Chapter 1 Introduction to Chemical Product Design 3

1.0 Objectives 3

1.1 Introduction 3

1.2 The Diversity of Chemical Products 3

1.3 Product Design and Development 7

1.4 Summary 16

References 17

Exercises 17

Chapter 2 Introduction to Process Design 19

2.0 Objectives 19

2.1 Introduction 19

2.2 Experiments 21

2.3 Preliminary Process Synthesis 21

2.4 Next Process Design Tasks 40

2.5 Preliminary Flowsheet Mass Balances 41

2.6 Summary 45

References 45

Exercises 45

Chapter 3 Design Literature, Stimulating Innovation, Energy, Environment, Sustainability, Safety, Engineering Ethics 47

3.0 Objectives 47

3.1 Design Literature 47

3.2 Stimulating Invention and Innovation 50

3.3 Energy Sources 51

3.4 Environmental Protection 56

3.5 Sustainability 60

3.6 Safety Considerations 63

3.7 Engineering Ethics 70

3.8 Summary 73

References 73

Exercises 74

3S Supplement to Chapter 3—NSPE Code of Ethics (Online www.wiley.com/college/Seider)

PART TWO DESIGN SYNTHESIS—PRODUCT AND PROCESSES 77

Chapter 4 Molecular and Mixture Design 79

4.0 Objectives 79

4.1 Introduction 79

4.2 Framework for Computer-Aided Molecular-Mixture Design 81

4.3 Case Studies 98

4.4 Summary 107

References 107

Exercises 108

Chapter 5 Design of Chemical Devices, Functional Products, and Formulated Products 110

5.0 Objectives 110

5.1 Introduction 110

5.2 Design of Chemical Devices and Functional Products 112

5.3 Design of Formulated Products 117

5.4 Design of Processes for B2C Products 123

5.5 Summary 126

References 127

Exercises 127

Chapter 6 Heuristics for Process Synthesis 132

6.0 Objectives 132

6.1 Introduction 133

6.2 Raw Materials and Chemical Reactions 133

6.3 Distribution of Chemicals 135

6.4 Separations 141

6.5 Heat Removal From and Addition to Reactors 145

6.6 Heat Exchangers and Furnaces 148

6.7 Pumping, Compression, Pressure Reduction, Vacuum, and Conveying of Solids 150

6.8 Changing the Particle Size of Solids and Size Separation of Particles 153

6.9 Removal of Particles From Gases and Liquids 154

6.10 Considerations that Apply to the Entire Flowsheet 154

6.11 Summary 155

References 159

Exercises 160

Chapter 7 Simulation to Assist in Process Creation 162

7.0 Objectives 162

7.1 Introduction 162

7.2 Principles of Process Simulation 163

7.3 Process Creation through Process Simulation 176

7.4 Case Studies 184

7.5 Principles of Batch Flowsheet Simulation 194

7.6 Summary 201

References 202

Exercises 202

Chapter 8 Synthesis of Networks Containing Reactors 209

8.0 Objectives 209

8.1 Introduction 209

8.2 Reactor Models in the Process Simulators 210

8.3 Reactor Network Design Using the Attainable Region 215

8.4 Reactor Design for Complex Configurations 220

8.5 Locating the Separation Section with Respect to the Reactor Section 224

8.6 Trade-Offs in Processes Involving Recycle 227

8.7 Optimal Reactor Conversion 228

8.8 Recycle to Extinction 229

8.9 Snowball Effects in the Control of Processes Involving Recycle 231

8.10 Summary 231

References 232

Exercises 232

Chapter 9 Synthesis of Separation Trains 234

9.0 Objectives 234

9.1 Introduction 234

9.2 Criteria for Selection of Separation Methods 241

9.3 Selection of Equipment 244

9.4 Sequencing of Ordinary Distillation Columns for the Separation of Nearly Ideal Liquid Mixtures 245

9.5 Sequencing of Operations for the Separation of Nonideal Liquid Mixtures 257

9.6 Separation Systems for Gas Mixtures 277

9.7 Separation Systems for Solid-Fluid Mixtures 279

9.8 Summary 280

References 280

Exercises 282

Chapter 10 Second-Law Analysis 287

10.0 Objectives 287

10.1 Introduction 287

10.2 The System and the Surroundings 289

10.3 Energy Transfer 289

10.4 Thermodynamic Properties 290

10.5 Equations for Second-Law Analysis 295

10.6 Examples of Lost-Work Calculations 297

10.7 Thermodynamic Efficiency 299

10.8 Causes of Lost Work 300

10.9 Three Examples of Second-Law Analysis 300

10.10 Summary 310

References 310

Exercises 310

Chapter 11 Heat and Power Integration 316

11.0 Objectives 316

11.1 Introduction 316

11.2 Minimum Utility Targets 319

11.3 Networks for Maximum Energy Recovery 325

11.4 Minimum Number of Heat Exchangers 329

11.5 Threshold Approach Temperature 334

11.6 Optimum Approach Temperature 336

11.7 Multiple Utilities 337

11.8 Heat-Integrated Reactors and Distillation Trains 342

11.9 Heat Engines and Heat Pumps 348

11.10 Summary 351

Heat Integration Software 351

References 352

Exercises 352

11S-1 Supplements to Chapter 11—MILP and MINLP Applications in HEN Synthesis (Online www.wiley.com/college/Seider)

11S-1.0 Objectives

11S-1.1 MER Targeting Using Linear Programming (LP)

11S-1.2 MER Design Using Mixed-Integer Linear Programming (MINLP)

11S-1.3 Superstructures for Minimization of Annual Costs

11S-1.4 Case Studies

Case Study 11S-1.1 Optimal Heat-Integration for the ABCDE Process

Case Study 11S-1.2 Optimal Heat-Integration for an Ethylene Plant

11S-1.5 Summary

11S-1.6 References

11S-2 Supplement to Chapter 11—Mass Integration (Online www.wiley.com/college/Seider)

11S-2.0 Objectives

11S-2.1 Introduction

11S-2.2 Minimum Mass-Separating Agent

11S-2.3 Mass Exchange Networks for Minimum External Area

11S-2.4 Minimum Number of Mass Exchangers

11S-2.5 Advanced Topics

11S-2.6 Summary

11S-2.7 References

Chapter 12 Heat Exchanger Design 358

12.0 Objectives 358

12.1 Introduction 358

12.2 Equipment for Heat Exchange 363

12.3 Heat-Transfer Coefficients and Pressure Drop 375

12.4 Design of Shell-and-Tube Heat Exchangers 380

12.5 Summary 384

References 384

Exercises 384

Chapter 13 Separation Tower Design 386

13.0 Objectives 386

13.1 Operating Conditions 386

13.2 Fenske-Underwood-Gilliland (FUG) Shortcut Method for Ordinary Distillation 387

13.3 Kremser Shortcut Method for Absorption and Stripping 388

13.4 Rigorous Multicomponent, Multiequilibrium-Stage Methods with a Simulator 389

13.5 Plate Efficiency and HETP 391

13.6 Tower Diameter 392

13.7 Pressure Drop and Weeping 393

13.8 Summary 395

References 395

Exercises 396

Chapter 14 Pumps, Compressors, and Expanders 397

14.0 Objectives 397

14.1 Pumps 397

14.2 Compressors and Expanders 401

14.3 Summary 403

References 404

Exercises 404

Chapter 15 Chemical Reactor Design 405

15.0 Objectives 405

15.1 Introduction 405

15.2 Limiting Approximate Models for Tubular Reactors 405

15.3 The COMSOL CFD Package 407

15.4 CFD for Tubular Reactor Models 410

15.5 Nonisothermal Tubular Reactor Models 418

15.6 Mixing in Stirred-Tank Reactors 423

15.7 Summary 424

References 425

Exercises 425

Chapter 16 Cost Accounting and Capital Cost Estimation 426

16.0 Objectives 426

16.1 Accounting 426

16.2 Cost Indexes and Capital Investment 434

16.3 Capital Investment Costs 438

16.4 Estimation of the Total Capital Investment 444

16.5 Purchase Costs of the Most Widely Used Process Equipment 449

16.6 Purchase Costs of Other Chemical Processing Equipment 470

16.7 Equipment Costing Spreadsheet 486

16.8 Equipment Sizing and Capital Cost Estimation Using Aspen Process Economic Analyzer (APEA) 486

16.9 Summary 493

References 493

Exercises 494

Chapter 17 Annual Costs, Earnings, and Profitability Analysis 498

17.0 Objectives 498

17.1 Introduction 498

17.2 Annual Sales Revenues, Production Costs, and the Cost Sheet 499

17.3 Working Capital and Total Capital Investment 509

17.4 Approximate Profitability Measures 510

17.5 Time Value of Money 513

17.6 Cash Flow and Depreciation 520

17.7 Rigorous Profitability Measures 525

17.8 Profitability Analysis Spreadsheet 529

17.9 Summary 545

References 546

Exercises 546

PART THREE DESIGN ANALYSIS—PRODUCT AND PROCESS 551

Chapter 18 Six-Sigma Design Strategies 553

18.0 Objectives 553

18.1 Introduction 553

18.2 Six-Sigma Methodology in Product Design and Manufacturing 553

18.3 Example Applications 557

18.4 Summary 564

References 564

Exercises 565

18S Supplement to Chapter 18 (Online www.wiley.com/college/Seider)

18S.1 Penicillin Fermenter Model

18S.2 Reactive Extraction and Re-extraction Model

References

Chapter 19 Business Decision Making in Product Development 566

19.0 Objectives 566

19.1 Introduction 566

19.2 Economic Analysis 566

19.3 Make-or-Buy Decisions 570

19.4 Microeconomics of Product Development 572

19.5 Company and Societal Factors Affecting Product Development 573

19.6 Summary 574

References 575

Exercises 575

Chapter 20 Plantwide Controllability Assessment 576

20.0 Objectives 576

20.1 Introduction 576

20.2 Control System Configuration 579

20.3 Qualitative Plantwide Control System Synthesis 584

20.4 Summary 590

References 590

Exercises 591

20S Supplement to Chapter 20 (Online www.wiley.com/college/Seider)

20S.0 Objectives

20S.1 Generation of Linear Models in Standard Forms

20S.2 Quantitative Measures for Controllability and Resiliency

20S.3 Towards Automated Flowsheet C&R Diagnosis

20S.4 Control Loop Definition and Tuning

20S.5 Case Studies

Case Study 20S.1 Exothermic Reactor Design for the Production of Propylene Glycol

Case Study 20S.2 Two Alternative Heat Exchanger Networks

Case Study 20S.3 Interaction of design and Control in the MCB Separation Process

20S.6 MATLAB for C&R Analysis

20S.7 Summary

References

Exercises

Chapter 21 Design Optimization 597

21.0 Objectives 597

21.1 Introduction 597

21.2 General Formulation of the Optimization Problem 598

21.3 Classification of Optimization Problems 599

21.4 Linear Programming (LP) 601

21.5 Nonlinear Programming (NLP) with a Single Variable 603

21.6 Conditions for Nonlinear Programming (NLP) by Gradient Methods with Two or More Decision Variables 605

21.7 Optimization Algorithm 607

21.8 Flowsheet Optimizations—Case Studies 609

21.9 Summary 611

References 612

Exercises 612

Chapter 22 Optimal Design and Scheduling of Batch Processes 616

22.0 Objectives 616

22.1 Introduction 616

22.2 Design of Batch Process Units 617

22.3 Design of Reactor–Separator Processes 620

22.4 Design of Single-product Processing Sequences 622

22.5 Design on Multiproduct Processing Sequences 625

22.6 Summary 626

References 626

Exercises 627

PART FOUR DESIGN REPORTS—PRODUCT AND PROCESS 629

Chapter 23 Written Reports and Oral Presentations 631

23.0 Objectives 631

23.1 Contents of the Written Report 632

23.2 Preparation of the Written Report 636

23.3 Oral Design Presentations 638

23.4 Award Competition 641

23.5 Summary 641

References 641

PART FIVE CASE STUDIES—PRODUCT AND PROCESS DESIGNS 643

Chapter 24 Case Study 1—Home Hemodialysis Devices 645

24.0 Objectives 645

24.1 Hemodialysis Technology 645

24.2 Design Specifications of Home Hemodialysis Device 652

24.3 Summary 655

References 655

Bibliography Patents—Hemodialysis Devices—General 655

Patents—Hemodialysis Devices—Hollow-Fiber Membranes 656

Patents—Hemodialysis Devices—Dialysate Regeneration 656

Patents—Hemodialysis Devices—Alarms/User Interface 656

Exercises 656

Chapter 25 Case Study 2—High Throughput Screening Devices for Kinase Inhibitors 657

25.0 Objectives 657

25.1 Background Technology For High Throughput Screening of Kinase Inhibitors 657

25.2 Product Concept 665

25.3 Prototyping 669

25.4 Product Development 672

25.5 Summary 672

References 672

Patents 673

Exercises 673

Chapter 26 Case Study 3—Die Attach Adhesive: A Case Study of Product Development 674

26.0 Objectives 674

26.1 Background of Technology 674

26.2 Market Study 674

26.3 Product Design 677

26.4 Process Design 678

26.5 Prototyping 678

26.6 Estimation of Product Cost 679

26.7 Summary 680

References 680

Exercises 681

Chapter 27 Case Study 4—Ammonia Process 683

27.0 Objectives 683

27.1 Introduction 683

27.2 Initial Base Case Design 686

27.3 Design Refinement 692

Postscript 699

References 703

Exercises 703

APPENDICES

I. Residue Curves for Heterogeneous Systems 704

II. Design Problem Statements by Area 705

III. Materials of Construction 709

INDICES

Table of Acronyms 711

Author Index 719

Subject Index 725