Contents
1.2 The General Mole Balance Equation
1.4.1 Continuous-StinedTankReactor(CSTR)
CHAPTER 2 CONVERSION AND REACTOR SIZING
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)
2.4 Sizing Continuous-Flow Reactors
2.5.3 Combinations of CSTRs and PFRs in Series
2.5.4 Comparing the CSTR and PFR Reactor Volumes and Reactor Sequencing
3.1.1 Relative Rates of Reaction
3.2.1 Power Law Models and Elementary Rate Laws
3.2.2 JSonelementary Rate Laws
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
3.4.2 Stochastic Modeling of Reactions
3.5 Present Status of Our Approach to Reactor Sizing and Design
4.1.1 Batch Concentrationsfor the Generic Reaction, Equation (2-2)
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
5.3 Continuous-Stirred Tank Reactors (CSTRs)
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
5.5.1 Pressure Drop and the Rate Law
5.5.2 Flow Through a Packed Bed
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
6.3 Application of the PFR Molar Flow Rate Algorithm to a Microreactor
6.5 Unsteady-State Operation of Stirred Reactors
6.6.1 Motivation for Using a Semibatch Reactor
6.6.2 Semibatch Reactor Mole Balances
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
7.4 Differential Method of Analysis
7.4.1 Graphical Differentiation Method
7.4.3 Finding the Rate-Law Parameters
7.6 Reaction-Rate Data from Differential Reactors
8.2 Algorithm for Multiple Reactions
8.2.1 Modifications to the Chapter 6 CRE Algorithm for Multiple Reactions
8.3.2 Maximizing the Desired Product for One Reactant
8.3.3 Reactor Selection and Operating Conditions
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
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
9.2 Enzymatic Reaction Fundamentals
9.2.1 Enzyme-Substrate Complex
9.2.3 Michaelis-Menten Equation
9.2.4 Batch-Reactor Calculations for Enzyme Reactions
9.3 Inhibition of Enzyme Reactions
9.3.2 Uncompetitive Inhibition
9.3.3 Noncompetitive Inhibition (Mixed Inhibition)
9.4 Bioreactors and Biosynthesis
9.4.6 CSTR Bioreactor Operation
CHAPTER 10 CATALYSIS AND CATALYTIC REACTORS
10.1.3 Catalytic Gas-Solid Interactions
10.1.4 Classification of Catalysts
10.2 Steps in a Catalytic Reaction
10.2.2 Mass Transfer Step 2: Internal Diffusion—An Overview
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
10.3.6 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
10.5 Reaction Engineering in Microelectronic Fabrication
10.5.2 ChemicalVapor Deposition
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
10.8.3 Straight-Through Transport Reactors (STTR)
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
11.4.1 Adiabatic Energy Balance
11.4.2 Adiabatic Tubular Reactor
11.5 Adiabatic Equilibrium Conversion
11.6 Reactor Staging with Interstage Cooling or Heating
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
12.3 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
12.4.1 Heat Added to the Reactor, Q
12.5 Multiple Steady States (MSS)
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
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
13.4 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
APPENDIX B IDEAL GAS CONSTANT AND CONVERSION FACTORS
APPENDIX C THERMODYNAMIC RELATIONSHIPS INVOLVING THE EQUILIBRIUM CONSTANT
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.5 COMSOL (http://www.umich.edu/~elements/5e/12chap/comsol.html)
D.7 Visual Encyclopedia of Equipment—Reactors Section
APPENDIX G OPEN-ENDED PROBLEMS
G.1 Design of Reaction Engineering Experiment
G.2 Effective Lubricant Design
G.3 Peach Bottom Nuclear Reactor
G.5 Hydrodesulfurization Reactor Design
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
Web Chapters
CHAPTER 14 MASS TRANSFER LIMHATIONS IN REACTING SYSTEMS
(http://www.umich.edu/~elements/5e/14chap/Fogler_Web_Chl4.pdf)
CHAPTER 15 DIFFUSION AND REACTION
(http://www.umich.eaul/~elements/5e/l5chap/Fogler_Web_Chl5.pdf)
CHAPTER 16 RESIDENCE TIME DISTRIBUTIONS OF CHEMICAL REACTORS
(http://www.umich.edu/~elements/5e/l6chap/Fogler_Web_Chl6.pdf)
CHAPTER 17 PREDICTING CONVERSION DIRECTLY FROM THE RESIDENCE TIME DISTRIBUTION
(http://www.umich.edu/~elements/5e/l7chap/Fogler_Web_Chl7.pdf)
CHAPTER 18 MODELS FOR NONIDEAL REACTORS
(http://www.umich.eau/~elements/5e/18chap/Fogler_Web_Ch18.pdf)