Contents
1.2 The General Mole Balance Equation
1.4.1 Continuous-Stirred Tank Reactor (CSTR)
1.4.3 Packed-Bed Reactor (PBR)
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)
2.3.3 Packed-Bed Reactor (PBR)
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 The Reaction Order and the Rate Law
3.2.1 Power Law Models and Elementary Rate Laws
3.3 Rates and the Reaction Rate Constant
3.4 Present Status of Our Approach to Reactor Sizing and Design
4.1.1 Batch Concentrations for 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)
5.5.1 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 the Worrier 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 Why Is the Rate Law 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
10.2.1 Step 1 Overview: Diffusion from the Bulk to the External Surface of the Catalyst
10.2.2 Step 2 Overview: Internal Diffusion
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 Chemical Vapor Deposition
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
10.7.5 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), 
, and ΔCP
11.4.1 Adiabatic Energy Balance
11.4.2 Adiabatic Tubular Reactor
11.5 Adiabatic Equilibrium Conversion
11.6.1 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 Reactors with 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, 
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
CHAPTER 13 UNSTEADY-STATE NONISOTHERMAL REACTOR DESIGN
13.1 Unsteady-State Energy Balance
13.2 Energy Balance on Batch Reactors
13.2.1 Adiabatic Operation of a Batch Reactor
13.3 Semibatch Reactors with a Heat Exchanger
13.4 Unsteady Operation of a CSTR
13.5 Nonisothermal Multiple Reactions
CHAPTER 14 MASS TRANSFER LIMITATIONS IN REACTING SYSTEMS
14.2.1 Evaluating the Molar Flux
14.2.2 Diffusion and Convective Transport
14.2.4 Temperature and Pressure Dependence of DAB
14.2.5 Steps in Modeling Diffusion without Reaction
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
14.5 What If . . . ? (Parameter Sensitivity)
CHAPTER 15 DIFFUSION AND REACTION
15.1 Diffusion and Reactions in Homogeneous Systems
15.2 Diffusion and Reactions in Spherical Catalyst Pellets
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 Isothermal Reactors Other Than First Order
15.3.4 Weisz–Prater Criterion for Internal Diffusion
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
15.11 Chemical Vapor Deposition (CVD)
CHAPTER 16 RESIDENCE TIME DISTRIBUTIONS OF CHEMICAL REACTORS
16.1.1 Residence Time Distribution (RTD) Function
16.3 Characteristics of the RTD
16.3.3 Other Moments of the RTD
16.3.4 Normalized RTD Function, E(Θ)
16.3.5 Internal-Age Distribution, I(α)
16.4.1 RTDs in Batch and Plug-Flow Reactors
16.4.3 Laminar-Flow Reactor (LFR)
16.6 Diagnostics and Troubleshooting
16.6.2 Simple Diagnostics and Troubleshooting Using the RTD for Ideal Reactors
CHAPTER 17 PREDICTING CONVERSION DIRECTLY FROM THE RESIDENCE TIME DISTRIBUTION
17.1 Modeling Nonideal Reactors Using the RTD
17.1.1 Modeling and Mixing Overview
17.2 Zero-Adjustable-Parameter Models
17.2.2 Maximum Mixedness Model
17.3.1 Comparing Segregation and Maximum Mixedness Predictions
17.4 RTD and Multiple Reactions
CHAPTER 18 MODELS FOR NONIDEAL REACTORS
18.1 Some Guidelines for Developing 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
18.4.3 Finding Da and the Peclet Number
18.4.4 Dispersion in a Tubular Reactor with Laminar Flow
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
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
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
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