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Essentials of Chemical Reaction Engineering, 2nd Edition

Book Description

Today’s Definitive, Undergraduate-Level Introduction to Chemical Reaction Engineering Problem-Solving

For 30 years, H. Scott Fogler’s Elements of Chemical Reaction Engineering has been the #1 selling text for courses in chemical reaction engineering worldwide. Now, in Essentials of Chemical Reaction Engineering, Second Edition, Fogler has distilled this classic into a modern, introductory-level guide specifically for undergraduates. This is the ideal resource for today’s students: learners who demand instantaneous access to information and want to enjoy learning as they deepen their critical thinking and creative problem-solving skills. Fogler successfully integrates text, visuals, and computer simulations, and links theory to practice through many relevant examples.

This updated second edition covers mole balances, conversion and reactor sizing, rate laws and stoichiometry, isothermal reactor design, rate data collection/analysis, multiple reactions, reaction mechanisms, pathways, bioreactions and bioreactors, catalysis, catalytic reactors, nonisothermal reactor designs, and more. Its multiple improvements include a new discussion of activation energy, molecular simulation, and stochastic modeling, and a significantly revamped chapter on heat effects in chemical reactors.

To promote the transfer of key skills to real-life settings, Fogler presents three styles of problems:

  1. Straightforward problems that reinforce the principles of chemical reaction engineering
  2. Living Example Problems (LEPs) that allow students to rapidly explore the issues and look for optimal solutions
  3. Open-ended problems that encourage students to use inquiry-based learning to practice creative problem-solving skills

About the Web Site (umich.edu/~elements/5e/index.html)

The companion Web site offers extensive enrichment opportunities and additional content, including 

  • Complete PowerPoint slides for lecture notes for chemical reaction engineering classes
  • Links to additional software, including Polymath, MATLAB, Wolfram Mathematica, AspenTech, and COMSOL Multiphysics
  • Interactive learning resources linked to each chapter, including Learning Objectives, Summary Notes, Web Modules, Interactive Computer Games, Computer Simulations and Experiments, Solved Problems, FAQs, and links to LearnChemE
  • Living Example Problems that provide more than 75 interactive simulations, allowing students to explore the examples and ask “what-if ” questions
  • Professional Reference Shelf, containing advanced content on reactors, weighted least squares, experimental planning, laboratory reactors, pharmacokinetics, wire gauze reactors, trickle bed reactors, fluidized bed reactors, CVD boat reactors, detailed explanations of key derivations, and more
  • Problem-solving strategies and insights on creative and critical thinking

Register your product at informit.com/register for convenient access to downloads, updates, and/or corrections as they become available.

Table of Contents

  1. Cover Page
  2. About This E-Book
  3. Title Page
  4. Copyright Page
  5. Dedication Page
  6. Contents
  7. Preface
  8. About the Author
  9. Chapter 1 Mole Balances
    1. 1.1 The Rate of Reaction, -rA
    2. 1.2 The General Mole Balance Equation
    3. 1.3 Batch Reactors (BRs)
    4. 1.4 Continuous-Flow Reactors
      1. 1.4.1 Continuous-StinedTankReactor(CSTR)
      2. 1.4.2 Tubular Reactor
      3. 1.4.3 Pachd-Bed Reactor (PBR)
    5. 1.5 Industrial Reactors
  10. Chapter 2 Conversion and Reactor Sizing
    1. 2.1 Definition of Conversion
    2. 2.2 Batch Reactor Design Equations
    3. 2.3 Design Equations for Flow Reactors
      1. 2.3.1 CSTR (Also Known as a Backmix Reactor or a Vat)
      2. 2.3.2 Tubular Flow Reactor (PFR)
      3. 2.3.3 Pachd-Bed Reactor (PBR)
    4. 2.4 Sizing Continuous-Flow Reactors
    5. 2.5 Reactors in Series
      1. 2.5.1 CSTRs in Series
      2. 2.5.2 PFRsin Series
      3. 2.5.3 Combinations of CSTRs and PFRs in Series
      4. 2.5.4 Comparing the CSTR and PFR Reactor Volumes and Reactor Sequencing
    6. 2.6 Some Further Definitions
      1. 2.6.1 Space Time
      2. 2.6.2 SpaceVelocity
  11. Chapter 3 Rate Laws
    1. 3.1 Basic Definitions
      1. 3.1.1 Relative Rates of Reaction
    2. 3.2 The Rate Law
      1. 3.2.1 Power Law Models and Elementary Rate Laws
      2. 3.2.2 JSonelementary Rate Laws
      3. 3.2.3 Reversible Reactions
    3. 3.3 The Reaction Rate Constant
      1. 3.3.1 The Rate Constant k and Its Temperature Dependence
      2. 3.3.2 Interpretation of the Activation Energy
      3. 3.3.3 The Arrhenius Plot
    4. 3.4 Molecular Simulations
      1. 3.4.1 Historical Perspective
      2. 3.4.2 Stochastic Modeling of Reactions
    5. 3.5 Present Status of Our Approach to Reactor Sizing and Design
  12. Chapter 4 Stoichiometry
    1. 4.1 Batch Systems
      1. 4.1.1 Batch Concentrationsfor the Generic Reaction, Equation (2-2)
    2. 4.2 Flow Systems
      1. 4.2.1 Equations for Concentrations in Flow Systems
      2. 4.2.2 Liquid-Phase Concentrations
      3. 4.2.3 Gas-Phase Concentrations
    3. 4.3 Reversible Reactions and Equilibrium Conversion
  13. Chapter 5 Isothermal Reactor Design: Conversion
    1. 5.1 Design Structure for Isothermal Reactors
    2. 5.2 Batch Reactors (BRs)
      1. 5.2.1 Batch Reaction Times
    3. 5.3 Continuous-Stirred Tank Reactors (CSTRs)
      1. 5.3.1 A Single CSTR
      2. 5.3.2 CSTRs in Series
    4. 5.4 Tubular Reactors
      1. 5.4.1 Liquid-Phase Reactions in a PFR υ = υ0
      2. 5.4.2 Gas-Phase Reactions inaPFRv=v0(l + εΧ) (T/T0)(P0/P)
      3. 5.4.3 Effect of ε on Conversion
    5. 5.5 Pressure Drop in Reactors
      1. 5.5.1 Pressure Drop and the Rate Law
      2. 5.5.2 Flow Through a Packed Bed
      3. 5.5.3 Pressure Drop in Pipes
      4. 5.5.4 Analytical Solution for Reaction with Pressure Drop
      5. 5.5.5 Robert theWonier Wonders: What If...
    6. 5.6 Synthesizing the Design of a Chemical Plant
  14. Chapter 6 Isothermal Reactor Design: Moles and Molar Flow Rates
    1. 6.1 The Molar Flow Rate Balance Algorithm
    2. 6.2 Mole Balances on CSTRs, PFRs, PBRs, and Batch Reactors
      1. 6.2.1 Liquid Phase
      2. 6.2.2 Gas Phase
    3. 6.3 Application of the PFR Molar Flow Rate Algorithm to a Microreactor
    4. 6.4 Membrane Reactors
    5. 6.5 Unsteady-State Operation of Stirred Reactors
    6. 6.6 Semibatch Reactors
      1. 6.6.1 Motivation for Using a Semibatch Reactor
      2. 6.6.2 Semibatch Reactor Mole Balances
      3. 6.6.3 Equilibrium Conversion
  15. Chapter 7 Collection and Analysis of Rate Data
    1. 7.1 The Algorithm for Data Analysis
    2. 7.2 Determining the Reaction Order for Each of Two Reactants Using the Method of Excess
    3. 7.3 Integral Method
    4. 7.4 Differential Method of Analysis
      1. 7.4.1 Graphical Differentiation Method
      2. 7.4.2 Numerical Method
      3. 7.4.3 Finding the Rate-Law Parameters
    5. 7.5 Nonlinear Regression
      1. 7.5.1 Concentration-Time Data
      2. 7.5.2 Model Discrimination
    6. 7.6 Reaction-Rate Data from Differential Reactors
    7. 7.7 Experimental Planning
  16. Chapter 8 Multiple Reactions
    1. 8.1 Definitions
      1. 8.1.1 Types of Reactions
      2. 8.1.2 Selectivity
      3. 8.1.3 Yield
      4. 8.1.4 Conversion
    2. 8.2 Algorithm for Multiple Reactions
      1. 8.2.1 Modifications to the Chapter 6 CRE Algorithm for Multiple Reactions
    3. 8.3 Parallel Reactions
      1. 8.3.1 Selectivity
      2. 8.3.2 Maximizing the Desired Product for One Reactant
      3. 8.3.3 Reactor Selection and Operating Conditions
    4. 8.4 Reactions in Series
    5. 8.5 Complex Reactions
      1. 8.5.1 Complex Gas-Phase Reactions in a PBR
      2. 8.5.2 Complex Liquid-Phase Reactions in a CSTR
      3. 8.5.3 Complex Liquid-Phase Reactions in a Semibatch Reactor
    6. 8.6 Membrane Reactors to Improve Selectivity in Multiple Reactions
    7. 8.7 Sorting It All Out
    8. 8.8 The Fun Part
  17. Chapter 9 Reaction Mechanisms, Pathways, Bioreactions, and Bioreactors
    1. 9.1 Active Intermediates and Nonelementary Rate Laws
      1. 9.1.1 Pseudo-Steady-State Hypothesis (PSSH)
      2. 9.1.2 If Two Molecules Must Collide, How Can the Rate Law Be First Order?
      3. 9.1.3 Searching for a Mechanism
      4. 9.1.4 Chain Reactions
    2. 9.2 Enzymatic Reaction Fundamentals
      1. 9.2.1 Enzyme-Substrate Complex
      2. 9.2.2 Mechanisms
      3. 9.2.3 Michaelis-Menten Equation
      4. 9.2.4 Batch-Reactor Calculations for Enzyme Reactions
    3. 9.3 Inhibition of Enzyme Reactions
      1. 9.3.1 Competitive Inhibition
      2. 9.3.2 Uncompetitive Inhibition
      3. 9.3.3 Noncompetitive Inhibition (Mixed Inhibition)
      4. 9.3.4 Substrate Inhibition
    4. 9.4 Bioreactors and Biosynthesis
      1. 9.4.1 Cell Growth
      2. 9.4.2 RateLaws
      3. 9.4.3 Stoichiometry
      4. 9.4.4 Mass Balances
      5. 9.4.5 Chemostats
      6. 9.4.6 CSTR Bioreactor Operation
      7. 9.4.7 Wash-Out
  18. Chapter 10 Catalysis and Catalytic Reactors
    1. 10.1 Catalysts
      1. 10.1.1 Definitions
      2. 10.1.2 Catalyst Properties
      3. 10.1.3 Catalytic Gas-Solid Interactions
      4. 10.1.4 Classification of Catalysts
    2. 10.2 Steps in a Catalytic Reaction
      1. 10.2.1 Mass Transfer Step 1 : Diffusion from the Bulk to the External Surface of the Catalyst—An Overview
      2. 10.2.2 Mass Transfer Step 2: Internal Diffusion—An Overview
      3. 10.2.3 Adsorption Isotherms
      4. 10.2.4 Surface Reaction
      5. 10.2.5 Desorption
      6. 10.2.6 The Rate-Limiting Step
    3. 10.3 Synthesizing a Rate Law, Mechanism, and Rate-Limiting Step
      1. 10.3.1 Is the Adsorption of Cumene Rate-Limiting?
      2. 10.3.2 Is the Surface Reaction Rate-Limiting?
      3. 10.3.3 Is the Desorption of Benzene Rate-Limiting?
      4. 10.3.4 Summary of the Cumene Decomposition
      5. 10.3.5 Reforming Catalysts
      6. 10.3.6 Rate Laws Derived from the Pseudo-Steady-State Hypothesis (PSSH)
      7. 10.3.7 Temperature Dependence of the Rate Law
    4. 10.4 Heterogeneous Data Analysis for Reactor Design
      1. 10.4.1 Deducing a Rate Law from the Experimental Data
      2. 10.4.2 Finding a Mechanism Consistent with Experimental Observations
      3. 10.4.3 Evaluation of the Rate-Law Parameters
      4. 10.4.4 Reactor Design
    5. 10.5 Reaction Engineering in Microelectronic Fabrication
      1. 10.5.1 Overview
      2. 10.5.2 ChemicalVapor Deposition
    6. 10.6 Model Discrimination
    7. 10.7 Catalyst Deactivation
      1. 10.7.1 Types of Catalyst Deactivation
    8. 10.8 Reactors That Can Be Used to Help Offset Catalyst Decay
      1. 10.8.1 Temperature-Time Trajectories
      2. 10.8.2 Moving-Bed Reactors
      3. 10.8.3 Straight-Through Transport Reactors (STTR)
  19. Chapter 11 Nonisothermal Reactor Design-The Steady-State Energy Balance and Adiabatic PFR Applications
    1. 11.1 Rationale
    2. 11.2 The Energy Balance
      1. 11.2.1 First Law of Thermodynamics
      2. 11.2.2 Evaluating the Work Term
      3. 11.2.3 Overview of Energy Balances
    3. 11.3 The User-Friendly Energy Balance Equations
      1. 11.3.1 Dissecting the Steady-State Molar Flow Rates to Obtain the Heat of Reaction
      2. 11.3.2 Dissecting the Enthalpies
      3. 11.3.3 Relating ΔHRx(T), ΔH°Rx(TR) and ΔCP
    4. 11.4 Adiabatic Operation
      1. 11.4.1 Adiabatic Energy Balance
      2. 11.4.2 Adiabatic Tubular Reactor
    5. 11.5 Adiabatic Equilibrium Conversion
      1. 11.5.1 Equilibrium Conversion
    6. 11.6 Reactor Staging with Interstage Cooling or Heating
      1. 11.6.1 Exothermic Reactions
      2. 11.6.2 Endothermic Reactions
    7. 11.7 Optimum Feed Temperature
  20. Chapter 12 Steady-State Nonisothermal Reactor Design—Flow Reactors with Heat Exchange
    1. 12.1 Steady-State Tubular Reactor with Heat Exchange
      1. 12.1.1 Deriving the Energy Balance for a PFR
      2. 12.1.2 Applying the Algorithm to Flow Reactorswith Heat Exchange
    2. 12.2 Balance on the Heat-Transfer Fluid
      1. 12.2.1 Co-cunent Flow
      2. 12.2.2 CountercunentFlow
    3. 12.3 Algorithm for PFR/PBR Design with Heat Effects
      1. 12.3.1 Applying the Algorithm to an Exothermic Reaction
      2. 12.3.2 Applying the Algorithm to an Endothermic Reaction
    4. 12.4 CSTR with Heat Effects
      1. 12.4.1 Heat Added to the Reactor, Q
    5. 12.5 Multiple Steady States (MSS)
      1. 12.5.1 Heat-RemovedTerm,R(T)
      2. 12.5.2 Heat-GeneratedTerm,G(T)
      3. 12.5.3 Ignition-Extinction Curve
    6. 12.6 Nonisothermal Multiple Chemical Reactions
      1. 12.6.1 Energy Balance for Multiple Reactions in Plug-Flow Reactors
      2. 12.6.2 Parallel Reactions in a PFR
      3. 12.6.3 Energy Balance for Multiple Reactions in a CSTR
      4. 12.6.4 Series Reactions in a CSTR
      5. 12.6.5 Complex Reactions in a PFR
    7. 12.7 Radial and Axial Variations in a Tubular Reactor
      1. 12.7.1 Molar Flux
      2. 12.7.2 Energy Flux
      3. 12.7.3 Energy Balance
    8. 12.8 Safety
  21. Chapter 13 Unsteady-State Nonisothermal Reactor Design
    1. 13.1 The Unsteady-State Energy Balance
    2. 13.2 Energy Balance on Batch Reactors (BRs)
      1. 13.2.1 Adiabatic Operation of a Batch Reactor
      2. 13.2.2 Case History of a Batch Reactor with Interrupted Isothermal Operation Causing a Runaway Reaction
    3. 13.3 Batch and Semibatch Reactors with a Heat Exchanger
      1. 13.3.1 Startup of a CSTR
      2. 13.3.2 Semibatch Operation
    4. 13.4 Nonisothermal Multiple Reactions
  22. Appendix A Numerical Techniques
    1. A.1 Useful Integrals in Reactor Design
    2. A.2 Equal-Area Graphical Differentiation
    3. A.3 Solutions to Differential Equations
      1. A.3.A First-Order Ordinary Differential Equations
      2. A.3.B Coupled Differential Equations
      3. A.3.C Second-Order Ordinary Differential Equations
      4. A.4 Numerical Evaluation of Integrals
      5. A.5 Semilog Graphs
      6. A.6 Software Packages
  23. Appendix B Ideal Gas Constant and Conversion Factors
  24. Appendix C Thermodynamic Relationships Involving the Equilibrium Constant
  25. Appendix D Software Packages
    1. D.1 Polymath
      1. D.1.A About Polymath (http://www.umich.edu/~elements/5e/software/polymath.html)
      2. D.1.B Polymath Tutorials (http://www.umich.edu/~elements/5e/softwarelpolymath-tutorial.html)
      3. D.1.C Living Example Problems
    2. D.2 Wolfram
    3. D.3 MATLAB
    4. D.4 Excel
    5. D.5 COMSOL (http://www.umich.edu/~elements/5e/12chap/comsol.html)
    6. D.6 Aspen
    7. D.7 Visual Encyclopedia of Equipment—Reactors Section
    8. D.8 Reactor Lab
  26. Appendix E Rate-Law Data
  27. Appendix F Nomenclature
  28. Appendix G Open-Ended Problems
    1. G.1 Design of Reaction Engineering Experiment
    2. G.2 Effective Lubricant Design
    3. G.3 Peach Bottom Nuclear Reactor
    4. G.4 Underground Wet Oxidation
    5. G.5 Hydrodesulfurization Reactor Design
    6. G.6 Continuous Bioprocessing
    7. G.7 Methanol Synthesis
    8. G.8 Cajun Seafood Gumbo
    9. G.9 Alcohol Metabolism
    10. G.10 Methanol Poisoning
  29. Appendix H Use of Computational Chemistry Software Packages
    1. H.1 Computational Chemical Engineering
  30. Appendix I How to Use the CRE Web Resources
    1. I.1 CRE Web Resources Components
    2. I.2 How the Web Can Help Your Learning Style
      1. I.2.1 Global vs. Sequential Learners
      2. I.2.2 Active vs. Reflective Learners
      3. I.2.3 Sensing vs. Intuitive Learners
      4. I.2.4 Visual vs. Verbal Learners
    3. I.3 Navigation
  31. Index