Chemical Reactor Design, Optimization, and Scaleup -- Contents -- Preface to the Second Edition -- Symbols -- 1 Elementary Reactions in Ideal Reactors -- 1.1 Material Balances -- 1.1.1 Measures of Composition -- 1.1.2 Measures of Reaction Rate -- 1.2 Elementary Reactions -- 1.2.1 Kinetic Theory of Gases -- 1.2.2 Rate of Formation -- 1.2.3 First-Order Reactions -- 1.2.4 Second-Order Reactions with One Reactant -- 1.2.5 Second-Order Reactions with Two Reactants -- 1.2.6 Third-Order Reactions -- 1.3 Reaction Order and Mechanism -- 1.4 Ideal, Isothermal Reactors -- 1.4.1 Ideal Batch Reactors -- 1.4.2 Reactor Performance Measures -- 1.4.3 Piston Flow Reactors -- 1.4.4 Continuous Flow Stirred Tanks -- 1.5 Mixing Times and Scaleup -- 1.6 Dimensionless Variables and Numbers -- 1.7 Batch Versus Flow and Tank Versus Tube -- Suggested Further Readings -- Problems -- 2 Multiple Reactions in Batch Reactors -- 2.1 Multiple and Nonelementary Reactions -- 2.1.1 Reaction Mechanisms -- 2.1.2 Byproducts -- 2.2 Component Reaction Rates for Multiple Reactions -- 2.3 Multiple Reactions in Batch Reactors -- 2.4 Numerical Solutions to Sets of First-Order ODEs -- 2.5 Analytically Tractable Examples -- 2.5.1 The nth-Order Reaction -- 2.5.2 Consecutive First-Order Reactions, A B C · · · -- 2.5.3 Quasi-Steady Hypothesis -- 2.5.4 Autocatalytic Reactions -- 2.6 Variable-Volume Batch Reactors -- 2.6.1 Systems with Constant Mass -- 2.6.2 Fed-Batch Reactors -- 2.7 Scaleup of Batch Reactions -- 2.8 Stoichiometry and Reaction Coordinates -- 2.8.1 Matrix Formulation of Reaction Rates -- 2.8.2 Stoichiometry of Single Reactions -- 2.8.3 Stoichiometry of Multiple Reactions -- Suggested Further Readings -- Problems -- Appendix 2.1 Numerical Solution of Ordinary Differential Equations -- 3 Isothermal Piston Flow Reactors -- 3.1 Piston Flow with Constant Mass Flow.

3.1.1 Gas Phase Reactions -- 3.1.2 Liquid Phase Reactions -- 3.2 Scaleup Relationships for Tubular Reactors -- 3.2.1 Scaling Factors -- 3.2.2 Scaling Factors for Tubular Reactors -- 3.3 Scaleup Strategies for Tubular Reactors -- 3.3.1 Scaling in Parallel and Partial Parallel -- 3.3.2 Scaling in Series for Constant-Density Fluids -- 3.3.3 Scaling in Series for Gas Flows -- 3.3.4 Scaling with Geometric Similarity -- 3.3.5 Scaling with Constant Pressure Drop -- 3.4 Scaling Down -- 3.5 Transpired-Wall Reactors -- Suggested Further Readings -- Problems -- 4 Stirred Tanks and Reactor Combinations -- 4.1 Continuous Flow Stirred Tank Reactors -- 4.2 Method of False Transients -- 4.3 CSTRs with Variable Density -- 4.3.1 Liquid Phase CSTRs -- 4.3.2 Computational Scheme for Variable-Density CSTRs -- 4.3.3 Gas Phase CSTRs -- 4.4 Scaling Factors for Liquid Phase Stirred Tanks -- 4.5 Combinations of Reactors -- 4.5.1 Series and Parallel Connections -- 4.5.2 Tanks in Series -- 4.5.3 Recycle Loops -- 4.5.4 Maximum Production Rate -- 4.6 Imperfect Mixing -- Suggested Further Readings -- Problems -- Appendix 4.1 Solution of Nonlinear Algebraic Equations -- 5 Thermal Effects and Energy Balances -- 5.1 Temperature Dependence of Reaction Rates -- 5.1.1 Arrhenius Temperature Dependence -- 5.1.2 Optimal Temperatures for Isothermal Reactors -- 5.2 Energy Balance -- 5.2.1 Nonisothermal Batch Reactors -- 5.2.2 Nonisothermal Piston Flow -- 5.2.3 Heat Balances for CSTRs -- 5.3 Scaleup of Nonisothermal Reactors -- 5.3.1 Avoiding Scaleup Problems -- 5.3.2 Heat Transfer to Jacketed Stirred Tanks -- 5.3.3 Scaling Up Stirred Tanks with Boiling -- 5.3.4 Scaling Up Tubular Reactors -- Suggested Further Readings -- Problems -- 6 Design and Optimization Studies -- 6.1 Consecutive Reaction Sequence -- 6.2 Competitive Reaction Sequence -- Suggested Further Readings -- Problems.

Appendix 6.1 Numerical Optimization Techniques -- 7 Fitting Rate Data and Using Thermodynamics -- 7.1 Fitting Data to Models -- 7.1.1 Suggested Forms for Kinetic Models -- 7.1.2 Fitting CSTR Data -- 7.1.3 Fitting Batch and PFR Data -- 7.1.4 Design of Experiments and Model Discrimination -- 7.1.5 Material Balance Closure -- 7.1.6 Confounded Reactors -- 7.2 Thermodynamics of Chemical Reactions -- 7.2.1 Terms in the Energy Balance -- 7.2.2 Reaction Equilibria -- Suggested Further Readings -- Problems -- Appendix 7.1 Linear Regression Analysis -- 8 Real Tubular Reactors in Laminar Flow -- 8.1 Flow in Tubes with Negligible Diffusion -- 8.1.1 Criterion for Neglecting Radial Diffusion -- 8.1.2 Mixing-Cup Averages -- 8.1.3 Trapezoidal Rule -- 8.1.4 Preview of Residence Time Theory -- 8.2 Tube Flows with Diffusion -- 8.2.1 Convective Diffusion of Mass -- 8.2.2 Convective Diffusion of Heat -- 8.2.3 Use of Dimensionless Variables -- 8.2.4 Criterion for Neglecting Axial Diffusion -- 8.3 Method of Lines -- 8.3.1 Governing Equations for Cylindrical Coordinates -- 8.3.2 Solution by Euler's Method -- 8.3.3 Accuracy and Stability -- 8.3.4 Example Solutions -- 8.4 Effects of Variable Viscosity -- 8.4.1 Governing Equations for Axial Velocity -- 8.4.2 Calculation of Axial Velocities -- 8.4.3 Calculation of Radial Velocities -- 8.5 Comprehensive Models -- 8.6 Performance Optimization -- 8.6.1 Optimal Wall Temperatures -- 8.6.2 Static Mixers -- 8.6.3 Small Effective Diameters -- 8.7 Scaleup of Laminar Flow Reactors -- 8.7.1 Isothermal Laminar Flow -- 8.7.2 Nonisothermal Laminar Flow -- Suggested Further Readings -- Problems -- Appendix 8.1 Convective Diffusion Equation -- Appendix 8.2 External Resistance to Heat Transfer -- Appendix 8.3 Finite-Difference Approximations -- 9 Packed Beds and Turbulent Tubes -- 9.1 Packed-Bed Reactors -- 9.1.1 Incompressible Fluids.

9.1.2 Compressible Fluids in Packed Beds -- 9.2 Turbulence -- 9.2.1 Turbulence Models -- 9.2.2 Computational Fluid Dynamics -- 9.3 Axial Dispersion Model -- 9.3.1 Danckwerts Boundary Conditions -- 9.3.2 First-Order Reactions -- 9.3.3 Utility of the Axial Dispersion Model -- 9.3.4 Nonisothermal Axial Dispersion -- 9.3.5 Shooting Solutions to Two-Point Boundary Value Problems -- 9.3.6 Axial Dispersion with Variable Density -- 9.4 Scaleup and Modeling Considerations -- Suggested Further Readings -- Problems -- 10 Heterogeneous Catalysis -- 10.1 Overview of Transport and Reaction Steps -- 10.2 Governing Equations for Transport and Reaction -- 10.3 Intrinsic Kinetics -- 10.3.1 Intrinsic Rate Expressions from Equality of Rates -- 10.3.2 Models Based on a Rate-Controlling Step -- 10.3.3 Recommended Models -- 10.4 Effectiveness Factors -- 10.4.1 Pore Diffusion -- 10.4.2 Film Mass Transfer -- 10.4.3 Nonisothermal Effectiveness -- 10.4.4 Deactivation -- 10.5 Experimental Determination of Intrinsic Kinetics -- 10.6 Unsteady Operation and Surface Inventories -- Suggested Further Readings -- Problems -- 11 Multiphase Reactors -- 11.1 Gas-Liquid and Liquid-Liquid Reactors -- 11.1.1 Two-Phase Stirred Tank Reactors -- 11.1.2 Measurement of Mass Transfer Coefficients -- 11.1.3 Fluid-Fluid Contacting in Piston Flow -- 11.1.4 Other Mixing Combinations -- 11.1.5 Prediction of Mass Transfer Coefficients -- 11.2 Three-Phase Reactors -- 11.3 Moving-Solids Reactors -- 11.3.1 Bubbling Fluidization -- 11.3.2 Fast Fluidization -- 11.3.3 Spouted Beds -- 11.3.4 Liquid-Fluidized Beds -- 11.4 Noncatalytic Fluid-Solid Reactions -- 11.5 Scaleup of Multiphase Reactors -- 11.5.1 Gas-Liquid Reactors -- 11.5.2 Gas-Moving Solids Reactors -- Suggested Further Readings -- Problems -- 12 Biochemical Reaction Engineering -- 12.1 Enzyme Catalysis -- 12.1.1 Michaelis-Menten Kinetics.

12.1.2 Inhibition, Activation, and Deactivation -- 12.1.3 Immobilized Enzymes -- 12.1.4 Reactor Design for Enzyme Catalysis -- 12.2 Cell Culture -- 12.2.1 Growth Dynamics -- 12.2.2 Reactors for Freely Suspended Cells -- 12.2.3 Immobilized Cells -- 12.2.4 Tissue Culture -- 12.3 Combinatorial Chemistry -- Suggested Further Readings -- Problems -- 13 Polymer Reaction Engineering -- 13.1 Polymerization Reactions -- 13.1.1 Step Growth Polymerizations -- 13.1.2 Chain Growth Polymerizations -- 13.2 Molecular Weight Distributions -- 13.2.1 Distribution Functions and Moments -- 13.2.2 Addition Rules for Molecular Weight -- 13.2.3 Molecular Weight Measurements -- 13.3 Kinetics of Condensation Polymerizations -- 13.3.1 Conversion -- 13.3.2 Number- and Weight-Average Chain Lengths -- 13.3.3 Molecular Weight Distribution Functions -- 13.4 Kinetics of Addition Polymerizations -- 13.4.1 Living Polymers -- 13.4.2 Free-Radical Polymerizations -- 13.4.3 Transition Metal Catalysis -- 13.4.4 Vinyl Copolymerizations -- 13.5 Polymerization Reactors -- 13.5.1 Stirred Tanks with a Continuous Polymer Phase -- 13.5.2 Tubular Reactors with a Continuous Polymer Phase -- 13.5.3 Suspending-Phase Polymerizations -- 13.6 Scaleup Considerations -- 13.6.1 Binary Polycondensations -- 13.6.2 Self-Condensing Polycondensations -- 13.6.3 Living Addition Polymerizations -- 13.6.4 Vinyl Addition Polymerizations -- Suggested Further Readings -- Problems -- 14 Unsteady Reactors -- 14.1 Unsteady Stirred Tanks -- 14.1.1 Transients in Isothermal CSTRs -- 14.1.2 Nonisothermal Stirred Tank Reactors -- 14.2 Unsteady Piston Flow -- 14.3 Unsteady Convective Diffusion -- Suggested Further Readings -- Problems -- 15 Residence Time Distributions -- 15.1 Residence Time Theory -- 15.1.1 Inert Tracer Experiments -- 15.1.2 Means and Moments -- 15.2 Residence Time Models.

15.2.1 Ideal Reactors and Reactor Combinations.