Batch Concentrations for the Generic Reaction, Equation (2-2)
4.2 Flow Systems
4.2.1 Equations for Concentrations in Flow Systems
4.2.2 Liquid-Phase Concentrations
4.2.3 Gas-Phase Concentrations
4.3 Reversible Reactions and Equilibrium Conversion
Summary
CRE Web Site Materials
Questions and Problems
Questions
Problems
Supplementary Reading
5. Isothermal Reactor Design: Conversion
5.1 Design Structure for Isothermal Reactors
5.2 Batch Reactors (BRs)
5.2.1 Batch Reaction Times
5.3 Continuous-Stirred Tank Reactors (CSTRs)
5.3.1 A Single CSTR
5.3.2 CSTRs in Series
5.4 Tubular Reactors
5.5 Pressure Drop in Reactors
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
5.5.5 Robert the Worrier Wonders: What If...
5.6 Synthesizing the Design of a Chemical Plant
Summary
ODE Solver Algorithm
CRE Web Site Materials
Questions and Problems
Questions
Problems
Supplementary Reading
6. Isothermal Reactor Design: Moles and Molar Flow Rates
6.1 The Molar Flow Rate Balance Algorithm
6.2 Mole Balances on CSTRs, PFRs, PBRs, and Batch Reactors
6.2.1 Liquid Phase
6.2.2 Gas Phase
6.3 Application of the PFR Molar Flow Rate Algorithm to a Microreactor
6.4 Membrane Reactors
6.5 Unsteady-State Operation of Stirred Reactors
6.6 Semibatch Reactors
6.6.1 Motivation for Using a Semibatch Reactor
6.6.2 Semibatch Reactor Mole Balances
Summary
ODE Solver Algorithm
CRE Web Site Materials
Questions and Problems
Questions
Problems
Supplementary Reading
7. Collection and Analysis of Rate Data
7.1 The Algorithm for Data Analysis
7.2 Determining the Reaction Order for Each of Two Reactants Using the Method of Excess
7.3 Integral Method
7.4 Differential Method of Analysis
7.4.1 Graphical Differentiation Method
7.4.2 Numerical Method
7.4.3 Finding the Rate-Law Parameters
7.5 Nonlinear Regression
7.6 Reaction-Rate Data from Differential Reactors
7.7 Experimental Planning
Summary
CRE Web Site Materials
Questions and Problems
Questions
Problems
Supplementary Reading
8. Multiple Reactions
8.1 Definitions
8.1.1 Types of Reactions
8.1.2 Selectivity
8.1.3 Yield
8.2 Algorithm for Multiple Reactions
8.2.1 Modifications to the Chapter 6 CRE Algorithm for Multiple Reactions
8.3 Parallel Reactions
8.3.1 Selectivity
8.3.2 Maximizing the Desired Product for One Reactant
8.3.3 Reactor Selection and Operating Conditions
8.4 Reactions in Series
8.5 Complex Reactions
8.5.1 Complex Gas-Phase Reactions in a PBR
8.5.2 Complex Liquid-Phase Reactions in a CSTR
8.5.3 Complex Liquid-Phase Reactions in a Semibatch Reactor
8.6 Membrane Reactors to Improve Selectivity in Multiple Reactions
8.7 Sorting It All Out
8.8 The Fun Part
Summary
CRE Web Site Materials
Questions and Problems
Questions
Problems
Supplementary Reading
9. Reaction Mechanisms, Pathways, Bioreactions, and Bioreactors
9.1 Active Intermediates and Nonelementary Rate Laws
9.1.1 Pseudo-Steady-State Hypothesis (PSSH)
9.1.2 Why Is the Rate Law First Order?
9.1.3 Searching for a Mechanism
9.1.4 Chain Reactions
9.2 Enzymatic Reaction Fundamentals
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 Inhibition of Enzyme Reactions
9.3.1 Competitive Inhibition
9.3.2 Uncompetitive Inhibition
9.3.3 Noncompetitive Inhibition (Mixed Inhibition)
9.3.4 Substrate Inhibition
9.4 Bioreactors and Biosynthesis
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
Summary
CRE Web Site Materials
Problems
Supplementary Reading
Web
Text
10. Catalysis and Catalytic Reactors
10.1 Catalysts
10.1.1 Definitions
10.1.2 Catalyst Properties
10.1.3 Catalytic Gas-Solid Interactions
10.1.4 Classification of Catalysts
10.2 Steps in a Catalytic Reaction
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 Synthesizing a Rate Law, Mechanism, and 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 Heterogeneous Data Analysis for Reactor Design
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 Reaction Engineering in Microelectronic Fabrication
10.5.1 Overview
10.5.2 Chemical Vapor Deposition
10.6 Model Discrimination
10.7 Catalyst Deactivation
10.7.1 Types of Catalyst Deactivation
10.7.2 Reactors That Can Be Used to Help Offset Catalyst Decay
10.7.3 Temperature–Time Trajectories
10.7.4 Moving-Bed Reactors
10.7.5 Straight-Through Transport Reactors (STTR)
Summary
CRE Web Site Materials
Questions and Problems
Questions
Problems
Supplementary Reading
11. Nonisothermal Reactor Design—The Steady-State Energy Balance and Adiabatic PFR Applications
11.1 Rationale
11.2 The Energy Balance
11.2.1 First Law of Thermodynamics
11.2.2 Evaluating the Work Term
11.2.3 Overview of Energy Balances
11.3 The User-Friendly Energy Balance Equations
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 Adiabatic Operation
11.4.1 Adiabatic Energy Balance
11.4.2 Adiabatic Tubular Reactor
11.5 Adiabatic Equilibrium Conversion
11.5.1 Equilibrium Conversion
11.6 Reactor Staging
11.6.1 Reactor Staging with Interstage Cooling or Heating
11.6.2 Exothermic Reactions
11.6.3 Endothermic Reactions
11.7 Optimum Feed Temperature
Summary
CRE Web Site Materials
Questions and Problems
Questions
Problems
Supplementary Reading
12. Steady-State Nonisothermal Reactor Design—Flow Reactors with Heat Exchange
12.1 Steady-State Tubular Reactor with Heat Exchange
12.1.1 Deriving the Energy Balance for a PFR
12.1.2 Applying the Algorithm to Flow Reactors with Heat Exchange
12.2 Balance on the Heat-Transfer Fluid
12.2.1 Co-current Flow
12.2.2 Countercurrent Flow
12.3 Algorithm for PFR/PBR Design with Heat Effects
12.3.1 Applying the Algorithm to an Exothermic Reaction
12.3.2 Applying the Algorithm to an Endothermic Reaction
12.4 CSTR with Heat Effects
The Term in the CSTR
12.4.1 Heat Added to the Reactor,
12.5 Multiple Steady States (MSS)
12.5.1 Heat-Removed Term, R(T)
12.5.2 Heat-Generated Term, G(T)
12.5.3 Ignition-Extinction Curve
12.6 Nonisothermal Multiple Chemical Reactions
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
12.7 Radial and Axial Variations in a Tubular Reactor
12.7.1 Molar Flux
12.7.2 Energy Flux
12.7.3 Energy Balance
12.8 Safety
Summary
CRE Web Site Materials
Questions and Problems
Questions
Problems
Supplementary Reading
13. Unsteady-State Nonisothermal Reactor Design
13.1 The Unsteady-State Energy Balance
13.2 Energy Balance on Batch Reactors (BRs)
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
13.3 Semibatch Reactors with a Heat Exchanger
13.4 Unsteady Operation of a CSTR
13.4.1 Startup
13.5 Nonisothermal Multiple Reactions
Summary
CRE Web Site Materials
Questions and Problems
Questions
Problems
Supplementary Reading
14. Mass Transfer Limitations in Reacting Systems
14.1 Diffusion Fundamentals
Where are we going ??:†
14.1.1 Definitions
14.1.2 Molar Flux
14.1.3 Fick’s First Law
14.2 Binary Diffusion
14.2.1 Evaluating the Molar Flux
14.2.2 Diffusion and Convective Transport
14.2.3 Boundary Conditions
14.2.4 Temperature and Pressure Dependence of DAB
14.2.5 Steps in Modeling Diffusion to a Reacting Surface
14.2.6 Modeling Diffusion with Chemical Reaction
14.3 Diffusion Through a Stagnant Film
14.4 The Mass Transfer Coefficient
14.4.1 Correlations for the Mass Transfer Coefficient
14.4.2 Mass Transfer to a Single Particle
14.4.3 Mass Transfer–Limited Reactions in Packed Beds
14.4.4 Robert the Worrier
14.5 What If . . . ? (Parameter Sensitivity)
Summary
CRE Web Site Materials
Questions and Problems
Questions
Problems
Journal Critique Problems
Supplementary Reading
15. Diffusion and Reaction
15.1 Diffusion and Reactions in Homogeneous Systems
15.2 Diffusion and Reactions in Spherical Catalyst Pellets
15.2.1 Effective Diffusivity
15.2.2 Derivation of the Differential Equation Describing Diffusion and Reaction in a Single Catalyst Pellet
15.2.3 Writing the Diffusion with the Catalytic Reaction Equation in Dimensionless Form
15.2.4 Solution to the Differential Equation for a First-Order Reaction
15.3 The Internal Effectiveness Factor
15.3.1 Isothermal First-Order Catalytic Reactions
15.3.2 Effectiveness Factors with Volume Change with Reaction
15.3.3 Internal Diffusion Limited Reactions Other Than First Order
15.3.4 Weisz–Prater Criterion for Internal Diffusion Limitations
15.4 Falsified Kinetics
15.5 Overall Effectiveness Factor
15.6 Estimation of Diffusion- and Reaction-Limited Regimes
15.6.1 Mears Criterion for External Diffusion Limitations
15.7 Mass Transfer and Reaction in a Packed Bed
15.8 Determination of Limiting Situations from Reaction-Rate Data
15.9 Multiphase Reactors in the Professional Reference Shelf
15.9.1 Slurry Reactors
15.9.2 Trickle Bed Reactors
15.10 Fluidized Bed Reactors
15.11 Chemical Vapor Deposition (CVD)
Summary
CRE Web Site Materials
Questions and Problems
Questions
Problems
Journal Critique Problems
Supplementary Reading
16. Residence Time Distributions of Chemical Reactors
16.1 General Considerations
16.1.1 Residence Time Distribution (RTD) Function
16.2 Measurement of the RTD
16.2.1 Pulse Input Experiment
16.2.2 Step Tracer Experiment
16.3 Characteristics of the RTD
16.3.1 Integral Relationships
16.3.2 Mean Residence Time
16.3.3 Other Moments of the RTD
16.3.4 Normalized RTD Function, E(Θ)
16.3.5 Internal-Age Distribution, I(α)
16.4 RTD in Ideal Reactors
16.4.1 RTDs in Batch and Plug-Flow Reactors
16.4.2 Single-CSTR RTD
16.4.3 Laminar-Flow Reactor (LFR)
16.5 PFR/CSTR Series RTD
16.6 Diagnostics and Troubleshooting
16.6.1 General Comments
16.6.2 Simple Diagnostics and Troubleshooting Using the RTD for Ideal Reactors
Summary
Summary
Summary
CRE Web Site Materials
Questions and Problems
Questions
Problems
Supplementary Reading
17. Predicting Conversion Directly from the Residence Time Distribution
17.1 Modeling Nonideal Reactors Using the RTD
17.1.1 Modeling and Mixing Overview
17.1.2 Mixing
17.2 Zero-Adjustable-Parameter Models
17.2.1 Segregation Model
17.2.2 Maximum Mixedness Model
17.3 Using Software Packages
Maximum Mixedness Model
17.3.1 Comparing Segregation and Maximum Mixedness Predictions
17.4 RTD and Multiple Reactions
17.4.1 Segregation Model
17.4.2 Maximum Mixedness
Summary
CRE Web Site Materials
Questions and Problems
Questions
Problems
Supplementary Reading
18. Models for Nonideal Reactors
18.1 Some Guidelines for Developing Models
18.1.1 One-Parameter Models
18.1.2 Two-Parameter Models
18.2 The Tanks-in-Series (T-I-S) One-Parameter Model
18.2.1 Developing the E-Curve for the T-I-S Model
18.2.2 Calculating Conversion for the T-I-S Model
18.2.3 Tanks-in-Series versus Segregation for a First-Order Reaction
18.3 Dispersion One-Parameter Model
18.4 Flow, Reaction, and Dispersion
18.4.1 Balance Equations
18.4.2 Boundary Conditions
18.4.3 Finding Da and the Peclet Number
18.4.4 Dispersion in a Tubular Reactor with Laminar Flow
18.4.5 Correlations for Da
18.4.6 Experimental Determination of Da
18.5 Tanks-in-Series Model versus Dispersion Model
18.6 Numerical Solutions to Flows with Dispersion and Reaction
18.7 Two-Parameter Models—Modeling Real Reactors with Combinations of Ideal Reactors
18.7.1 Real CSTR Modeled Using Bypassing and Dead Space
18.7.2 Real CSTR Modeled as Two CSTRs with Interchange
18.8 Use of Software Packages to Determine the Model Parameters
18.9 Other Models of Nonideal Reactors Using CSTRs and PFRs
18.10 Applications to Pharmacokinetic Modeling
Summary
CRE Web Site Materials
Questions and problems
Questions
Problems
Supplementary Reading
A. Numerical Techniques
A.1 Useful Integrals in Reactor Design
A.2 Equal-Area Graphical Differentiation
A.3 Solutions to Differential Equations
A.3.A First-Order Ordinary Differential Equations
A.3.B Coupled Differential Equations
A.3.C Second-Order Ordinary Differential Equations
A.4 Numerical Evaluation of Integrals
A.5 Semilog Graphs
A.6 Software Packages
B. Ideal Gas Constant and Conversion Factors
C. Thermodynamic Relationships Involving the Equilibrium Constant
D. Software Packages
D.1 Polymath
D.1.A About Polymath
D.1.B Polymath Tutorials
D.2 MATLAB
D.3 Aspen
D.4 COMSOL Multiphysics
E. Rate-Law Data
F. Nomenclature
Subscripts
Greek Symbols
G. Open-Ended Problems
G.1 Design of Reaction Engineering Experiment
G.2 Effective Lubricant Design
G.3 Peach Bottom Nuclear Reactor
G.4 Underground Wet Oxidation
G.5 Hydrodesulfurization Reactor Design
G.6 Continuous Bioprocessing
G.7 Methanol Synthesis
G.8 Cajun Seafood Gumbo
G.9 Alcohol Metabolism
G.10 Methanol Poisoning
H. Use of Computational Chemistry Software Packages
H.1 Computational Chemical Engineering
I. How to Use the CRE Web Resources
I.1 CRE Web Resources Components
I.2 How the Web Can Help Your Learning Style
I.2.1 Global vs. Sequential Learners
I.2.2 Active vs. Reflective Learners
I.2.3 Sensing vs. Intuitive Learners
I.2.4 Visual vs. Verbal Learners
I.3 Navigation
Index
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