Elements Of Chemical Reaction Engineering

Hardcover | August 23, 2005

byH. Scott Fogler

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The Definitive, Fully Updated Guide to Solving Real-World Chemical Reaction Engineering Problems

The fourth edition of Elements of Chemical Reaction Engineering is a completely revised version of the worldwide best-selling book. It combines authoritative coverage of the principles of chemical reaction engineering with an unsurpassed focus on critical thinking and creative problem solving, employing open-ended questions and stressing the Socratic method. Clear and superbly organized, it integrates text, visuals, and computer simulations to help readers solve even the most challenging problems through reasoning, rather than by memorizing equations.

Thorough coverage of the fundamentals of chemical reaction engineering forms the backbone of this trusted text. To enhance the transfer of core skills to real-life settings, three styles of problems are included for each subject

  1. Straightforward problems that reinforce the material
  2. Problems that allow students to explore the issues and look for optimum solutions
  3. Open-ended problems that encourage students to practice creative problem-solving skills

H. Scott Fogler has updated his classic text to provide even more coverage of bioreactions, industrial chemistry with real reactors and reactions, and an even broader range of applications, along with the newest digital techniques, such as FEMLAB. The fourth edition of Elements of Chemical Reaction Engineering contains wide-ranging examples—from smog to blood clotting, ethylene oxide production to tissue engineering, antifreeze to cobra bites, and computer chip manufacturing to chemical plant safety.

About the CD-ROM

The CD-ROM offers numerous enrichment opportunities for both students and instructors, including the following Learning Resources:

  • Summary Notes: Chapter-specific interactive material to address the different learning styles in the Felder/Solomon learning-style index
  • Learning Resources: Web modules, reactor lab modules, interactive computer modules, solved problems, and problem-solving heuristics
  • Living Example Problems: More than fifty-five interactive simulations in POLYMATH software, which allow students to explore the examples and ask “what-if” questions
  • Professional Reference Shelf: Advanced content, ranging from collision and transition state theory to aerosol reactors, DFT, runaway reactions, and pharmacokinetics
  • Additional Study Materials: Extra homework problems, course syllabi, and Web links to related material
  • Latest Software to Solve “Digital Age” Problems: FEMLAB to solve PDEs for the axial and radial concentration and temperature profiles, and Polymath to do regression, solve nonlinear equations, and solve single and coupled ODEs

Throughout the book, icons help readers link concepts and procedures to the material on the CD-ROM for fully integrated learning and reference.



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The Definitive, Fully Updated Guide to Solving Real-World Chemical Reaction Engineering Problems The fourth edition of Elements of Chemical Reaction Engineering is a completely revised version of the worldwide best-selling book. It combines authoritative coverage of the principles of chemical reaction engineering with an unsurpassed...

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The Definitive, Fully Updated Guide to Solving Real-World Chemical Reaction Engineering Problems The fourth edition of Elements of Chemical Reaction Engineering is a completely revised version of the worldwide best-selling book. It combines authoritative coverage of the principles of chemical reaction engineering with an unsurpassed...

H. Scott Fogler is the Arthur F. Thurnau Professor, Vennema Professor of Chemical Engineering at the University of Michigan. His research interests include flow and reaction in porous media, fused chemical relations, gellation kinetics, and chemical reaction engineering problems in the petroleum industry. He has graduated 37 Ph.D. stu...

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Format:HardcoverDimensions:1120 pages, 9.4 × 7.2 × 1.7 inPublished:August 23, 2005Publisher:Pearson EducationLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:0130473944

ISBN - 13:9780130473943

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The man who has ceased to learn ought not to be allowed to wander around loose in these dangerous days. —M. M. Coady A. The Audience This book and interactive CD-ROM is intended for use as both an undergraduate-level and a graduate-level text in chemical reaction engineering. The level will depend on the choice of chapters and CD-ROM Professional Reference Shelf (PRS) material to be covered and the type and degree of difficulty of problems assigned. B. The Goals B.1.To Develop a Fundamental Understanding of Reaction Engineering The first goal of this book is to enable the reader to develop a clear understanding of the fundamentals of chemical reaction engineering (CRE). This goal will be achieved by presenting a structure that allows the reader to solve reaction engineering problems through reasoning rather than through memorization and recall of numerous equations and the restrictions and conditions under which each equation applies. The algorithms presented in the text for reactor design provide this framework, and the homework problems will give practice at using the algorithms. The conventional home problems at the end of each chapter are designed to reinforce the principles in the chapter. These problems are about equally divided between those that can be solved with a calculator and those that require a personal computer and a numerical software package such as Polymath, MATLAB, or FEMLAB. To give a reference point as to the level of understanding of CRE required in the profession, a number of reaction engineering problems from the California Board of Registration for Civil and Professional Engineers—Chemical Engineering Examinations (PECEE) are included in the text.1 Typically, these problems should each require approximately 30 minutes to solve. Finally, the CD-ROM should greatly facilitate learning the fundamentals of CRE because it includes summary notes of the chapters, added examples, expanded derivations, and self tests. A complete description of these learning resources is given in the “The Integration of the Text and the CD-ROM” section in this Preface. B.2. To Develop Critical Thinking Skills A second goal is to enhance critical thinking skills. A number of home problems have been included that are designed for this purpose. Socratic questioning is at the heart of critical thinking, and a number of homework problems draw from R. W. Paul’s six types of Socratic questions2 shown in Table P-1. TABLE P-1. SIX TYPES OF SOCRATIC QUESTIONS Questions for clarification: Why do you say that? How does this relate to our discussion? “Are you going to include diffusion in your mole balance equations?” Questions that probe assumptions: What could we assume instead? How can you verify or disprove that assumption?“Why are you neglecting radial diffusion and including only axial diffusion?” Questions that probe reasons and evidence: What would be an example? “Do you think that diffusion is responsible for the lower conversion?” Questions about viewpoints and perspectives: What would be an alternative? “With all the bends in the pipe, from an industrial/practical standpoint, do you think diffusion and dispersion will be large enough to affect the conversion?” Questions that probe implications and consequences: What generalizations can you make? What are the consequences of that assumption? “How would our results be affected if we neglected diffusion?” Questions about the question: What was the point of this question? Why do you think I asked this question? “Why do you think diffusion is important?” Scheffer and Rubenfeld3,4 expand on the practice of critical thinking skills discussed by R. W. Paul by using the activities, statements, and questions shown in Table P-2. TABLE P-2. CRITICAL THINKING SKILLS2,3 Analyzing: separating or breaking a whole into parts to discover their nature, function, and relationships “I studied it piece by piece.” “I sorted things out.” Applying Standards: judging according to established personal, professional, or social rules or criteria “I judged it according to....” Discriminating: recognizing differences and similarities among things or situations and distinguishing carefully as to category or rank “I rank ordered the various....” “I grouped things together.” Information Seeking: searching for evidence, facts, or knowledge by identifying relevant sources and gathering objective, subjective, historical, and current data from those sources “I knew I needed to look up/study....” “I kept searching for data.” Logical Reasoning: drawing inferences or conclusions that are supported in or justified by evidence “I deduced from the information that....” “My rationale for the conclusion was....” Predicting: envisioning a plan and its consequences “I envisioned the outcome would be....” “I was prepared for....” Transforming Knowledge: changing or converting the condition, nature, form, or function of concepts among contexts “I improved on the basics by....” “I wondered if that would fit the situation of ....” I have found the best way to develop and practice critical thinking skills is to use Tables P-1 and P-2 to help students write a question on any assigned homework problem and then to explain why the question involves critical thinking. More information on critical thinking can be found on the CD-ROM in the section on Problem Solving. B.3. To Develop Creative Thinking Skills The third goal of this book is to help develop creative thinking skills. This goal will be achieved by using a number of problems that are open-ended to various degrees. Here the students can practice their creative skills by exploring the example problems as outlined at the beginning of the home problems of each chapter and by making up and solving an original problem. Problem P4-1 gives some guidelines for developing original problems. A number of techniques that can aid the students in practicing and enhancing their creativity can be found in Fogler and LeBlanc5 and in the Thoughts on Problem Solving section on the CD-ROM and on the web site www.engin.umich.edu/~cre. We will use these techniques, such as Osborn’s checklist and de Bono’s lateral thinking (which involves considering other people’s views and responding to random stimulation) to answer add-on questions such as those in Table P-3. TABLE P-3. PRACTICING CREATIVE THINKING Brainstorm ideas to ask another question or suggest another calculation that can be made for this homework problem. Brainstorm ways you could work this homework problem incorrectly. Brainstorm ways to make this problem easier or more difficult or more exciting. Brainstorm a list of things you learned from working this homework problem and what you think the point of the problem is. Brainstorm the reasons why your calculations overpredicted the conversion that was measured when the reactor was put on stream. Assume you made no numerical errors on your calculations. “What if...” questions: The “What if...” questions are particularly effective when used with the Living Example Problems where one varies the parameters to explore the problem and to carry out a sensitivity analysis. For example, what if someone suggested that you should double the catalyst particle diameter, what would you say? One of the major goals at the undergraduate level is to bring students to the point where they can solve complex reaction problems, such as multiple reactions with heat effects, and then ask “What if...” questions and look for optimum operating conditions. One problem whose solution exemplifies this goal is the Manufacture of Styrene, Problem P8-26. This problem is particularly interesting because two reactions are endothermic and one is exothermic. Ethylbenzene→Styrene + Hydrogen: Endothermic Ethylbenzene→Benzene + Ethylene: Endothermic Ethylbenzene + Hydrogen→Toluene + Methane: Exothermic To summarize Section B, it is the author’s experience that both critical and creative thinking skills can be enhanced by using Tables P-1, P-2, and P-3 to extend any of the homework problems at the end of every chapter. C. The Structure The strategy behind the presentation of material is to build continually on a few basic ideas in chemical reaction engineering to solve a wide variety of problems. These ideas, referred to as the Pillars of Chemical Reaction Engineering, are the foundation on which different applications rest. From these Pillars we construct our CRE algorithm: Mole balance + Rate laws + Stoichiometry + Energy balance + Combine With a few restrictions, the contents of this book can be studied in virtually any order after students have mastered the first four chapters. Table P-4 shows examples of topics that can be covered in a graduate course and an undergraduate course. In a four-hour undergraduate course at the University of Michigan, approximately eight chapters are covered in the following order: Chapters 1, 2, 3, 4, and 6; Sections 5.1-5.3; and Chapters 7, 8, and parts of Chapter 10. TABLE P-4. UNDERGRADUATE/GRADUATE COVERAGE OF CRE Undergraduate Material/Course Mole Balances (Ch. 1) Smog in Los Angeles Basin (PRS Ch. 1) Reactor Staging (Ch. 2) Hippopotamus Stomach (PRS Ch. 2) Rate Laws (Ch. 3) Stoichiometry (Ch.3) Reactors (Ch. 4):Batch, PFR, CSTR, PBR, Semibatch, Membrane Data Analysis: Regression (Ch. 5) Multiple Reactions (Ch. 6) Blood Coagulation (SN Ch. 6) Bioreaction Engineering (Ch. 7) Steady-State Heat Effects (Ch. 8):PFR and CSTR with and without a Heat ExchangerMultiple Steady States Unsteady-State Heat Effects (Ch. 9)Reactor Safety Catalysis (Ch. 10) Graduate Material/Course Short Review (Ch. 1-4, 6, 8) Collision Theory (PRS Ch. 3) Transition State Theory (PRS Ch. 3) Molecular Dynamics (PRS Ch. 3) Aerosol Reactors (PRS Ch. 4) Multiple Reactions (Ch. 6):Fed Membrane Reactors Bioreactions and reactors (Ch. 7, PRS 7.3, 7.4, 7.5) Polymerization (PRS Ch. 7) Co- and Counter Current Heat Exchange (Ch. 8) Radial and Axial Gradients in a PFRFEMLAB (Ch. 8) Reactor Stability and Safety (Ch. 8, 9, PRS 9.3) Runaway Reactions (PRS Ch. 8) Catalyst Deactivation (Ch. 10) Residence Time Distribution (Ch. 13) Models of Real Reactors (Ch. 14) Applications (PRS): Multiphase Reactors, CVD Reactors, Bioreactors The reader will observe that although metric units are used primarily in this text (e.g., kmol/m3, J/mol), a variety of other units are also employed (e.g., lb/ft3). This is intentional! We believe that whereas most papers published today use the metric system, a significant amount of reaction engineering data exists in the older literature in English units. Because engineers will be faced with extracting information and reaction rate data from older literature as well as the current literature, they should be equally at ease with both English and metric units. The notes in the margins are meant to serve two purposes. First, they act as guides or as commentary as one reads through the material. Second, they identify key equations and relationships that are used to solve chemical reaction engineering problems. D. The Components of the CD-ROM The interactive CD-ROM is a novel and unique part of this book. The main purposes of the CD-ROM are to serve as an enrichment resource and as a professional reference shelf. The home page for the CD-ROM and the CRE web site can be found at www.engin.umich.edu/~cre/fogler&gurmen. The objectives of the CD-ROM are threefold: (1) to facilitate the learning of CRE by interactively addressing the Felder/Solomon Inventory of Learning Styles 6 in the Summary Notes, the additional examples, the Interactive Computing Modules (ICMs), and the Web Modules; (2) to provide additional technical material for the professional reference shelf; (3) to provide other tutorial information, examples, derivations, and self tests, such as additional thoughts on problem solving, the use of computational software in chemical reaction engineering, and representative course structures. The following components are listed at the end of most chapters and can be accessed from each chapter in the CD-ROM. • Learning Resources The Learning Resources give an overview of the material in each chapter and provide extra explanations, examples, and applications to reinforce the basic concepts of chemical reaction engineering. The learning resources on the CD-ROM include the following: Summary Notes—The Summary Notes give an overview of each chapter and provide on-demand additional examples, derivations, and audio comments as well as self tests to assess each reader’s understanding of the material. Web Modules—The Web Modules, which apply key concepts to both standard and nonstandard reaction engineering problems (e.g., the use of wetlands to degrade toxic chemicals, cobra bites), can be loaded directly from the CD-ROM. Additional Web Modules are expected to be added to the web site (www.engin.umich.edu/~cre) over the next several years. Interactive Computer Modules (ICMs)—Students have found the Interactive Computer Modules to be both fun and extremely useful to review the important chapter concepts and then apply them to real problems in a unique and entertaining fashion. In addition to updating all the ICMs from the last edition, two new modules, The Great Race (Ch. 6) and Enzyme Man (Ch. 7), have been added. The complete set of 11 modules follows:• Quiz Show I (Ch. 1)• Reactor Staging (Ch. 2) • Quiz Show II (Ch. 3) • Murder Mystery (Ch. 4) • Tic Tac (Ch. 4)• Ecology (Ch. 5) • The Great Race (Ch. 6)• Enzyme Man (Ch. 7)• Heat Effects I (Ch. 8)• Heat Effects II (Ch. 8)• Catalysis (Ch. 10) Solved Problems—A number of solved problems are presented along with problem-solving heuristics. Problem-solving strategies and additional worked example problems are available in the Problem Solving section of the CD-ROM. • Living Example Problems A copy of Polymath is provided on the CD-ROM for the students to use to solve the homework problems. The example problems that use an ODE solver (e.g., Polymath) are referred to as “living example problems” because students can load the Polymath program directly onto their own computers in order to study the problem. Students are encouraged to change parameter values and to “play with” the key variables and assumptions. Using the Living Example Problems to explore the problem and asking “What if...” questions provide students with the opportunity to practice critical and creative thinking skills. • Professional Reference Shelf This section of the CD-ROM contains Material that was in previous editions (e.g., polymerization, slurry reactors, and chemical vapor disposition reactors) that has been omitted from the printed version of the fourth edition New topics such as collision and transition state theory, aerosol reactors, DFT, and runaway reactions, which are commonly found in graduate courses Material that is important to the practicing engineer, such as details of the industrial reactor design for the oxidation of SO2 and design of spherical reactors and other material that is typically not included in the majority of chemical reaction engineering courses • Software Toolbox on the CD-ROM Polymath. The Polymath software includes an ordinary differential equation (ODE) solver, a nonlinear equation solver, and nonlinear regression. As with previous editions, Polymath is included with this edition to explore the example problems and to solve the home problems. A special Polymath web site (www.polymath-software.com/fogler) has been set up for this book by Polymath authors Cutlip and Shacham. This web site provides information on how to obtain an updated version of Polymath at a discount. FEMLAB. The FEMLAB software includes a partial differential equation solver. This edition includes a specially prepared version of FEMLAB on its own CD-ROM. With FEMLAB the students can view both axial and radial temperature and concentration profiles. Five of the FEMLAB modules are: Isothermal operation Adiabatic operation Heat effects with constant heat exchange fluid temperature Heat effects with variable heat exchanger temperature Dispersion with Reaction using the Danckwerts Boundary Conditions (two cases) As with the Polymath programs, the input parameters can be varied to learn how they change the temperature and concentration profiles. Instructions are included on how to use not only the software packages of Polymath, MATLAB, and FEMLAB, but also on how to apply ASPEN PLUS to solve CRE problems. Tutorials with detailed screen shots are provided for Polymath and FEMLAB. • Other CD-ROM Resources FAQs. The Frequently Asked Questions (FAQs) are a compilation of questions collected over the years from undergraduate students taking reaction engineering. Problem Solving. In this section, both critical thinking and creative thinking are discussed along with what to do if you get “stuck” on a problem. Visual Encyclopedia of Equipment. This section was developed by Dr. Susan Montgomery at the University of Michigan. Here a wealth of photographs and descriptions of real and ideal reactors are given. The students with visual, active, sensing, and intuitive learning styles of the Felder/Solomon Index will particularly benefit from this section. Reactor Lab. Developed by Professor Richard Herz at the University of California at San Diego, this interactive tool will allow students not only to test their comprehension of CRE material but also to explore different situations and combinations of reaction orders and types of reactions. Green Engineering Home Problems. Green engineering problems for virtually every chapter have been developed by Professor Robert Hesketh at Rowan University and Professor Martin Abraham at the University of Toledo and can be found at www.rowan.edu/greenengineering. These problems also accompany the book by David Allen and David Shonnard, Green Chemical Engineering: Environmentally Conscious Design of Chemical Processes (Prentice Hall, 2002). E. The Integration of the Text and the CD-ROM E.1. The University Student There are a number of ways one can use the CD-ROM in conjunction with the text. The CD-ROM provides enrichment resources for the reader in the form of interactive tutorials. The keys to the CRE learning flow sheets include primary resources and enrichment resources. In developing a fundamental understanding of the material, students may wish to use only the primary resources without using the CD-ROM, or they may use a few or all of the interactive tutorials in the CD-ROM. However, to practice the skills that enhance critical and creative thinking, students are strongly encouraged to use the Living Example Problems and vary the model parameters to ask and answer “What if...” questions. Note that even though the author recommends studying the Living Example Problems before working home problems, they may be bypassed, as is the case with all the enrichment resources, if time is short. However, class testing of the enrichment resources reveals that they not only greatly aid in learning the material but also serve to motivate students through the novel use of CRE principles. F. The Web The web site (www.engin.umich.edu/~cre) will be used to update the text and the CD-ROM. It will identify typographical and other errors in the first and later printings of the fourth edition of the text. In the near future, additional material will be added to include more solved problems as well as additional Web Modules. G. What’s New Pedagogy. The fourth edition of this book maintains all the strengths of the previous additions by using algorithms that allow students to learn chemical reaction engineering through logic rather than memorization. At the same time it provides new resources that allow students to go beyond solving equations in order to get an intuitive feel and understanding of how reactors behave under different situations. This understanding is achieved through more than sixty interactive simulations provided on the CD-ROM that is shrink wrapped with the text. The CD-ROM has been greatly expanded to address the Felder/Solomon Inventory of Different Learning Styles7 through interactive Summary Notes and new and updated Interactive Computer Modules (ICMs). For example, the Global Learner can get an overview of the chapter material from the Summary Notes; the Sequential Learner can use all the Derive hot buttons; and the Active Learner can interact with the ICM’s and use the Self Test hot buttons in the Summary Notes. A new pedagogical concept is introduced in this edition through expanded emphasis on the example problems. Here, the students simply load the Living Example Problems (LEPs) onto their computers and then explore the problems to obtain a deeper understanding of the implications and generalizations before working the home problems for that chapter. This exploration helps the students get an innate feel of reactor behavior and operation, as well as develop and practice their creative thinking skills. To develop critical thinking skills, instructors can assign one of the new home problems on troubleshooting, as well as ask the students to expand home problems by asking a related question that involves critical thinking using Tables P-1 and P-2. Creative thinking skills can be enhanced by exploring the example problems and asking “what if. . .” questions, by using one or more of the brainstorming exercises in Table P-3 to extend any of the home problems, and by working the open-ended problems. For example, in the case study on safety, students can use the CD-ROM to carry out a post-mortem on the nitroanaline explosion in Example 9-2 to learn what would have happened if the cooling had failed for five minutes instead of ten minutes. Significant effort has been devoted to developing example and home problems that foster critical and creative thinking. New Material. Bioreaction Engineering. The greatest expansion of material is in the area of bioreaction engineering. New material has been added on Tissue Engineering Pharmacokinetics Blood Coagulation DNA Lab-On-A-Chip Methanol Poisoning Enzyme Kinetics Cell Growth Ethanol Metabolism Transdermal Drug Delivery RTD of Arterial Blood Flow in the Eye There is a bioreaction engineering home problem in virtually every chapter. Bio-related web modules include physiological-based-pharmacokinetic (PBPK) models of ethanol metabolism, of drug distribution, and of venomous snake bites by the Russels’ viper and the cobra. Chemical Reaction Engineering. There is a greater emphasis on the use of mole balances in terms of concentrations and molar flow rates rather than conversion. It is introduced early in the text so that these forms of the balance equations can be easily applied to membrane reactors and multiple reactions, as well as PFRs, PBRs, and CSTRs. The partial differential equation solver FEMLAB is included to allow students to see 2-D axial and radial temperature and concentration profiles in reactors with heat effects and dispersion. Other new material includes Microreactors Side-Fed-Membrane Reactors Laminar Flow Reactors The Advanced Reactor Safety Screening Tool (ARSST) Runaway Reactions Counter Current Heat Exchangers in Plug Flow Reactors Tubular Reactors with Axial and Radial Gradients (FEMLAB) The Use of RTD to Troubleshoot and Diagnose Faulty Reactor Operation Expanded material includes collision theory, transition state theory, molecular dynamics, and molecular chemical reaction engineering (DFT) to study rate constants. Many of the new home problems reflect this wide range of application. The fourth edition contains more industrial chemistry with real reactors and real reactions and extends the wide range of applications to which chemical reaction engineering principles can be applied (i.e., cobra bites, medications, ecological engineering). However, all intensive laws tend often to have exceptions. Very interesting concepts take orderly, responsible statements. Virtually all laws intrinsically are natural thoughts. General observations become laws under experimentation. H. Acknowledgments There are so many colleagues and students who contributed to this book that it would require another chapter to thank them all in an appropriate manner. I again acknowledge all my friends, students, and colleagues for their contributions to the first, second, and third editions (see Introduction, CD-ROM). For the fourth edition, I give special recognition as follows. First of all, I thank my colleague Dr. Nihat Gürmen who coauthored the CD-ROM and web site. His creativity and energy had a great impact on this project and really makes the fourth edition of this text and associated CD-ROM special. He has been a wonderful colleague to work with. Professor Flavio F. de Moraes not only translated the third edition into Portuguese, in collaboration with Professor Luismar M. Porto, but also gave suggestions, as well as assistance proofreading the fourth edition. Dr. Susan Montgomery provided the Visual Encyclopedia of Equipment for the CD-ROM, as well as support and encouragement. Professor Richard Herz provided the Reactor Lab portion of the CD-ROM. Dr. Ed Fontes, Anna Gordon, and the folks at Comsol provided a special version of FEMLAB to be included with this book. Duc Nguyen, Yongzhong Liu, and Nihat Gürmen also helped develop the FEMLAB material and web modules. These contributions are greatly appreciated. Elena Mansilla Diaz contributed to the blood coagulation model and, along with Nihat Gürmen, to the pharmacokinetics model of the envenomation of the Fer-de-Lance. Michael Breson and Nihat Gürmen contributed to the Russell’s Viper envenomation model, and David Umulis and Nihat Gürmen contributed to the alcohol metabolism. Veerapat (Five) Tantayakom contributed a number of the drawings, along with many other details. Senior web designers Nathan Comstock, Andrea Sterling, and Brian Vicente worked tirelessly with Dr. Gürmen on the CD-ROM, as well as with web designers Jiewei Cao and Lei He. Professor Michael Cutlip, along with Professor Mordechai Schacham, provided Polymath and a special Polymath web site for the text. Brian Vicente took major responsibility for the solution manual, while Massimiliano Nori provided solutions to Chapters 13 and 14. Sombuddha Ghosh also helped with the manual’s preparation and some web material. I would also like to thank colleagues at the University of Colorado. Professor Will Medlin coauthored the Molecular Reaction Engineering Web Modules (DFT), Professor Kristi Anseth contributed to the Tissue Engineering Example, and Professor Dhinakar Kompala contributed to the Professional Reference Shelf R7.4 Multiple Enzymes/Multiple Substrates. I also thank my Ph.D. graduate students—Rama Venkatesan, Duc Nugyen, Ann Piyarat Wattana, Kris Paso, Veerapat (Five) Tantayakom, Ryan Hartman, Hyun Lee, Michael Senra, Lizzie Wang, Prashant Singh, and Kriangkrai Kraiwattanawong—for their patience and understanding during the period while I was writing this book. In addition, the support provided by the staff and colleagues at the departments of chemical engineering at University College London and the University of Colorado while I finished the final details of the text is greatly appreciated. Both are very stimulating and are great places to work and to spend a sabbatical. The stimulating discussions with Professors Robert Hesketh, Phil Savage, John Falconer, D. B. Battacharia, Rich Masel, Eric McFarland, Will Medlin, and Kristi Anseth are greatly appreciated. I also appreciate the friendship and insights provided by Dr. Lee Brown on Chapters 13 and 14. Mike Cutlip not only gave suggestions and a critical reading of many sections but, most importantly, provided continuous support and encouragement throughout the course of this project. Don MacLaren (compositon) and Yvette Raven (CD-ROM user interface design) made large contributions to this new edition. Bernard Goodwin (Publisher) of Prentice Hall was extremely helpful and supportive throughout. There are three people who need special mention as they helped pull everything together as we rushed to meet the printing deadline. Julie Nahil, Full-Service Production Manager at Prentice Hall, provided encouragement, attention to detail, and a great sense of humor that was greatly appreciated. Janet Peters was not only a meticulous proofreader of the page proofs, but also added many valuable editorial and other comments and suggestions. Brian Vicente put out extra effort to help finish so many details with the CD-ROM and also provided a number of drawings in the text. Thanks Julie, Janet, and Brian for your added effort. Laura Bracken is so much a part of this manuscript. I appreci

Table of Contents

1. Mole Balances.

    The Rate of Reaction

    The General Mole Balance Equation

    Batch Reactors

    Continuous-Flow Reactors

    Industrial Reactors

    Summary

    CD-ROM Material

    Questions and Problems

    Supplementary Reading

2. Conversion and Reactor Sizing.

    Definition of Conversion

    Batch Reactor Design Equations

    Design Equations for Flow Reactors

    Applications of the Design Equations for Continuous-Flow Reactors

    Reactors in Series

    Some Further Definitions

    Summary

    CD-ROM Materials

    Questions and Problems

    Supplementary Reading

3. Rate Laws and Stoichiometry.

    Part 1. Rate Laws

    Basic Definitions

    The Reaction Order and the Rate Law

    The Reaction Rate Constant

    Present Status of Our Approach to Reactor Sizing and Design

    Part 2. Stoichiometry

    Batch Systems

    Flow Systems

    Summary

    CD-ROM Material

    Questions and Problems

    Supplementary Reading

4. Isothermal Reactor Design.

    Part 1. Mole Balances in Terms of Conversion

    Design Structure for Isothermal Reactors

    Scale-Up of Liquid-Phase Batch Reactor Data to the Design of a CSTR

    Design of Continuous Stirred Tank Reactors (CSTRs)

    Tubular Reactors

    Pressure Drop in Reactors

    Synthesizing the Design of a Chemical Plant

    Part 2. Mole Balances Written in Terms of Concentration and Molar Flow Rate

    Mole Balances on CSTRs, PFRs, PBRs, and Batch Reactors

    Microreactors

    Membrane Reactors

    Unsteady-State Operation of Stirred Reactors

    The Practical Side

    Summary

    ODE Solver Algorithm

    CD-ROM Material

    Questions and Problems

    Some Thoughts on Critiquing What You read

    Journal Critique Problems

    Supplementary Reading

5. Collection and Analysis of Rate Data.

    The Algorithm for Data Analysis

    Batch Reactor Data

    Method of Initial Rates

    Method of Half-Lives

    Differential Reactors

    Experimental Planning

    Evaluation of Laboratory Reactors

    Summary

    CD-ROM Material

    Questions and Problems

    Journal Critique Problems

    Supplementary Reading

6. Multiple Reactions.

    Definitions

    Parallel Reactions

    Maximizing the Desired Product in Series Reactions

    Algorithm for Solution of Complex Reactions

    Multiple Reactions in a PFR/PBR

    Multiple Reactions in a CSTR

    Membrane Reactors to Improve Selectivity in Multiple Reactions

    Complex Reactions of Ammonia Oxidation

    Sorting It All Out

    The Fun Part

    Summary

    CD-ROM Material

    Questions and Problems

    Journal Critique Problems

    Supplementary Reading

7. Reaction Mechanisms, Pathways, Bioreactions, and Bioreactors.

    Active Intermediates and Nonelementary Rate Laws

    Enzymatic Reaction Fundamentals

    Inhibition of Enzyme Reactions

    Bioreactors

    Physiologically Based Pharmacokinetic (PBPK) Models

    Summary

    CD-ROM Material

    Questions and Problems

    Journal Critique Problems

    Supplementary Reading

8. Steady-State Nonisothermal Reactor Design.

    Rationale

    The Energy Balance

    Adiabatic Operation

    Steady-State Tubular Reactor with Heat Exchange

    Equilibrium Conversion

    CSTR with Heat Effects

    Multiple Steady States

    Nonisothermal Multiple Chemical Reactions

    Radial and Axial Variations in a Tubular Reactor

    The Practical Side

    Summary

    CD-ROM Material

    Questions and Problems

    Journal Critique Problems

    Supplementary Reading

9. Unsteady-State Nonisothermal Reactor Design.

    The Unsteady-State Energy Balance

    Energy Balance on Batch Reactors

    Semibatch Reactors with a Heat Exchanger

    Unsteady Operation of a CSTR

    Nonisothermal Multiple Reactions

    Unsteady Operation of Plug-Flow Reactors

    Summary

    CD-ROM Material

    Questions and Problems

    Supplementary Reading

10. Catalysis and Catalytic Reactors.

    Catalysts

    Steps in a Catalytic Reaction

    Synthesizing a Rate Law, Mechanism, and Rate-Limiting Step

    Heterogeneous Data Analysis for Reactor Design

    Reaction Engineering in Microelectronic Fabrication

    Model Discrimination

    Catalyst Deactivation

    Summary

    ODE Solver Algorithm

    CD-ROM Material

    Questions and Problems

    Journal Critique Problems

    Supplementary Reading

11. External Diffusion Effects on Heterogeneous Reactions.

    Diffusion Fundamentals

    Binary Diffusion

    External Resistance to Mass Transfer

    What If . . . ? (Parameter Sensitivity)

    The Shrinking Core Model

    Summary

    CD-ROM Material

    Questions and Problems

    Supplementary Reading

12. Diffusion and Reaction.

    Diffusion and Reaction in Spherical Catalyst Pellets

    Internal Effectiveness Factor

    Falsified Kinetics

    Overall Effectiveness Factor

    Estimation of Diffusion- and Reaction-Limited Regimes

    Mass Transfer and Reaction in a Packed Bed

    Determination of Limiting Situations from Reaction Data

    Multiphase Reactors

    Fluidized Bed Reactors

    Chemical Vapor Deposition (CVD)

    Summary

    CD-ROM Material

    Questions and Problems

    Journal Article Problems

    Journal Critique Problems

    Supplementary Reading

13. Distributions of Residence Times for Chemical Reactors.

    General Characteristics

    Part 1. Characteristics and Diagnostics

    Measurement of the RTD

    Characteristics of the RTD

    RTD in Ideal Reactors

    Diagnostics and Troubleshooting

    Part 2. Predicting Conversion and Exit Concentration

    Reactor Modeling Using the RTD

    Zero-Parameter Models

    Using Software Packages

    RTD and Multiple Reactions

    Summary

    CD-ROM Material

    Questions and Problems

    Supplementary Reading

14. Models for Nonideal Reactors.

    Some Guidelines

    Tanks-in-Series (T-I-S) Model

    Dispersion Model

    Flow, Reaction, and Dispersion

    Tanks-in-Series Model Versus Dispersion Model

    Numerical Solutions to Flows with Dispersion and Reaction

    Two-Parameter Models-Modeling Real Reactors with Combinations of Ideal Reactors

    Use of Software Packages to Determine the Model Parameters

    Other Models of Nonideal Reactors Using CSTRs and PFRs

    Applications to Pharmacokinetic Modeling

    Summary

    CD-ROM Material

    Questions and Problems

    Supplementary Reading

Appendix A: Numerical Techniques.

Appendix B: Ideal Gas Constant and Conversion Factors.

Appendix C: Thermodynamic Relationships Involving the Equilibrium Constant.

Appendix D: Measurement of Slopes on Semilog Paper.

Appendix E: Software Packages.

Appendix F: Nomenclature.

Appendix G: Rate Law Data.

Appendix H: Open-Ended Problems.

Appendix I: How to Use the CD-ROM.

Appendix J: Use of Computational Chemistry Software Packages.

Index.

About the CD-ROM.