Design, simulation, and optimization of adsorptive and chromatographic separations: a hands-on approach
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| Main Authors: | , , |
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| Format: | Book |
| Language: | English |
| Published: |
Weinheim, Germany
Wiley-VCH
[2018]
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| Subjects: | |
| Online Access: | Inhaltsverzeichnis http://www.wiley-vch.de/publish/dt/books/ISBN978-3-527-34469-7/ Inhaltsverzeichnis |
| Physical Description: | xxiv, 408 Seiten Illustrationen, Diagramme 25 cm, 968 g |
| ISBN: | 9783527344697 3527344691 |
Staff View
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| 245 | 1 | 0 | |a Design, simulation, and optimization of adsorptive and chromatographic separations |b a hands-on approach |c Kevin R. Wood, Y.A. Liu, and Yueying Yu |
| 264 | 1 | |a Weinheim, Germany |b Wiley-VCH |c [2018] | |
| 264 | 4 | |c © 2018 | |
| 300 | |a xxiv, 408 Seiten |b Illustrationen, Diagramme |c 25 cm, 968 g | ||
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| 653 | |a Chemie | ||
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| 653 | |a Chemistry | ||
| 653 | |a Chromatographie | ||
| 653 | |a Chromatographie / Trennverfahren | ||
| 653 | |a Chromatography / Separation Techniques | ||
| 653 | |a Industrial Chemistry | ||
| 653 | |a Separations | ||
| 653 | |a Stofftrennverfahren | ||
| 653 | |a Technische u. Industrielle Chemie | ||
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Record in the Search Index
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| adam_text | CONTENTS
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 BRUNAUER-EMMETT-TELLER (BET) ISOTHERM (1938) 5
1.3.4 THE FREUNDLICH ISOTHERM (1906) 6
1.3.5 THE SIPS (LANGMUIR-FREUNDLICH) 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 PSA WORKSHOP: 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 PSA WORKSHOP: 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 PSA WORKSHOP: 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 TSA WORKSHOP: TEMPERATURE SWING ADSORPTION FOR AIR DRYING 128
1.11 CONCLUSIONS 140
1.12 PRACTICE PROBLEMS 143
1.12.1 INTRODUCING A GAS_INTERACTION UNIT INTO WORKSHOP 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 OPERATIONAL MODES 163
2.4 SMB WORKSHOP: SIMULATE A FOUR-ZONE SMB IN ASPEN
CHROMATOGRAPHY FOR THE SEPARATION OF TROGERS 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 SMB WORKSHOP: SIMULATE A SEPARATION WITH DUAL SMB
COLUMNS 192
2.6 PRACTICE PROBLEMS 194
2.6.1 RUN WORKSHOP 2.4 AS A STEADY-STATE SIMULATION 194
2.6.2 SIMULATION OF AN INDUSTRIAL-SCALE XYLENE SEPARATION USING
LITERATURE
DATA 200
2.6.3 SIMULATE A FIVE-ZONE SMB SYSTEM FOR SEPARATING PHENYLALANINE,
TRYPTOPHAN, AND METHIONINE 202
BIBLIOGRAPHY 206
3 SHORTCUT DESIGN OF SMB SYSTEMS 213
3.1 GENERAL CONCEPTS 213
3.1.1 MASS BALANCES 215
3.1.2 DIFFERENTIAL EQUATIONS 217
3.1.3 THE METHOD OF CHARACTERISTICS 218
3.2 TRIANGLE THEORY 219
3.2.1 NOTATIONS 219
3.2.2 INTRODUCTION 219
3.2.3 CONSTRAINTS ON THE SYSTEM 222
3.3 TRIANGLE THEORY WORKSHOP: DESIGN OF A SYSTEM FOR THE SEPARATION OF
AMINO ACIDS 224
3.4 EXERCISE 1: CALCULATING TRANSITIONS IN A FIXED BED USING
MATHEMATICA 230
3.4.1 DIFFERENTIAL EQUATIONS - ANALYSIS 232
3.4.2 CONSTRUCTING THE SOLUTION FROM EIGENVECTORS AND EIGENVALUES 238
3.4.3 USE THE STEADY-STATE INFORMATION TO CONSTRAIN OPERATING
CONDITIONS 239
3.4.4 CALCULATE THE CURVES DEFINED BY THE EIGENVECTORS 241
3.4.5 CALCULATE THE EIGENVALUES ALONG THE TRANSITION 244
3.4.6 CALCULATE THE CONCENTRATIONS IN TIME AND SPACE 246
3.4.7 ACCOUNT FOR SHOCK WAVES 246
3.5 EXERCISE 2: CONSTRUCTING THE CONSTRAINTS ON THE TMB SYSTEM
IN MATHEMATICA 249
3.6 STANDING WAVE DESIGN 253
3.6.1 STANDING WAVE DESIGN IN A NONLINEAR IDEAL SYSTEM 254
3.6.2 STANDING WAVE DESIGN IN A SYSTEM WITH NONLINEAR ISOTHERM AND
SIGNIFICANT MASS TRANSFER EFFECTS 261
3.7 STANDING WAVE DESIGN WORKSHOP: CALCULATING THE OPERATING
CONDITIONS FOR AN IDEAL AND A NONIDEAL SYSTEM 265
3.8 CONCLUSIONS 271
3.9 PRACTICE PROBLEMS 272
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 272
BIBLIOGRAPHY 274
4 OPERATIONAL MODES OF SMB PROCESSES 283
4.1 OVERVIEW 283
4.2 SELECTION OF OPERATIONAL MODES 284
4.3 VARICOL 284
4.3.1 DESIGN HEURISTICS AND EXAMPLES 286
4.3.2 WORKSHOP 1: APPLY VARICOL TO THE 4-ZONE SMB MODEL 287
4.4 POWERFEED 293
4.4.1 DESIGN HEURISTICS AND EXAMPLES 294
4.4.2 WORKSHOP 2: APPLY POWERFEED TO THE FOUR-ZONE SMB MODEL 297
4.5 MODICON 309
4.5.1 DESIGN HEURISTICS AND EXAMPLES 309
4.5.2 WORKSHOP 3: APPLY MODICON TO THE 4-ZONE SMB MODEL 315
4.6 COMBINED MODES 323
4.6.1 WORKSHOP 4: EXTEND PREVIOUSLY CREATED FLOWSHEETS 323
4.7 PARALLEL TWO ZONES 330
4.7.1 INTRODUCTION TO PARALLEL TWO ZONES 330
4.7.2 SPECIFICATION ANALYSIS 334
4.7.3 IMPORTING FLOWSHEETS 337
4.8 CONCLUSIONS 345
4.9 PRACTICE PROBLEMS 345
4.9.1 SIMULATION OF A FIVE-ZONE SMB UNIT USING THE MODICON OPERATIONAL
MODE 345
4.9.2 COMPARE PARALLEL TWO-ZONE RESULTS WITH SMB RESULTS 345
BIBLIOGRAPHY 347
5 PARAMETER ESTIMATION, REGRESSION, AND SENSITIVITY OF
ADSORPTIVE AND CHROMATOGRAPHIC PROCESSES 349
5.1 EMPIRICAL CORRELATIONS FOR PHYSICAL PROPERTIES 349
5.1.1 AXIAL DISPERSION COEFFICIENT 349
5.1.2 MASS TRANSFER COEFFICIENT 350
5.1.3 CAVEATS 351
5.2 PARAMETER WORKSHOP: REGRESSING AGAINST STEADY-STATE
EXPERIMENTS 351
5.2.1 INTRODUCTION TO EXPERIMENTS IN ASPEN SOFTWARE 351
5.2.2 EXPERIMENTAL DATA 352
5.2.3 PARAMETER REGRESSION IN EXCEL 352
5.2.4 PARAMETER REGRESSION IN ASPEN CHROMATOGRAPHY 363
5.2.4.1 DEFINING AN ESTIMATION FLOWSHEET 363
5.2A2 ENTERING EXPERIMENTAL DATA 364
5.2.4.3 ESTIMATION SETTINGS 368
5.2A4 RUNNING AN ESTIMATION 370
5.2.5 PARAMETER REGRESSION IN MATHEMATICA 370
5.2.5.1 DEFINING THE FUNCTIONS 371
5.2.5.2 ENTERING THE DATA 372
5.2.5.5 REGRESSION 375
5.3 PARAMETER WORKSHOP: REGRESSING AGAINST DYNAMIC EXPERIMENTS 376
5.3.1 PROBLEM DESCRIPTION 376
5.3.2 DYNAMIC ESTIMATION SETTINGS 376
5.3.3 PERFORMANCE CONCERNS 380
5.4 XYLENE PARAMETER REGRESSION 380
5.5 CONCLUSIONS 386
5.6 PRACTICE PROBLEMS 387
5.6.1 PERFORM DYNAMIC PARAMETER ESTIMATION IN ASPEN ADSORPTION 387
5.6.2 SENSITIVITY ANALYSIS USING SCRIPTS IN ASPEN ADSORPTION 389
BIBLIOGRAPHY 393
LITERATURE CITED IN THE TEXT 395
INDEX 399
|
| any_adam_object | 1 |
| author | Wood, Kevin R. Liu, Y. A. 1946- Yu, Yueying |
| author_GND | (DE-588)1159928304 (DE-588)1023031272 (DE-588)1159928401 |
| author_facet | Wood, Kevin R. Liu, Y. A. 1946- Yu, Yueying |
| author_role | aut aut aut |
| author_sort | Wood, Kevin R. |
| author_variant | k r w kr krw y a l ya yal y y yy |
| building | Verbundindex |
| bvnumber | BV045230110 |
| classification_rvk | VC 6340 VG 7200 |
| ctrlnum | (OCoLC)1037568152 (DE-599)DNB1145063632 |
| dewey-full | 543.0890218 660.2842 |
| dewey-hundreds | 500 - Natural sciences and mathematics 600 - Technology (Applied sciences) |
| dewey-ones | 543 - Analytical chemistry 660 - Chemical engineering |
| dewey-raw | 543.0890218 660.2842 |
| dewey-search | 543.0890218 660.2842 |
| dewey-sort | 3543.0890218 |
| dewey-tens | 540 - Chemistry and allied sciences 660 - Chemical engineering |
| discipline | Chemie / Pharmazie |
| format | Book |
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Industrielle Chemie</subfield></datafield><datafield tag="689" ind1="0" ind2="0"><subfield code="a">Adsorption</subfield><subfield code="0">(DE-588)4000536-7</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2="1"><subfield code="a">Prozesssimulation</subfield><subfield code="0">(DE-588)4176077-3</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2=" "><subfield code="5">DE-604</subfield></datafield><datafield tag="689" ind1="1" ind2="0"><subfield code="a">Simulierte Gegenstromchromatographie</subfield><subfield code="0">(DE-588)4602887-0</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="1" ind2="1"><subfield code="a">Prozesssimulation</subfield><subfield code="0">(DE-588)4176077-3</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="1" ind2=" "><subfield code="5">DE-604</subfield></datafield><datafield tag="689" ind1="2" ind2="0"><subfield code="a">Adsorptionschromatographie</subfield><subfield code="0">(DE-588)4068422-2</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="2" ind2="1"><subfield code="a">Simulierte Gegenstromchromatographie</subfield><subfield code="0">(DE-588)4602887-0</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="2" ind2="2"><subfield code="a">Prozessentwicklung</subfield><subfield code="g">Technik</subfield><subfield code="0">(DE-588)4278925-4</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="2" ind2="3"><subfield code="a">Parameteridentifikation</subfield><subfield code="0">(DE-588)4210689-8</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="2" ind2=" "><subfield code="5">DE-604</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Liu, Y. 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| id | DE-604.BV045230110 |
| illustrated | Illustrated |
| indexdate | 2024-07-10T08:12:12Z |
| institution | BVB |
| institution_GND | (DE-588)16179388-5 |
| isbn | 9783527344697 3527344691 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-030618502 |
| oclc_num | 1037568152 |
| open_access_boolean | |
| owner | DE-19 DE-BY-UBM DE-83 |
| owner_facet | DE-19 DE-BY-UBM DE-83 |
| physical | xxiv, 408 Seiten Illustrationen, Diagramme 25 cm, 968 g |
| publishDate | 2018 |
| publishDateSearch | 2018 |
| publishDateSort | 2018 |
| publisher | Wiley-VCH |
| record_format | marc |
| spelling | Wood, Kevin R. Verfasser (DE-588)1159928304 aut Design, simulation, and optimization of adsorptive and chromatographic separations a hands-on approach Kevin R. Wood, Y.A. Liu, and Yueying Yu Weinheim, Germany Wiley-VCH [2018] © 2018 xxiv, 408 Seiten Illustrationen, Diagramme 25 cm, 968 g txt rdacontent n rdamedia nc rdacarrier Chromatographic analysis-Standards Prozesssimulation (DE-588)4176077-3 gnd rswk-swf Simulierte Gegenstromchromatographie (DE-588)4602887-0 gnd rswk-swf Prozessentwicklung Technik (DE-588)4278925-4 gnd rswk-swf Adsorptionschromatographie (DE-588)4068422-2 gnd rswk-swf Adsorption (DE-588)4000536-7 gnd rswk-swf Parameteridentifikation (DE-588)4210689-8 gnd rswk-swf Adsorption Chemical Engineering Chemie Chemische Verfahrenstechnik Chemistry Chromatographie Chromatographie / Trennverfahren Chromatography / Separation Techniques Industrial Chemistry Separations Stofftrennverfahren Technische u. Industrielle Chemie Adsorption (DE-588)4000536-7 s Prozesssimulation (DE-588)4176077-3 s DE-604 Simulierte Gegenstromchromatographie (DE-588)4602887-0 s Adsorptionschromatographie (DE-588)4068422-2 s Prozessentwicklung Technik (DE-588)4278925-4 s Parameteridentifikation (DE-588)4210689-8 s Liu, Y. A. 1946- Verfasser (DE-588)1023031272 aut Yu, Yueying Verfasser (DE-588)1159928401 aut Wiley-VCH (DE-588)16179388-5 pbl Erscheint auch als Online-Ausgabe, PDF 978-3-527-81499-2 Erscheint auch als Online-Ausgabe, EPUB 978-3-527-81501-2 Erscheint auch als Online-Ausgabe, MOBI 978-3-527-81500-5 Erscheint auch als Online-Ausgabe, OBOOK 978-3-527-81502-9 B:DE-101 application/pdf http://d-nb.info/1145063632/04 Inhaltsverzeichnis X:MVB http://www.wiley-vch.de/publish/dt/books/ISBN978-3-527-34469-7/ DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=030618502&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Wood, Kevin R. Liu, Y. A. 1946- Yu, Yueying Design, simulation, and optimization of adsorptive and chromatographic separations a hands-on approach Chromatographic analysis-Standards Prozesssimulation (DE-588)4176077-3 gnd Simulierte Gegenstromchromatographie (DE-588)4602887-0 gnd Prozessentwicklung Technik (DE-588)4278925-4 gnd Adsorptionschromatographie (DE-588)4068422-2 gnd Adsorption (DE-588)4000536-7 gnd Parameteridentifikation (DE-588)4210689-8 gnd |
| subject_GND | (DE-588)4176077-3 (DE-588)4602887-0 (DE-588)4278925-4 (DE-588)4068422-2 (DE-588)4000536-7 (DE-588)4210689-8 |
| title | Design, simulation, and optimization of adsorptive and chromatographic separations a hands-on approach |
| title_auth | Design, simulation, and optimization of adsorptive and chromatographic separations a hands-on approach |
| title_exact_search | Design, simulation, and optimization of adsorptive and chromatographic separations a hands-on approach |
| title_full | Design, simulation, and optimization of adsorptive and chromatographic separations a hands-on approach Kevin R. Wood, Y.A. Liu, and Yueying Yu |
| title_fullStr | Design, simulation, and optimization of adsorptive and chromatographic separations a hands-on approach Kevin R. Wood, Y.A. Liu, and Yueying Yu |
| title_full_unstemmed | Design, simulation, and optimization of adsorptive and chromatographic separations a hands-on approach Kevin R. Wood, Y.A. Liu, and Yueying Yu |
| title_short | Design, simulation, and optimization of adsorptive and chromatographic separations |
| title_sort | design simulation and optimization of adsorptive and chromatographic separations a hands on approach |
| title_sub | a hands-on approach |
| topic | Chromatographic analysis-Standards Prozesssimulation (DE-588)4176077-3 gnd Simulierte Gegenstromchromatographie (DE-588)4602887-0 gnd Prozessentwicklung Technik (DE-588)4278925-4 gnd Adsorptionschromatographie (DE-588)4068422-2 gnd Adsorption (DE-588)4000536-7 gnd Parameteridentifikation (DE-588)4210689-8 gnd |
| topic_facet | Chromatographic analysis-Standards Prozesssimulation Simulierte Gegenstromchromatographie Prozessentwicklung Technik Adsorptionschromatographie Adsorption Parameteridentifikation |
| url | http://d-nb.info/1145063632/04 http://www.wiley-vch.de/publish/dt/books/ISBN978-3-527-34469-7/ http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=030618502&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT woodkevinr designsimulationandoptimizationofadsorptiveandchromatographicseparationsahandsonapproach AT liuya designsimulationandoptimizationofadsorptiveandchromatographicseparationsahandsonapproach AT yuyueying designsimulationandoptimizationofadsorptiveandchromatographicseparationsahandsonapproach AT wileyvch designsimulationandoptimizationofadsorptiveandchromatographicseparationsahandsonapproach |
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