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by H. Scott Fogler
Essentials of Chemical Reaction Engineering, 2nd Edition
Cover Page
About This E-Book
Title Page
Copyright Page
Dedication Page
Contents
Preface
About the Author
Chapter 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-StinedTankReactor(CSTR)
1.4.2 Tubular Reactor
1.4.3 Pachd-Bed Reactor (PBR)
1.5 Industrial Reactors
Chapter 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 Pachd-Bed Reactor (PBR)
2.4 Sizing Continuous-Flow Reactors
2.5 Reactors in Series
2.5.1 CSTRs in Series
2.5.2 PFRsin 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 SpaceVelocity
Chapter 3 Rate Laws
3.1 Basic Definitions
3.1.1 Relative Rates of Reaction
3.2 The Rate Law
3.2.1 Power Law Models and Elementary Rate Laws
3.2.2 JSonelementary Rate Laws
3.2.3 Reversible Reactions
3.3 The Reaction Rate Constant
3.3.1 The Rate Constant k and Its Temperature Dependence
3.3.2 Interpretation of the Activation Energy
3.3.3 The Arrhenius Plot
3.4 Molecular Simulations
3.4.1 Historical Perspective
3.4.2 Stochastic Modeling of Reactions
3.5 Present Status of Our Approach to Reactor Sizing and Design
Chapter 4 Stoichiometry
4.1 Batch Systems
4.1.1 Batch Concentrationsfor 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
Chapter 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
5.4.1 Liquid-Phase Reactions in a PFR υ = υ0
5.4.2 Gas-Phase Reactions inaPFRv=v0(l + εΧ) (T/T0)(P0/P)
5.4.3 Effect of ε on Conversion
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 theWonier Wonders: What If...
5.6 Synthesizing the Design of a Chemical Plant
Chapter 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
6.6.3 Equilibrium Conversion
Chapter 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
7.5.1 Concentration-Time Data
7.5.2 Model Discrimination
7.6 Reaction-Rate Data from Differential Reactors
7.7 Experimental Planning
Chapter 8 Multiple Reactions
8.1 Definitions
8.1.1 Types of Reactions
8.1.2 Selectivity
8.1.3 Yield
8.1.4 Conversion
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
Chapter 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 If Two Molecules Must Collide, How Can the Rate Law Be 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
9.4.1 Cell Growth
9.4.2 RateLaws
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
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 Mass Transfer Step 1 : Diffusion from the Bulk to the External Surface of the Catalyst—An Overview
10.2.2 Mass Transfer Step 2: Internal Diffusion—An Overview
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 ChemicalVapor Deposition
10.6 Model Discrimination
10.7 Catalyst Deactivation
10.7.1 Types of Catalyst Deactivation
10.8 Reactors That Can Be Used to Help Offset Catalyst Decay
10.8.1 Temperature-Time Trajectories
10.8.2 Moving-Bed Reactors
10.8.3 Straight-Through Transport Reactors (STTR)
Chapter 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), ΔH°Rx(TR) 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 with Interstage Cooling or Heating
11.6.1 Exothermic Reactions
11.6.2 Endothermic Reactions
11.7 Optimum Feed Temperature
Chapter 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 Reactorswith Heat Exchange
12.2 Balance on the Heat-Transfer Fluid
12.2.1 Co-cunent Flow
12.2.2 CountercunentFlow
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
12.4.1 Heat Added to the Reactor, Q
12.5 Multiple Steady States (MSS)
12.5.1 Heat-RemovedTerm,R(T)
12.5.2 Heat-GeneratedTerm,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
Chapter 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 Batch and Semibatch Reactors with a Heat Exchanger
13.3.1 Startup of a CSTR
13.3.2 Semibatch Operation
13.4 Nonisothermal Multiple Reactions
Appendix 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
Appendix B Ideal Gas Constant and Conversion Factors
Appendix C Thermodynamic Relationships Involving the Equilibrium Constant
Appendix D Software Packages
D.1 Polymath
D.1.A About Polymath (http://www.umich.edu/~elements/5e/software/polymath.html)
D.1.B Polymath Tutorials (http://www.umich.edu/~elements/5e/softwarelpolymath-tutorial.html)
D.1.C Living Example Problems
D.2 Wolfram
D.3 MATLAB
D.4 Excel
D.5 COMSOL (http://www.umich.edu/~elements/5e/12chap/comsol.html)
D.6 Aspen
D.7 Visual Encyclopedia of Equipment—Reactors Section
D.8 Reactor Lab
Appendix E Rate-Law Data
Appendix F Nomenclature
Appendix 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
Appendix H Use of Computational Chemistry Software Packages
H.1 Computational Chemical Engineering
Appendix 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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