Elements of Chemical Reaction Engineering, Global Edition

Mole Balances 1

The Rate of Reaction, -r_A
The General Mole Balance Equation (GMBE)
Batch Reactors (BRs)
Continuous-Flow Reactors
Industrial Reactors
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Conversion and Reactor Sizing

Definition of Conversion
Batch Reactor Design Equations
Design Equations for Flow Reactors
Sizing Continuous-Flow Reactors
Reactors in Series
Some Further Definitions
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Rate Laws 75

Basic Definitions
The Rate Law
The Reaction-Rate Constant
Molecular Simulations
Present Status of Our Approach to Reactor Sizing and Design
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Stoichiometry

Batch Reactors (BRs)
Flow Systems
Reversible Reactions and Equilibrium Conversion
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Isothermal Reactor Design: Conversion

Design Structure for Isothermal Reactors
Batch Reactors (BRs)
Continuous-Stirred Tank Reactors (CSTRs)
Tubular Reactors
Pressure Drop in Reactors
Synthesizing the Design of a Chemical Plant
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Isothermal Reactor Design: Moles and Molar Flow Rates

The Moles and Molar Flow Rate Balance Algorithms
Mole Balances on CSTRs, PFRs, PBRs, and Batch Reactors
Application of the PFR Molar Flow Rate Algorithm to a Microreactor
Membrane Reactors
Unsteady-State Operation of Stirred Reactors
Semibatch Reactors
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Collection and Analysis of Rate Data

The Algorithm for Data Analysis
Determining the Reaction Order for Each of Two Reactants Using the Method of Excess
Integral Method
Differential Method of Analysis
Nonlinear Regression
Reaction-Rate Data from Differential Reactors
Experimental Planning
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Multiple Reactions

Definitions
Algorithm for Multiple Reactions
Parallel Reactions
Reactions in Series
Complex Reactions
Membrane Reactors to Improve Selectivity in Multiple Reactions
Sorting It All Out
The Fun Part
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Reaction Mechanisms, Pathways, Bioreactions, and Bioreactors

Active Intermediates and Nonelementary Rate Laws
Enzymatic Reaction Fundamentals
Inhibition of Enzyme Reactions
Bioreactors and Biosynthesis
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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
Reactors That Can Be Used to Help Offset Catalyst Decay
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Nonisothermal Reactor Design: The Steady-State Energy Balance and Adiabatic PFR Applications

Rationale
The Energy Balance
The User-Friendly Energy Balance Equations
Adiabatic Operation
Adiabatic Equilibrium Conversion
Reactor Staging with Interstage Cooling or Heating
Optimum Feed Temperature
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Steady-State Nonisothermal Reactor Design: Flow Reactors with Heat Exchange

Steady-State Tubular Reactor with Heat Exchange
Balance on the Heat-Transfer Fluid
Examples of the Algorithm for PFR/PBR Design with Heat Effects
CSTR with Heat Effects
Multiple Steady States (MSS)
Nonisothermal Multiple Chemical Reactions
Radial and Axial Temperature Variations in a Tubular Reactor
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Unsteady-State Nonisothermal Reactor Design

The Unsteady-State Energy Balance
Energy Balance on Batch Reactors (BRs)
Batch and Semibatch Reactors with a Heat Exchanger
Nonisothermal Multiple Reactions
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Mass Transfer Limitations in Reacting Systems

Diffusion Fundamentals
Binary Diffusion
Modeling Diffusion with Chemical Reaction
The Mass Transfer Coefficient
Mass Transfer to a Single Particle
The Shrinking Core Model
Mass Transfer-Limited Reactions in Packed Beds
Robert the Worrier
What If . . . ? (Parameter Sensitivity)
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Diffusion and Reaction

Diffusion and Reactions in Homogeneous Systems
Diffusion and Reactions in Spherical Catalyst Pellets
The 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-Rate Data
Multiphase Reactors in the Professional Reference Shelf
Fluidized Bed Reactors
Chemical Vapor Deposition (CVD)
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Residence Time Distributions of Chemical Reactors

General Considerations
Measurement of the RTD
Characteristics of the RTD
RTD in Ideal Reactors
PFR/CSTR Series RTD
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Predicting Conversion Directly from the Residence Time Distribution

Modeling Nonideal Reactors Using the RTD
Zero Adjustable Parameter Models
Using Software Packages Such as Polymath to Find Maximum Mixedness Conversion
Tanks-in-Series One Parameter Model, n
RTD and Multiple Reactions
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Models for Nonideal Reactors

Some Guidelines for Developing Models
Flow and Axial Dispersion of Inert Tracers in Isothermal Reactors
Flow, Reaction, and Axial Dispersion
Flow, Reaction, and Axial Dispersion in Isothermal Laminar-Flow Reactors and Finding Meno
Tanks-in-Series Model versus Dispersion Model
Numerical Solutions to Flows with Dispersion and Reaction
Nonisothermal Flow with Radial and Axial Variations in a Tubular Reactor
Two-Parameter Models-Modeling Real Reactors with Combinations of Ideal Reactors
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Appendix A: Numerical Techniques

A.1 Useful Integrals in Chemical Reactor Design
A.2 Equal-Area Graphical Differentiation
A.3 Solutions to Differential Equations
A.4 Numerical Evaluation of Integrals
A.5 Semi-Log 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.2 Wolfram
D.3 Python
D.4 MATLAB
D.5 Excel
D.6 COMSOL (http://www.umich.edu/~elements/6e/12chap/comsol.html)
D.7 Aspen
D.8 Visual Encyclopedia of Equipment: Reactors Section
D.9 Reactor Lab

Appendix E: Rate-Law Data Appendix F: Nomenclature Appendix G: Open-Ended Problems

G.1 Chem-E-Car
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
G.11 Safety

Appendix H: Use of Computational Chemistry Software Packages

H.1 Computational Chemical Reaction Engineering

Appendix I: How to Use the CRE Web Resources

I.1 CRE Web Resources Components
Index