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Design, simulation and optimization of adsorptive and chromatographic separations : a hands-on approach / Kevin R. Wood, Y.A. Liu and Yueying Yu.

By: Wood, Kevin R [author.].
Contributor(s): Liu, Y. A. (Yih An) [author.] | Yu, Yueying [author.].
Material type: materialTypeLabelBookPublisher: Weinheim, Germany : Wiley-VCH, [2018]Description: 1 online resource : illustrations.Content type: text Media type: computer Carrier type: online resourceISBN: 9783527814992; 352781499X; 9783527815029; 3527815023.Subject(s): Adsorption -- Simulation methods | Chromatographic analysis -- Simulation methods | Separation (Technology) | Chemistry, Analytic | SCIENCE -- Chemistry -- Physical & Theoretical | Chemistry, Analytic | Separation (Technology)Genre/Form: Electronic books.DDC classification: 541/.33 Online resources: Wiley Online Library
Contents:
1 SIMULATION OF ADSORPTION PROCESSES 4; 1.1 INTRODUCTION TO GAS-PHASE ADSORPTION TECHNOLOGIES 4; 1.2 CORE CONCEPTS IN GAS ADSORPTION 5; 1.2.1 THE ADSORPTION PROCESS 5; 1.2.2 HOW THE DRIVING FORCES ACHIEVE SEPARATION 6; 1.3 ISOTHERMS 7; 1.3.1 THE LANGMUIR ISOTHERM[8] (1918) 8; 1.3.2 THE LINEAR ISOTHERM 8; 1.3.3 THE BRUNAUER?EMMETT?TELLER (BET) ISOTHERM[9] (1938) 8; 1.3.4 THE FREUNDLICH ISOTHERM[10] (1906) 8; 1.3.5 THE SIPS (LANGMUIR-FREUNDLICH) ISOTHERM[11] (1948) 8; 1.3.6 THE TOTH ISOTHERM[12] (1971) 9; 1.3.7 SUMMARY 9; 1.4 THE PROPERTIES OF PACKED BEDS 9; 1.4.1 VOID FRACTIONS 10; 1.4.2 EXTERNAL VOIDS 11; 1.4.3 INTERNAL VOIDS 11; 1.4.4 DENSITIES 12; 1.4.5 RELATIONSHIPS 13; 1.4.6 GAS-PHASE BEHAVIOR 14; 1.5 PSA AND TSA IMPLEMENTATION DETAILS 15; 1.5.1 COMMON ADSORBENT CHARACTERISTICS 15; 1.5.2 COMMON PROCESS CONFIGURATIONS 16; 1.6 INTRODUCTION TO ASPEN ADSORPTION 18; 1.7 PSA WORKSHOP: ASPEN ADSORPTION MODELING.
FOR AIR SEPARATION 19; 1.7.1 ADDING COMPONENTS TO AN ASPEN ADSORPTION SIMULATION 21; 1.7.2 CREATING A FLOWSHEET IN ASPEN ADSORPTION 26; 1.7.3 SPECIFYING OPERATING CONDITIONS: TABLES AND FORMS 34; 1.7.4 SCHEDULING EVENTS WITH THE CYCLE ORGANIZER 43; 1.7.5 RUNNING AN ASPEN SIMULATION 56; 1.7.6 VIEWING AND EXPORTING SIMULATION RESULTS 56; 1.8 PSA WORKSHOP: HYDROGEN SEPARATION IN ASPEN ADSORPTION 60; 1.8.1 CREATING A FLOWSHEET IN ASPEN ADSORPTION 66; 1.8.2 RUN A BREAKTHOUGH SIMULATION 69; 1.8.3 CREATE THE PSA FLOWSHEET 81; 1.9 PSA WORKSHOP: MODELING HYDROGEN SEPARATION USING GCSS 92; 1.9.1 WORKING WITH MODEL LIBRARIES: ADVANCED FLOWSHEET OPTIONS 97; 1.9.2 INTRODUCTION TO SCRIPTING: SET REPEATED VALUES AND INITIALIZE BLOCKS 110; 1.9.3 INSPECTING BLOCKS: ADVANCED OPERATING CONDITIONS 112; 1.9.4 DEFINING THE CYCLE ORGANIZER 124; 1.9.5 VIEWING RESULTS 128; 1.10 CONCLUSIONS 130; 1.11 PRACTICE PROBLEMS 131; 1.11.1 INTRODUCING A.
GAS_INTERACTION UNIT INTO WORKSHOP 1 131; 1.11.2 NAPTHA UPGRADING USING ADSORPTION 132; 1.12 NOMENCLATURE 137; 1.13 FURTHER READING 139; 1.13.1 BOOKS 139; 1.13.2 JOURNAL ARTICLES SPECIFICALLY UTILIZING ASPEN ADSORPTION 139; 1.13.3 JOURNAL ARTICLES 141; 2 SIMULATION OF SMB CHROMATOGRAPHIC PROCESSES 144; 2.1 INTRODUCTION TO CHROMATOGRAPHY 144; 2.1.1 MATHEMATICAL DIFFERENCES FROM GAS ADSORPTION 144; 2.1.2 THERMODYNAMIC DIFFERENCES FROM GAS ADSORPTION 144; 2.2 INTRODUCTION TO SMB CHROMATOGRAPHY 145; 2.3 SMB IMPLEMENTATION DETAILS 146; 2.3.1 COMMON PROCESS CONFIGURATIONS 146; 2.3.2 M-VALUES 148; 2.3.3 SCALE-UP CONCERNS 149; 2.3.4 PRESSURE DROP LIMITATIONS 150; 2.3.5 INTRODUCTION TO OPERATIONAL MODES 151; 2.4 SMB WORKSHOP: SIMULATE A 4-ZONE SMB IN ASPEN CHROMATOGRAPHY FOR THE SEPARATION OF TRÖGERS?S BASE ENANTIOMERS 151; 2.4.1 CREATING A FLOWSHEET IN ASPEN CHROMATOGRAPHY 151; 2.4.2 ADDING COMPONENTS TO AN ASPEN CHROMATOGRAPHY.
SIMULATION 152; 2.4.3 THE CHROM_CCC_SEPARATOR2 BLOCK 153; 2.4.4 VIEWING RESULTS 177; 2.5 TANDEM SMB WORKSHOP: SIMULATE A SEPARATION WITH DUAL SMB COLUMNS 182; 2.6 PRACTICE PROBLEMS 192; 2.6.1 RUN WORKSHOP 2.4 AS A STEADY- STATE SIMULATION 192; 2.6.2 SIMULATION OF AN INDUSTRIAL-SCALE XYLENE SEPARATION USING LITERATURE DATA 193; 2.6.3 SIMULATE A 5-ZONE SMB SYSTEM FOR SEPARATING PHENYLALANINE,
TRYPTOPHAN AND METHIONINE 196; 2.7 FURTHER READING 202; 2.7.1 BOOKS 202; 2.7.2 JOURNAL ARTICLES SPECIFICALLY UTILIZING ASPEN CHROMATOGRAPHY 202; 2.7.3 JOURNAL ARTICLES 205; 3 SHORTCUT DESIGN OF SMB SYSTEMS 209; 3.1 GENERAL CONCEPTS 209; 3.1.1 MASS BALANCES 211; 3.2 TRIANGLE THEORY 213; 3.2.1 NOTATION 213; 3.2.2 INTRODUCTION 214; 3.2.3 CONSTRAINTS ON THE SYSTEM 216; 3.3 TRIANGLE THEORY WORKSHOP: DESIGN OF A SYSTEM FOR THE SEPARATION OF AMINO ACIDS 217; 3.4 EXERCISE 1: CALCULATING TRANSITIONS IN A FIXED BED USING MATHEMATICA 228; 3.4.1 DIFFERENTIAL EQUATIONS? ANALYSIS 228; 3.4.2 CONSTRUCTING THE SOLUTION FROM EIGENVECTORS AND EIGENVALUES 231; 3.4.3 USE THE STEADY- STATE INFORMATION TO CONSTRAIN OPERATING CONDITIONS 232; 3.4.4 EXERCISE 2: CONSTRUCTING THE CONSTRAINTS ON THE TMB SYSTEM IN MATHEMATICA 245; 3.5 STANDING WAVE DESIGN 249; 3.5.1 STANDING WAVE DESIGN IN A NONLINEAR IDEAL SYSTEM 250; 3.5.
Summary: This book allows the reader to effectively design, simulate and optimize adsorptive and chromatographic separations for industrial applications. To achieve this, a unified approach is presented, which develops the ideal and intermediate equations necessary, while simultaneously offering hands-on case studies employing the rigorous simulation packages Aspen Adsorption and Aspen Chromatography. The first part of the book deals with design strategies, detailed design considerations and the assumptions, which the models are allowed to make and covers shortcut design methods as well as mathematical tools to determine optimal operating conditions. These insights are used in Chapter 4 & 5 to estimate and optimize performance parameters, such as purity, recovery, etc. as well as the regression of these parameters.
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Includes bibliographical references and index.

Online resource; title from PDF title page (EBSCO, viewed March 08, 2018).

1 SIMULATION OF ADSORPTION PROCESSES 4; 1.1 INTRODUCTION TO GAS-PHASE ADSORPTION TECHNOLOGIES 4; 1.2 CORE CONCEPTS IN GAS ADSORPTION 5; 1.2.1 THE ADSORPTION PROCESS 5; 1.2.2 HOW THE DRIVING FORCES ACHIEVE SEPARATION 6; 1.3 ISOTHERMS 7; 1.3.1 THE LANGMUIR ISOTHERM[8] (1918) 8; 1.3.2 THE LINEAR ISOTHERM 8; 1.3.3 THE BRUNAUER?EMMETT?TELLER (BET) ISOTHERM[9] (1938) 8; 1.3.4 THE FREUNDLICH ISOTHERM[10] (1906) 8; 1.3.5 THE SIPS (LANGMUIR-FREUNDLICH) ISOTHERM[11] (1948) 8; 1.3.6 THE TOTH ISOTHERM[12] (1971) 9; 1.3.7 SUMMARY 9; 1.4 THE PROPERTIES OF PACKED BEDS 9; 1.4.1 VOID FRACTIONS 10; 1.4.2 EXTERNAL VOIDS 11; 1.4.3 INTERNAL VOIDS 11; 1.4.4 DENSITIES 12; 1.4.5 RELATIONSHIPS 13; 1.4.6 GAS-PHASE BEHAVIOR 14; 1.5 PSA AND TSA IMPLEMENTATION DETAILS 15; 1.5.1 COMMON ADSORBENT CHARACTERISTICS 15; 1.5.2 COMMON PROCESS CONFIGURATIONS 16; 1.6 INTRODUCTION TO ASPEN ADSORPTION 18; 1.7 PSA WORKSHOP: ASPEN ADSORPTION MODELING.

FOR AIR SEPARATION 19; 1.7.1 ADDING COMPONENTS TO AN ASPEN ADSORPTION SIMULATION 21; 1.7.2 CREATING A FLOWSHEET IN ASPEN ADSORPTION 26; 1.7.3 SPECIFYING OPERATING CONDITIONS: TABLES AND FORMS 34; 1.7.4 SCHEDULING EVENTS WITH THE CYCLE ORGANIZER 43; 1.7.5 RUNNING AN ASPEN SIMULATION 56; 1.7.6 VIEWING AND EXPORTING SIMULATION RESULTS 56; 1.8 PSA WORKSHOP: HYDROGEN SEPARATION IN ASPEN ADSORPTION 60; 1.8.1 CREATING A FLOWSHEET IN ASPEN ADSORPTION 66; 1.8.2 RUN A BREAKTHOUGH SIMULATION 69; 1.8.3 CREATE THE PSA FLOWSHEET 81; 1.9 PSA WORKSHOP: MODELING HYDROGEN SEPARATION USING GCSS 92; 1.9.1 WORKING WITH MODEL LIBRARIES: ADVANCED FLOWSHEET OPTIONS 97; 1.9.2 INTRODUCTION TO SCRIPTING: SET REPEATED VALUES AND INITIALIZE BLOCKS 110; 1.9.3 INSPECTING BLOCKS: ADVANCED OPERATING CONDITIONS 112; 1.9.4 DEFINING THE CYCLE ORGANIZER 124; 1.9.5 VIEWING RESULTS 128; 1.10 CONCLUSIONS 130; 1.11 PRACTICE PROBLEMS 131; 1.11.1 INTRODUCING A.

GAS_INTERACTION UNIT INTO WORKSHOP 1 131; 1.11.2 NAPTHA UPGRADING USING ADSORPTION 132; 1.12 NOMENCLATURE 137; 1.13 FURTHER READING 139; 1.13.1 BOOKS 139; 1.13.2 JOURNAL ARTICLES SPECIFICALLY UTILIZING ASPEN ADSORPTION 139; 1.13.3 JOURNAL ARTICLES 141; 2 SIMULATION OF SMB CHROMATOGRAPHIC PROCESSES 144; 2.1 INTRODUCTION TO CHROMATOGRAPHY 144; 2.1.1 MATHEMATICAL DIFFERENCES FROM GAS ADSORPTION 144; 2.1.2 THERMODYNAMIC DIFFERENCES FROM GAS ADSORPTION 144; 2.2 INTRODUCTION TO SMB CHROMATOGRAPHY 145; 2.3 SMB IMPLEMENTATION DETAILS 146; 2.3.1 COMMON PROCESS CONFIGURATIONS 146; 2.3.2 M-VALUES 148; 2.3.3 SCALE-UP CONCERNS 149; 2.3.4 PRESSURE DROP LIMITATIONS 150; 2.3.5 INTRODUCTION TO OPERATIONAL MODES 151; 2.4 SMB WORKSHOP: SIMULATE A 4-ZONE SMB IN ASPEN CHROMATOGRAPHY FOR THE SEPARATION OF TRÖGERS?S BASE ENANTIOMERS 151; 2.4.1 CREATING A FLOWSHEET IN ASPEN CHROMATOGRAPHY 151; 2.4.2 ADDING COMPONENTS TO AN ASPEN CHROMATOGRAPHY.

SIMULATION 152; 2.4.3 THE CHROM_CCC_SEPARATOR2 BLOCK 153; 2.4.4 VIEWING RESULTS 177; 2.5 TANDEM SMB WORKSHOP: SIMULATE A SEPARATION WITH DUAL SMB COLUMNS 182; 2.6 PRACTICE PROBLEMS 192; 2.6.1 RUN WORKSHOP 2.4 AS A STEADY- STATE SIMULATION 192; 2.6.2 SIMULATION OF AN INDUSTRIAL-SCALE XYLENE SEPARATION USING LITERATURE DATA 193; 2.6.3 SIMULATE A 5-ZONE SMB SYSTEM FOR SEPARATING PHENYLALANINE,

TRYPTOPHAN AND METHIONINE 196; 2.7 FURTHER READING 202; 2.7.1 BOOKS 202; 2.7.2 JOURNAL ARTICLES SPECIFICALLY UTILIZING ASPEN CHROMATOGRAPHY 202; 2.7.3 JOURNAL ARTICLES 205; 3 SHORTCUT DESIGN OF SMB SYSTEMS 209; 3.1 GENERAL CONCEPTS 209; 3.1.1 MASS BALANCES 211; 3.2 TRIANGLE THEORY 213; 3.2.1 NOTATION 213; 3.2.2 INTRODUCTION 214; 3.2.3 CONSTRAINTS ON THE SYSTEM 216; 3.3 TRIANGLE THEORY WORKSHOP: DESIGN OF A SYSTEM FOR THE SEPARATION OF AMINO ACIDS 217; 3.4 EXERCISE 1: CALCULATING TRANSITIONS IN A FIXED BED USING MATHEMATICA 228; 3.4.1 DIFFERENTIAL EQUATIONS? ANALYSIS 228; 3.4.2 CONSTRUCTING THE SOLUTION FROM EIGENVECTORS AND EIGENVALUES 231; 3.4.3 USE THE STEADY- STATE INFORMATION TO CONSTRAIN OPERATING CONDITIONS 232; 3.4.4 EXERCISE 2: CONSTRUCTING THE CONSTRAINTS ON THE TMB SYSTEM IN MATHEMATICA 245; 3.5 STANDING WAVE DESIGN 249; 3.5.1 STANDING WAVE DESIGN IN A NONLINEAR IDEAL SYSTEM 250; 3.5.

This book allows the reader to effectively design, simulate and optimize adsorptive and chromatographic separations for industrial applications. To achieve this, a unified approach is presented, which develops the ideal and intermediate equations necessary, while simultaneously offering hands-on case studies employing the rigorous simulation packages Aspen Adsorption and Aspen Chromatography. The first part of the book deals with design strategies, detailed design considerations and the assumptions, which the models are allowed to make and covers shortcut design methods as well as mathematical tools to determine optimal operating conditions. These insights are used in Chapter 4 & 5 to estimate and optimize performance parameters, such as purity, recovery, etc. as well as the regression of these parameters.

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