Note: Cover -- Title Page -- Copyright -- Contents -- Foreword by George E. Keller, II -- Preface -- Software Selection and Copyright Notice -- Acknowledgments -- About the Authors -- List of Computer Files -- Chapter 1 Simulation of Adsorption Processes -- 1.1 Introduction to Gas‐phase Adsorption Technologies -- 1.2 Core Concepts in Gas Adsorption -- 1.2.1 The Adsorption Process -- 1.2.2 How the Driving Forces Achieve Separation -- 1.3 Isotherms -- 1.3.1 The Langmuir Isotherm (1918) -- 1.3.2 The Linear Isotherm -- 1.3.3 The Brunauer-Emmett-Teller (BET) Isotherm (1938) -- 1.3.4 The Freundlich Isotherm (1906) -- 1.3.5 The Sips (Langmuir-Freundlich) Isotherm (1948) -- 1.3.6 The Toth Isotherm (1971) -- 1.3.7 Summary -- 1.4 The Properties of Packed Beds -- 1.4.1 Void Fractions -- 1.4.2 External Voids -- 1.4.3 Internal Voids -- 1.4.4 Densities -- 1.4.4.1 Bulk Density -- 1.4.4.2 Skeletal or Solid Density -- 1.4.4.3 Envelope or Particle Density -- 1.4.4.4 Caveats -- 1.4.5 Relationships -- 1.4.6 Gas‐phase Behavior -- 1.4.6.1 Pressure Drop -- 1.4.6.2 Compressibility -- 1.5 PSA and TSA Implementation Details -- 1.5.1 Common Adsorbent Characteristics -- 1.5.2 Common Process Configurations -- 1.6 Introduction to Aspen Adsorption -- 1.7 PSA Workshop: Aspen Adsorption Modeling for Air Separation -- 1.7.1 Adding Components to an Aspen Adsorption Simulation -- 1.7.2 Creating a Flowsheet in Aspen Adsorption -- 1.7.3 Specifying Operating Conditions: Tables and Forms -- 1.7.4 Scheduling Events with the Cycle Organizer -- 1.7.5 Running an Aspen Simulation -- 1.7.6 Viewing and Exporting Simulation Results -- 1.8 PSA Workshop: Hydrogen Separation in Aspen Adsorption -- 1.8.1 Define the Components and Property Model -- 1.8.2 Creating a Flowsheet in Aspen Adsorption -- 1.8.3 Run a Breakthrough Simulation -- 1.8.4 Create the PSA Flowsheet. , 1.9 PSA Workshop: Modeling Hydrogen Separation using gCSS -- 1.9.1 Define the Components and Property Models -- 1.9.2 Working with Model Libraries: Advanced Flowsheet Options -- 1.9.3 Introduction to Scripting: Set Repeated Values and Initialize Blocks -- 1.9.4 Inspecting Blocks: Advanced Operating Conditions -- 1.9.5 Defining the Cycle Organizer -- 1.9.6 Viewing Results -- 1.10 TSA Workshop: Temperature Swing Adsorption for Air Drying -- 1.11 Conclusions -- 1.12 Practice Problems -- 1.12.1 Introducing a gas& -- uscore -- interaction Unit into Workshop 1 -- 1.12.2 Naphtha Upgrading Using Adsorption -- 1.13 Nomenclature -- Bibliography -- Books -- Journal Articles Specifically Utilizing Aspen Adsorption -- Journal Articles -- Chapter 2 Simulation of SMB Chromatographic Processes -- 2.1 Introduction to Chromatography -- 2.1.1 Mathematical Differences from Gas Adsorption -- 2.1.1.1 The Trace Liquid Assumption -- 2.1.1.2 Concentration Versus Partial Pressure -- 2.1.2 Thermodynamic Differences from Gas Adsorption -- 2.1.2.1 Isotherms -- 2.1.2.2 Physical Property Models -- 2.2 Introduction to SMB Chromatography -- 2.3 SMB Implementation Details -- 2.3.1 Common Process Configurations -- 2.3.2 M‐Values -- 2.3.3 Scale‐Up Concerns -- 2.3.4 Pressure Drop Limitations -- 2.3.5 Introduction to Operational Modes -- 2.4 SMB Workshop: Simulate a Four-Zone SMB in Aspen Chromatography for the Separation of Tröger's Base Enantiomers -- 2.4.1 Creating a Flowsheet in Aspen Chromatography -- 2.4.2 Adding Components to an Aspen Chromatography Simulation -- 2.4.3 The Chrom& -- uscore -- CCC& -- uscore -- separator2 Block -- 2.4.4 Viewing Results -- 2.5 Tandem SMB Workshop: Simulate a Separation with Dual SMB Columns -- 2.6 Practice Problems -- 2.6.1 Run Workshop 2.4 as a Steady‐State Simulation. , 2.6.2 Simulation of an Industrial‐Scale Xylene Separation Using Literature Data -- 2.6.3 Simulate a Five‐Zone SMB System for Separating Phenylalanine, Tryptophan, and Methionine -- Bibliography -- Books -- Journal Articles Specifically Utilizing Aspen Chromatography -- Journal Articles -- Chapter 3 Shortcut Design of SMB Systems -- 3.1 General Concepts -- 3.1.1 Mass Balances -- 3.1.2 Differential Equations -- 3.1.3 The Method of Characteristics -- 3.2 Triangle Theory -- 3.2.1 Notations -- 3.2.2 Introduction -- 3.2.3 Constraints on the System -- 3.3 Triangle Theory Workshop: Design of a System for the Separation of Amino Acids -- 3.4 Exercise 1: Calculating Transitions in a Fixed Bed Using Mathematica -- 3.4.1 Differential Equations - Analysis -- 3.4.2 Constructing the Solution from Eigenvectors and Eigenvalues -- 3.4.3 Use the Steady‐State Information to Constrain Operating Conditions -- 3.4.4 Calculate the Curves Defined by the Eigenvectors -- 3.4.5 Calculate the Eigenvalues along the Transition -- 3.4.6 Calculate the Concentrations in Time and Space -- 3.4.7 Account for Shock Waves -- 3.5 Exercise 2: Constructing the Constraints on the TMB System in Mathematica -- 3.6 Standing Wave Design -- 3.6.1 Standing Wave Design in a Nonlinear Ideal System -- 3.6.2 Standing Wave Design in a System with Nonlinear Isotherm and Significant Mass Transfer Effects -- 3.7 Standing Wave Design Workshop: Calculating the Operating Conditions for an Ideal and a Nonideal System -- 3.8 Conclusions -- 3.9 Practice Problems -- 3.9.1 Use the Triangle Theory Tool and the Standing Wave Design Tool to Create an Aspen Simulation of the Separation of 1‐phenol‐1‐propanol on Tribenzoate -- Bibliography -- Triangle Theory -- Standing Wave Design -- Chapter 4 Operational Modes of SMB Processes -- 4.1 Overview -- 4.2 Selection of Operational Modes -- 4.3 Varicol. , 4.3.1 Design Heuristics and Examples -- 4.3.2 Workshop 1: Apply Varicol to the 4‐Zone SMB Model -- 4.4 PowerFeed -- 4.4.1 Design Heuristics and Examples -- 4.4.2 Workshop 2: Apply PowerFeed to the Four‐Zone SMB Model -- 4.5 ModiCon -- 4.5.1 Design Heuristics and Examples -- 4.5.2 Workshop 3: Apply ModiCon to the 4‐Zone SMB Model -- 4.6 Combined Modes -- 4.6.1 Workshop 4: Extend Previously Created Flowsheets -- 4.7 Parallel Two Zones -- 4.7.1 Introduction to Parallel Two Zones -- 4.7.2 Specification Analysis -- 4.7.3 Importing Flowsheets -- 4.8 Conclusions -- 4.9 Practice Problems -- 4.9.1 Simulation of a Five‐Zone SMB Unit Using the ModiCon Operational Mode -- 4.9.2 Compare Parallel Two‐Zone Results with SMB Results -- Bibliography -- Chapter 5 Parameter Estimation, Regression, and Sensitivity of Adsorptive and Chromatographic Processes -- 5.1 Empirical Correlations for Physical Properties -- 5.1.1 Axial Dispersion Coefficient -- 5.1.2 Mass Transfer Coefficient -- 5.1.3 Caveats -- 5.2 Parameter Workshop: Regressing against Steady‐State Experiments -- 5.2.1 Introduction to "Experiments" In Aspen Software -- 5.2.2 Experimental Data -- 5.2.3 Parameter Regression in Excel -- 5.2.4 Parameter Regression in Aspen Chromatography -- 5.2.4.1 Defining an Estimation Flowsheet -- 5.2.4.2 Entering Experimental Data -- 5.2.4.3 Estimation Settings -- 5.2.4.4 Running an Estimation -- 5.2.5 Parameter Regression In Mathematica -- 5.2.5.1 Defining the Functions -- 5.2.5.2 Entering the Data -- 5.2.5.3 Regression -- 5.3 Parameter Workshop: Regressing Against Dynamic Experiments -- 5.3.1 Problem Description -- 5.3.2 Dynamic Estimation Settings -- 5.3.3 Performance Concerns -- 5.4 Xylene Parameter Regression -- 5.5 Conclusions -- 5.6 Practice Problems -- 5.6.1 Perform Dynamic Parameter Estimation in Aspen Adsorption. , 5.6.2 Sensitivity Analysis Using Scripts in Aspen Adsorption -- Bibliography -- Literature Cited in the Text -- Index -- EULA.