Design, Simulation and Optimization of Adsorptive and Chromatographic Separations: A Hands-On Approach

A comprehensive resource to the construction, use, and modification of the wide variety of adsorptive and chromatographic separations Design, Simulation and Optimization of Adsorptive and Chromatographic Separations offers the information needed to effectively design, simulate, and optimize adsorptive and chromatographic separations for a wide range of industrial applications. The authors?noted experts in the field?cover the fundamental principles, the applications, and a range of modeling techniques for the processes. The text presents a unified approach that includes the ideal and intermediate equations and offers a wealth of hands-on case studies that employ the rigorous simulation packages Aspen Adsorption and Aspen Chromatography. The text reviews the effective design strategies, details design considerations, and the assumptions which the modelers are allowed to make. The authors also cover shortcut design methods as well as mathematical tools that help to determine optimal operating conditions. This important text: -Covers everything from the underlying pheonmena to model optimization and the customization of model code -Includes practical tutorials that allow for independent review and study -Offers a comprehensive review of the construction, use, and modification of the wide variety of adsorptive and chromatographic separations -Contains contributions from three noted experts in the field Written for chromatographers, process engineers, ehemists, and other professionals, Design, Simulation and Optimization of Adsorptive and Chromatographic Separations offers a comprehensive review of the construction, use, and modification of adsorptive and chromatographic separations.

Autorentext
Y.A. Liu, the Alumni Distinguised Professor and the Frank C. Vilbrandt Endowed Professor of Chemical Engineering at Virginia Tech, received his B.S. (1967), M.S. (1970), and Ph.D. (1974) degrees from National Taiwan University, Tufts University and Princeton University, respectively. Professor Liu devoted his school breaks helping petrochemical industries in developing countries and chemical industries in Virginia with technology development and engineering training. He has taught intensive training courses on computer-aided design, advanced process control, energy and water savings, and refinery and polymerization process modeling to over 7,000 practicing engineers in China, Taiwan and United States.

Kevin Wood received his Ph.D. in the Department of Chemical Engineering at Virginia Polytechnic Institute and State University (?Virginia Tech?) in June, 2016. He received his B.S. in chemical engineering from Purdue University in 2010. He completed his doctoral dissertation on the development of computational tools for the design of SMB systems, and design of software to enable Aspen simulations to be run in parallel. The tools he developed, and simulations he ran using them, form the basis of this textbook. He has worked on industrial modeling projects, including biodiesel, CO2 capture, and xylene separation. These projects were collaborative efforts between Virginia Tech, Aspen Technology, and industrial partners.

Yueying Yu received her Ph.D. in the Department of Chemical Engineering at Virginia Tech in December, 2015. She received her B.S. in chemical engineering from Dalian University of Technology in China in 2009. She completed her doctoral dissertation on the simulation and comparison of operational modes in simulated moving bed (SMB) chromatography and gas-phase adsorptive separation. This is a part of the basis of this book.

Inhalt

Foreword by George E. Keller, II xi

Preface xiii

Software Selection and Copyright Notice xvii

Acknowledgments xix

About the Authors xxi

List of Computer Files xxiii

1 Simulation of Adsorption Processes 1

1.1 Introduction to Gas-phase Adsorption Technologies 1

1.2 Core Concepts in Gas Adsorption 2

1.2.1 The Adsorption Process 2

1.2.2 How the Driving Forces Achieve Separation 3

1.3 Isotherms 4

1.3.1 The Langmuir Isotherm (1918) 5

1.3.2 The Linear Isotherm 5

1.3.3 The BrunauerEmmettTeller (BET) Isotherm (1938) 5

1.3.4 The Freundlich Isotherm (1906) 6

1.3.5 The Sips (LangmuirFreundlich) Isotherm (1948) 6

1.3.6 The Toth Isotherm (1971) 6

1.3.7 Summary 6

1.4 The Properties of Packed Beds 6

1.4.1 Void Fractions 7

1.4.2 External Voids 8

1.4.3 Internal Voids 8

1.4.4 Densities 8

1.4.4.1 Bulk Density 8

1.4.4.2 Skeletal or Solid Density 9

1.4.4.3 Envelope or Particle Density 10

1.4.4.4 Caveats 10

1.4.5 Relationships 10

1.4.6 Gas-phase Behavior 10

1.4.6.1 Pressure Drop 10

1.4.6.2 Compressibility 11

1.5 PSA and TSA Implementation Details 12

1.5.1 Common Adsorbent Characteristics 12

1.5.2 Common Process Configurations 12

1.6 Introduction to Aspen Adsorption 13

1.7 PSAWorkshop: Aspen Adsorption Modeling for Air Separation 15

1.7.1 Adding Components to an Aspen Adsorption Simulation 17

1.7.2 Creating a Flowsheet in Aspen Adsorption 22

1.7.3 Specifying Operating Conditions: Tables and Forms 33

1.7.4 Scheduling Events with the Cycle Organizer 42

1.7.5 Running an Aspen Simulation 51

1.7.6 Viewing and Exporting Simulation Results 51

1.8 PSAWorkshop: Hydrogen Separation in Aspen Adsorption 57

1.8.1 Define the Components and Property Model 58

1.8.2 Creating a Flowsheet in Aspen Adsorption 63

1.8.3 Run a Breakthrough Simulation 65

1.8.4 Create the PSA Flowsheet 77

1.9 PSAWorkshop: Modeling Hydrogen Separation using gCSS 87

1.9.1 Define the Components and Property Models 91

1.9.2 Working with Model Libraries: Advanced Flowsheet Options 95

1.9.3 Introduction to Scripting: Set Repeated Values and Initialize Blocks 108

1.9.4 Inspecting Blocks: Advanced Operating Conditions 112

1.9.5 Defining the Cycle Organizer 119

1.9.6 Viewing Results 127

1.10 TSAWorkshop: Temperature Swing Adsorption for Air Drying 128

1.11 Conclusions 140

1.12 Practice Problems 143

1.12.1 Introducing a gas_interaction Unit intoWorkshop 1 143

1.12.2 Naphtha Upgrading Using Adsorption 145

1.13 Nomenclature 149

Bibliography 150

2 Simulation of SMB Chromatographic Processes 155

2.1 Introduction to Chromatography 155

2.1.1 Mathematical Differences from Gas Adsorption 155

2.1.1.1 The Trace Liquid Assumption 155

2.1.1.2 Concentration Versus Partial Pressure 156

2.1.2 Thermodynamic Differences from Gas Adsorption 156

2.1.2.1 Isotherms 156

2.1.2.2 Physical Property Models 156

2.2 Introduction to SMB Chromatography 156

2.3 SMB Implementation Details 157

2.3.1 Common Process Configurations 157

2.3.2 M-Values 160

2.3.3 Scale-Up Concerns 161

2.3.4 Pressure Drop Limitations 162

2.3.5 Introduction to OperationalModes 163

2.4 SMBWorkshop: Simulate a Four-Zone SMB in Aspen Chromatography for the Separation of Tröger's Base Enantiomers 163

2.4.1 Creating a Flowsheet in Aspen Chromatography 163

2.4.2 Adding Components to an Aspen Chromatography Simulation 164

2.4.3 The Chrom_CCC_separator2 Block 165

2.4.4 Viewing Results 188 2.5 Tandem SMBWorkshop: Simulate a Separation with Dual SMB Columns 192</p&g...