Chemical reactor design, optimization, and scaleup / E. Bruce Nauman.

Format:

Book

Author/Creator:

Nauman, E. B.

Contributor:

Hazel M. Hussong Fund.

Language:

English

Subjects (All):

Chemical reactors.

Physical Description:

xxxii, 608 pages : illustrations ; 25 cm

Edition:

Second edition.

Place of Publication:

Hoboken, N.J. : Wiley, [2008]

Summary:

Chemical Reactor Design, Optimization, and Scaleup is the authoritative sourcebook on chemical reactors. This new Second Edition consolidates the latest information on current optimization and scaleup methodologies, numerical methods, and biochemical and polymer reactions. It provides the comprehensive tools and information to help readers design and specify chemical reactors confidently, with state-of-the-art skills. This authoritative guide: Covers the fundamentals and principles of chemical reactor design, along with advanced topics and applications, Presents techniques for dealing with varying physical properties in reactors of all types and purposes, Includes a completely new chapter on meso-, micro-, and nano-scale reactors that addresses such topics as axial diffusion in micro-scale reactors and self-assembly of nano-scale structures, Explains the method of false transients, a numerical solution technique, Includes suggestions for further reading, problems, and, when appropriate, scaleup or scaledown considerations at the end of each chapter to illustrate industrial applications, Serves as a ready reference for explained formulas, principles, and data.

This is the definitive hands-on reference for practicing professionals and an excellent textbook for courses in chemical reactor design. It is an essential resource for chemical engineers in the process industries, including petrochemicals, biochemicals, microelectronics, and water treatment.

Contents:

1 Elementary Reactions in Ideal Reactors 1

1.1 Material Balances 1

1.1.1 Measures of Composition 4

1.1.2 Measures of Reaction Rate 5

1.2 Elementary Reactions 5

1.2.1 Kinetic Theory of Gases 6

1.2.2 Rate of Formation 6

1.2.3 First-Order Reactions 8

1.2.4 Second-Order Reactions with One Reactant 8

1.2.5 Second-Order Reactions with Two Reactants 9

1.2.6 Third-Order Reactions 9

1.3 Reaction Order and Mechanism 9

1.4 Ideal, Isothermal Reactors 12

1.4.1 Ideal Batch Reactors 12

1.4.2 Reactor Performance Measures 17

1.4.3 Piston Flow Reactors 19

1.4.4 Continuous Flow Stirred Tanks 24

1.5 Mixing Times and Scaleup 26

1.6 Dimensionless Variables and Numbers 31

1.7 Batch Versus Flow and Tank Versus Tube 33

2 Multiple Reactions in Batch Reactors 41

2.1 Multiple and Nonelementary Reactions 41

2.1.1 Reaction Mechanisms 42

2.1.2 Byproducts 43

2.2 Component Reaction Rates for Multiple Reactions 43

2.3 Multiple Reactions in Batch Reactors 44

2.4 Numerical Solutions to Sets of First-Order ODEs 46

2.5 Analytically Tractable Examples 52

2.5.1 The nth-Order Reaction 52

2.5.2 Consecutive First-Order Reactions, A [right arrow] B [right arrow] C [right arrow] ... 53

2.5.3 Quasi-Steady Hypothesis 56

2.5.4 Autocatalytic Reactions 62

2.6 Variable-Volume Batch Reactors 65

2.6.1 Systems with Constant Mass 65

2.6.2 Fed-Batch Reactors 71

2.7 Scaleup of Batch Reactions 73

2.8 Stoichiometry and Reaction Coordinates 74

2.8.1 Matrix Formulation of Reaction Rates 74

2.8.2 Stoichiometry of Single Reactions 76

2.8.3 Stoichiometry of Multiple Reactions 77

Appendix 2.1 Numerical Solution of Ordinary Differential Equations 84

3 Isothermal Piston Flow Reactors 89

3.1 Piston Flow with Constant Mass Flow 90

3.1.1 Gas Phase Reactions 94

3.1.2 Liquid Phase Reactions 104

3.2 Scaleup Relationships for Tubular Reactors 107

3.2.1 Scaling Factors 107

3.2.2 Scaling Factors for Tubular Reactors 112

3.3 Scaleup Strategies for Tubular Reactors 113

3.3.1 Scaling in Parallel and Partial Parallel 113

3.3.2 Scaling in Series for Constant-Density Fluids 114

3.3.3 Scaling in Series for Gas Flows 116

3.3.4 Scaling with Geometric Similarity 117

3.3.5 Scaling with Constant Pressure Drop 119

3.4 Scaling Down 120

3.5 Transpired-Wall Reactors 122

4 Stirred Tanks and Reactor Combinations 129

4.1 Continuous Flow Stirred Tank Reactors 129

4.2 Method of False Transients 131

4.3 CSTRs with Variable Density 135

4.3.1 Liquid Phase CSTRs 136

4.3.2 Computational Scheme for Variable-Density CSTRs 137

4.3.3 Gas Phase CSTRs 138

4.4 Scaling Factors for Liquid Phase Stirred Tanks 143

4.5 Combinations of Reactors 145

4.5.1 Series and Parallel Connections 145

4.5.2 Tanks in Series 148

4.5.3 Recycle Loops 150

4.5.4 Maximum Production Rate 153

4.6 Imperfect Mixing 154

Appendix 4.1 Solution of Nonlinear Algebraic Equations 158

5 Thermal Effects and Energy Balances 163

5.1 Temperature Dependence of Reaction Rates 163

5.1.1 Arrhenius Temperature Dependence 163

5.1.2 Optimal Temperatures for Isothermal Reactors 166

5.2 Energy Balance 170

5.2.1 Nonisothermal Batch Reactors 172

5.2.2 Nonisothermal Piston Flow 175

5.2.3 Heat Balances for CSTRs 178

5.3 Scaleup of Nonisothermal Reactors 185

5.3.1 Avoiding Scaleup Problems 185

5.3.2 Heat Transfer to Jacketed Stirred Tanks 187

5.3.3 Scaling Up Stirred Tanks with Boiling 190

5.3.4 Scaling Up Tubular Reactors 191

6 Design and Optimization Studies 199

6.1 Consecutive Reaction Sequence 199

6.2 Competitive Reaction Sequence 216

Appendix 6.1 Numerical Optimization Techniques 220

7 Fitting Rate Data and Using Thermodynamics 225

7.1 Fitting Data to Models 225

7.1.1 Suggested Forms for Kinetic Models 226

7.1.2 Fitting CSTR Data 228

7.1.3 Fitting Batch and PFR Data 233

7.1.4 Design of Experiments and Model Discrimination 238

7.1.5 Material Balance Closure 239

7.1.6 Confounded Reactors 241

7.2 Thermodynamics of Chemical Reactions 244

7.2.1 Terms in the Energy Balance 244

7.2.2 Reaction Equilibria 252

Appendix 7.1 Linear Regression Analysis 274

8 Real Tubular Reactors in Laminar Flow 279

8.1 Flow in Tubes with Negligible Diffusion 280

8.1.1 Criterion for Neglecting Radial Diffusion 281

8.1.2 Mixing-Cup Averages 282

8.1.3 Trapezoidal Rule 284

8.1.4 Preview of Residence Time Theory 287

8.2 Tube Flows with Diffusion 288

8.2.1 Convective Diffusion of Mass 288

8.2.2 Convective Diffusion of Heat 290

8.2.3 Use of Dimensionless Variables 290

8.2.4 Criterion for Neglecting Axial Diffusion 291

8.3 Method of Lines 292

8.3.1 Governing Equations for Cylindrical Coordinates 292

8.3.2 Solution by Euler's Method 294

8.3.3 Accuracy and Stability 295

8.3.4 Example Solutions 296

8.4 Effects of Variable Viscosity 301

8.4.1 Governing Equations for Axial Velocity 302

8.4.2 Calculation of Axial Velocities 303

8.4.3 Calculation of Radial Velocities 304

8.5 Comprehensive Models 307

8.6 Performance Optimization 307

8.6.1 Optimal Wall Temperatures 308

8.6.2 Static Mixers 308

8.6.3 Small Effective Diameters 310

8.7 Scaleup of Laminar Flow Reactors 311

8.7.1 Isothermal Laminar Flow 311

8.7.2 Nonisothermal Laminar Flow 312

Appendix 8.1 Convective Diffusion Equation 316

Appendix 8.2 External Resistance to Heat Transfer 317

Appendix 8.3 Finite-Difference Approximations 319

9 Packed Beds and Turbulent Tubes 323

9.1 Packed-Bed Reactors 324

9.1.1 Incompressible Fluids 324

9.1.2 Compressible Fluids in Packed Beds 333

9.2 Turbulence 334

9.2.1 Turbulence Models 335

9.2.2 Computational Fluid Dynamics 336

9.3 Axial Dispersion Model 336

9.3.1 Danckwerts Boundary Conditions 339

9.3.2 First-Order Reactions 340

9.3.3 Utility of the Axial Dispersion Model 342

9.3.4 Nonisothermal Axial Dispersion 344

9.3.5 Shooting Solutions to Two-Point Boundary Value Problems 344

9.3.6 Axial Dispersion with Variable Density 352

9.4 Scaleup and Modeling Considerations 352

10 Heterogeneous Catalysis 355

10.1 Overview of Transport and Reaction Steps 357

10.2 Governing Equations for Transport and Reaction 358

10.3 Intrinsic Kinetics 360

10.3.1 Intrinsic Rate Expressions from Equality of Rates 361

10.3.2 Models Based on a Rate-Controlling Step 363

10.3.3 Recommended Models 367

10.4 Effectiveness Factors 368

10.4.1 Pore Diffusion 368

10.4.2 Film Mass Transfer 371

10.4.3 Nonisothermal Effectiveness 372

10.4.4 Deactivation 374

10.5 Experimental Determination of Intrinsic Kinetics 376

10.6 Unsteady Operation and Surface Inventories 380

11 Multiphase Reactors 385

11.1 Gas-Liquid and Liquid-Liquid Reactors 385

11.1.1 Two-Phase Stirred Tank Reactors 386

11.1.2 Measurement of Mass Transfer Coefficients 401

11.1.3 Fluid-Fluid Contacting in Piston Flow 404

11.1.4 Other Mixing Combinations 410

11.1.5 Prediction of Mass Transfer Coefficients 412

11.2 Three-Phase Reactors 415

11.3 Moving-Solids Reactors 417

11.3.1 Bubbling Fluidization 419

11.3.2 Fast Fluidization 420

11.3.3 Spouted Beds 420

11.3.4 Liquid-Fluidized Beds 421

11.4 Noncatalytic Fluid-Solid Reactions 421

11.5 Scaleup of Multiphase Reactors 427

11.5.1 Gas-Liquid Reactors 427

11.5.2 Gas-Moving Solids Reactors 429

12 Biochemical Reaction Engineering 433

12.1 Enzyme Catalysis 434

12.1.1 Michaelis-Menten Kinetics 434

12.1.2 Inhibition, Activation, and Deactivation 438

12.1.3 Immobilized Enzymes 439

12.1.4 Reactor Design for Enzyme Catalysis 440

12.2 Cell Culture 444

12.2.1 Growth Dynamics 446

12.2.2 Reactors for Freely Suspended Cells 450

12.2.3 Immobilized Cells 457

12.2.4 Tissue Culture 458

12.3 Combinatorial Chemistry 458

13 Polymer Reaction Engineering 461

13.1 Polymerization Reactions 461

13.1.1 Step Growth Polymerizations 462

13.1.2 Chain Growth Polymerizations 466

13.2 Molecular Weight Distributions 468

13.2.1 Distribution Functions and Moments 469

13.2.2 Addition Rules for Molecular Weight 470

13.2.3 Molecular Weight Measurements 470

13.3 Kinetics of Condensation Polymerizations 471

13.3.1 Conversion 471

13.3.2 Number- and Weight-Average Chain Lengths 472

13.3.3 Molecular Weight Distribution Functions 473

13.4 Kinetics of Addition Polymerizations 478

13.4.1 Living Polymers 479

13.4.2 Free-Radical Polymerizations 481

13.4.3 Transition Metal Catalysis 486

13.4.4 Vinyl Copolymerizations 486

13.5 Polymerization Reactors 490

13.5.1 Stirred Tanks with a Continuous Polymer Phase 492

13.5.2 Tubular Reactors with a Continuous Polymer Phase 495

13.5.3 Suspending-Phase Polymerizations 507

13.6 Scaleup Considerations 509

13.6.1 Binary Polycondensations 509

13.6.2 Self-Condensing Polycondensations 509

13.6.3 Living Addition Polymerizations 510

13.6.4 Vinyl Addition Polymerizations 510

14 Unsteady Reactors 513

14.1 Unsteady Stirred Tanks 513

14.1.1 Transients in Isothermal CSTRs 515

14.1.2 Nonisothermal Stirred Tank Reactors 523

14.2 Unsteady Piston Flow 526

14.3 Unsteady Convective Diffusion 529

15 Residence Time Distributions 535

15.1 Residence Time Theory 535

15.1.1 Inert Tracer Experiments 536

15.1.2 Means and Moments 539

15.2 Residence Time Models 540

15.2.1 Ideal Reactors and Reactor Combinations 540

15.2.2 Hydrodynamic Models 552

15.3 Reaction Yields 557

15.3.1 First-Order Reactions 557

15.3.2 Other Reactions 560

15.4 Extensions of Residence Time Theory 569

15.4.1 Unsteady Flow Systems 570

15.4.2 Contact Times 570

15.4.3 Thermal Times 571

15.5 Scaleup Considerations 571

16 Reactor Design at Meso-, Micro-, and Nanoscales 575

16.1 Mesoscale Reactors 577

16.1.1 Flow in Rectangular Geometries 578

16.1.2 False Transients Applied to PDEs 580

16.1.3 Jet Impingement Mixers 584

16.2 Microscale Reactors 584

16.2.1 Mixing Times 585

16.2.2 Radial or Cross-Channel Diffusion 586

16.2.3 False Transients Versus Method of Lines 587

16.2.4 Axial Diffusion in Microscale Ducts 587

16.2.5 Second-Order Reactions with Unmixed Feed 591

16.2.6 Microelectronics 594

16.2.7 Chemical Vapor Deposition 595

16.3 Nanoscale Reactors 596

16.3.1 Self-Assembly 597

16.3.2 Molecular Dynamics 598

16.4 Scaling, Up or Down 599.

Notes:

Includes bibliographical references (pages 601-602) and index.

Local Notes:

Acquired for the Penn Libraries with assistance from the Hazel M. Hussong Fund.

ISBN:

9780470105252

0470105259

OCLC:

185021533

Online:

Publisher description

Contributor biographical information