Verfügbarkeit: Integrated chemical processes in liquid multiphase systems

Integrated chemical processes in liquid multiphase systems: from chemical reaction to process design and operation

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Weitere Verfasser:	Kraume, Matthias (HerausgeberIn), Enders, Sabine (HerausgeberIn), Drews, Anja (HerausgeberIn), Schomäcker, Reinhard 1959- (HerausgeberIn), Engell, Sebastian (HerausgeberIn), Sundmacher, Kai (HerausgeberIn)
Format:	Buch
Sprache:	English
Veröffentlicht:	Berlin De Gruyter [2022]
Schlagworte:	Verfahrenstechnik Chemische Verfahrenstechnik Mehrphasensystem Technische Chemie Flüssigkeit Chemie-Ingenieurwesen Prozessentwicklung > Technik Chemische Reaktion Prozessoptimierung
Online-Zugang:	Inhaltsverzeichnis
Beschreibung:	XXXV, 587 Seiten Illustrationen, Diagramme 24 cm x 17 cm
ISBN:	9783110709438 3110709430

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700	1		\|a Enders, Sabine \|4 edt
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700	1		\|a Schomäcker, Reinhard \|d 1959- \|0 (DE-588)1205917934 \|4 edt
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Datensatz im Suchindex

_version_	1806055224470667264
adam_text	CONTENTS FOREWORD - XIII LIST OF AUTHORS - XV ABBREVIATIONS - XXI LIST OF SYMBOLS - XXVII MATTHIAS KRAUME 1 MOTIVATION AND OBJECTIVES - 1 1.1 GOALS AND SCIENTIFIC CONCEPT - 3 1.2 ADVANCED PHASE SYSTEMS - 5 1.2.1 THERMOMORPHIC MULTIPHASE SYSTEMS - 6 1.2.2 MICROEMULSION SYSTEMS - 7 1.2.3 PICKERING EMULSIONS ---- 7 1.3 MATERIAL BASIS AND REACTIONS - 9 1.4 MODEL PROCESS ----- 11 1.5 CHALLENGES OF THE FUNDAMENTAL INVESTIGATIONS - 12 1.5.1 CHEMICAL-PHYSICAL FUNDAMENTALS - 13 1.5.2 PROCESS TECHNOLOGY - 15 1.5.3 SYSTEMS TECHNOLOGY - 18 1.6 STRUCTURE OF THE BOOK - 20 REFERENCES - 21 MATTHIAS KRAUME 2 STATE OF THE ART OF THE INVESTIGATED PHASE SYSTEMS - 23 2.1 THERMOMORPHIC MULTIPHASE SYSTEMS ---- 24 2.1.1 INTRODUCTION ---- 24 2.1.2 FUNDAMENTALS AND THERMODYNAMICS ---- 25 2.1.3 REACTIONS IN TMS AND REMAINING CHALLENGES ---- 31 2.2 MICROEMULSION SYSTEMS ---- 32 2.2.1 INTRODUCTION ---- 32 2.2.2 FUNDAMENTALS ---- 33 2.2.2.1 PROPERTIES AND PHASE BEHAVIOR OF MICROEMULSION SYSTEMS - 33 2.2.2.2 FEATURES AND DESCRIPTION OF THE THREE-PHASE BODY 35 2.2.2.3 COALESCENCE BEHAVIOR AND SEPARATION DYNAMICS - 36 2.2.3 INDUSTRIAL APPLICATIONS AND REMAINING CHALLENGES - 39 VI - CONTENTS 2.3 PICKERING EMULSIONS - 40 2.3.1 INTRODUCTION -----40 2.3.2 FUNDAMENTALS -----40 2.3.2.1 STABILIZING MECHANISM ---- 40 2.3.2.2 PROPERTIES OF PICKERING EMULSIONS ----- 41 2.3.3 REACTIONS IN PICKERING EMULSIONS ----- 42 2.3.4 REMAINING CHALLENGES ----- 42 2.3.4.1 PICKERING EMULSION CHARACTERIZATION AND PROPERTIES ---- 43 2.3.4.2 MASS TRANSFER AND LOCATION OF CATALYST - 44 2.3.4.3 CONTINUOUS L/L SEPARATION FOR CATALYST RETENTION - 44 2.4 REACTION INDICATORS ---- 45 REFERENCES - 48 SABINE ENDERS 3 THERMODYNAMICS, KINETICS, AND MASS TRANSFER - 55 3.1 THERMODYNAMICS ---- 55 3.1.1 HETEROSEGMENTED PERTURBED-CHAIN STATISTICAL ASSOCIATING FLUID THEORY 56 3.1.2 LATTICE CLUSTER THEORY ----- 57 3.1.3 PHASE EQUILIBRIA ----- 58 3.1.4 INTERFACIAL PROPERTIES - 71 3.1.5 REACTION EQUILIBRIA ----- 84 3.1.6 AGGREGATION FORMATION OF AQUEOUS SURFACTANT SOLUTIONS - 90 3.1.7 SOLUBILIZATION OF WEAK POLAR MOLECULES IN AQUEOUS SURFACTANT SOLUTIONS - 96 3.1.8 CONCLUSION ---- 100 3.2 KINETIC MODELING OF COMPLEX CATALYTIC REACTIONS IN MULTIPHASE SYSTEMS 101 3.2.1 INTRODUCTION ---- 101 3.2.2 METHODOLOGICAL APPROACH ---- 102 3.2.2.1 REACTION NETWORK INVESTIGATION ---- 102 3.2.2.2 DERIVATION OF EXPLICIT RATE EQUATIONS ---- 108 3.2.2.3 REDUCTION OF KINETIC MODELS ----- 117 3.2.3 DEMONSTRATION OF CONCEPT FOR COUPLED NETWORKS - 136 3.2.3.1 ISOMERIZING HYDROFORMYLATION - 137 3.2.3.2 OVERALL REACTION NETWORK OF TANDEM HYDROAMINOMETHYLATION ---- 142 CONTENTS - VII 3.2.4 THERMODYNAMIC OUTLOOK ---- 144 3.2.5 SUMMARY ---- 148 3.3 MASS TRANSFER PROCESSES - 149 3.3.1 INTRODUCTION ---- 149 3.3.2 EXPERIMENTAL CHARACTERIZATION OF MULTIPHASE LIQUID-LIQUID MASS TRANSPORT - 150 3.3.2.1 SINGLE DROP EXPERIMENTS ---- 150 3.3.2.2 MODIFIED NITSCH CELL ----- 153 3.3.2.3 STIRRED TANK REACTOR ---- 155 3.3.3 EXPERIMENTAL CHARACTERIZATION OF MULTIPHASE GAS-LIQUID MASS TRANSPORT - 156 3.3.3.1 DETERMINATION OF K L A FROM PRESSURE DECREASE IN A CLOSED SYSTEM - 156 3.3.3.2 STIRRED TANK REACTOR ---- 159 3.3.3.3 FALLING FILM CONTACTOR --- 160 3.3.4 GAS-LIQUID MASS TRANSFER ---- 162 3.3.5 EFFECT OF MASS TRANSFER ON REACTION SELECTIVITY ----- 170 REFERENCES - 175 ANJA DREWS, REINHARD SCHOMACKER 4 PHASE SYSTEMS CHARACTERIZATION AND PROCESS DEVELOPMENT - 189 4.1 THERMOMORPHIC MULTIPHASE SYSTEMS - 190 4.1.1 PHASE SYSTEM CHARACTERIZATION - 190 4.1.2 MASS TRANSFER IN THERMOMORPHIC MULTIPHASE SYSTEMS ----- 192 4.1.3 APPLICATIONS ---- 197 4.1.4 RECENT DEVELOPMENTS IN TMSS ---- 219 4.1.4.1 COMBINATION OF TMSS WITH OTHER REACTOR TYPES ----- 222 4.1.4.2 IMPROVED ONLINE ANALYTICS ---- 223 4.1.4.3 APPLICATION OF TMSS FOR COMPLEX REACTIONS IN CONTINUOUS OPERATION ----- 224 4.1.4.4 COMBINED REACTION SEPARATION PROCESSES - 229 4.1.5 SUMMARY AND OUTLOOK ---- 234 4.2 MICROEMULSION SYSTEMS ---- 236 4.2.1 PHASE SYSTEM CHARACTERIZATION AND SYSTEMATIC ANALYSIS OF MES FOR THE SELECTED REACTION ----- 239 4.2.1.1 DISPERSION TYPES IN MICELLAR MULTIPHASE SYSTEMS ----- 239 4.2.1.2 LOCALIZATION OF THE CATALYST COMPLEX ---- 241 4.2.1.3 MASS TRANSFER IN MICROEMULSION SYSTEMS - 242 VIII - CONTENTS 4.2.1.4 MICELLAR-ENHANCED ULTRAFILTRATION AND ORGANIC SOLVENT NANOFILTRATION - 252 4.2.1.5 SYSTEMATIC DEVELOPMENT AND ANALYSIS OF MICROEMULSIONS FOR PROCESS APPLICATION - 254 4.2.2 APPLICATIONS ----- 263 4.2.3 APPLICATION CASE STUDY: HYDROFORMYLATION OF L-DODECENE 268 4.2.4 CONCLUDING REMARKS ---- 302 4.3 PICKERING EMULSIONS ---- 304 4.3.1 PHASE SYSTEM CHARACTERIZATION - 304 4.3.1.1 PARTICLE TYPES AND CHARACTERIZATION - 304 4.3.1.2 PARTICLES AT THE LIQUID/LIQUID INTERFACE - 309 4.3.1.3 DROP SIZE DISTRIBUTIONS AND STABILITY - 310 4.3.1.4 RHEOLOGY OF PICKERING EMULSIONS - 315 4.3.1.5 MASS TRANSFER IN PICKERING EMULSIONS - 317 4.3.1.6 FILTERABILITY OF PICKERING EMULSIONS - 322 4.3.2 APPLICATIONS ----- 329 4.3.3 APPLICATION CASE STUDY ----- 330 4.3.3.1 INFLUENCE OF THE CATALYST (RH-SX) ON THE PICKERING EMULSION PROPERTIES - 331 4.3.3.2 EMULSIONS STABILIZED BY HNT (O/W) ---- 332 4.3.3.3 REACTION IN AND FILTRATION OF PICKERING EMULSIONS USING TAILORED NANOSPHERES (W/O) ----- 333 4.3.3.4 REACTION IN AND FILTRATION OF PICKERING EMULSIONS USING A COMMERCIAL PARTICLE SYSTEM (W/O) ----- 335 4.3.4 CONCLUDING REMARKS ---- 336 4.4 SUMMARY AND COMPARISON OF PHASE SYSTEMS - 338 REFERENCES - 342 SEBASTIAN ENGELL 5 TOOLS FOR SYSTEMS ENGINEERING - 361 5.1 OVERVIEW ----- 361 5.2 MODELING AND SIMULATION ----- 364 5.2.1 A FRAMEWORK FOR PROCESS MODELING AND SIMULATION - 364 5.2.1.1 REQUIREMENTS FOR COLLABORATIVE MODELING - 365 5.2.1.2 DATA MODEL FOR MODELING AT THE DOCUMENTATION LEVEL AND HIERARCHICAL MODELING - 368 5.2.1.3 COLLABORATIVE MODELING AND WEB TECHNOLOGIES - 376 CONTENTS - IX 5.2.1.4 SPECIFICATION OF SIMULATION AND OPTIMIZATION PROBLEMS 377 5.2.1.5 MODEL-BASED CODE IMPLEMENTATION OF MODELS ----- 378 5.2.1.6 EXAMPLES OF MODELS DEVELOPED AND MANAGED IN MOSAICMODELING 380 5.2.1.7 OUTLOOK ON MODEL DEVELOPMENT AND COLLABORATION 383 5.2.2 FLUID-DYNAMIC INVESTIGATIONS OF MULTIPHASE PROCESSES 383 5.2.2.1 INTRODUCTION ----- 383 5.2.2.2 NUMERICAL FLOW SIMULATIONS OF REACTOR AND SETTLER FOR THE MES PROCESS 384 5.2.23 FLUID-DYNAMIC INVESTIGATION OF GAS-LIQUID- LIQUID CONTINUOUS HELICAL FLOW REACTORS ----- 392 5.2.3 SURROGATE MODELS FOR THERMODYNAMIC EQUILIBRIA OF GAS LIQUID AND LIQUID-LIQUID SYSTEMS 400 5.3 PROCESS OPTIMIZATION ---- 413 5.3.1 OPTIMAL DESIGN OF REACTORS FOR COMPLEX REACTION SYSTEMS - 413 5.3.1.1 REACTOR-NETWORK SYNTHESIS ---- 414 5.3.1.2 ELEMENTARY PROCESS FUNCTIONS METHODOLOGY ----- 415 5.3.1.3 EPF APPLICATION TO THE HYDROFORMYLATION OF LONG-CHAIN OLEFINS 421 5.3.1.4 PROOF OF CONCEPT: OPTIMAL REACTOR-DESIGN HYDROFORMYLATION OF 1-DODECENE 424 5.3.1.5 SUMMARY ----- 433 5.3.2 GLOBAL OPTIMIZATION FOR PROCESS DESIGN - 433 5.3.2 .1 INTRODUCTION ----- 433 53.2.2 DISTILLATION AND HYBRID SEPARATIONS ----- 437 5.3.23 MULTI-STAGE SEPARATION NETWORKS ----- 443 53.2.4 COMBINED REACTION AND CATALYST RECYCLING ----- 445 53.2.5 LIQUID-LIQUID EXTRACTION ----- 446 53.2.6 SUMMARY ----- 449 5.3.3 OPTIMIZATION UNDER UNCERTAINTIES IN PROCESS DEVELOPMENT - 451 5.4 MODEL-BASED PROCESS MONITORING AND OPERATION ---- 461 5.4.1 ONLINE MONITORING AND ONLINE OPTIMIZATION IN THE DEVELOPMENT OF MULTIPHASE PROCESSES - 461 X - CONTENTS 5.4.2 ITERATIVE REAL-TIME OPTIMIZATION APPLIED TO A HYDROFORMYLATION PROCESS ON MINIPLANT SCALE - 463 5.4.2.1 REAL-TIME OPTIMIZATION AND APPROACHES TO HANDLE THE PLANT-MODEL MISMATCH - 463 5.4.2.2 ITERATIVE REAL-TIME OPTIMIZATION BY MODIFIER ADAPTATION - 466 5.4.23 APPLICATION OF REAL-TIME OPTIMIZATION WITH MODIFIER ADAPTATION TO THE HYDROFORMYLATION OF 1-DODECENE IN A TMS-SYSTEM ON MINIPLANT SCALE 472 5.4.2.4 CONCLUSION AND OUTLOOK ----- 480 5.4.3 STATE ESTIMATION FOR REACTIONS AND SEPARATIONS IN A MES SYSTEM IN A MINI PLANT - 481 5.4.4 OPTIMAL OPERATION OF REACTION-SEPARATION PROCESSES IN A MES MINIPLANT - 489 REFERENCES - 497 KAI SUNDMACHER 6 INTEGRATED PROCESS DESIGN - 509 6.1 INTRODUCTION ---- 509 6.2 SELECTION CRITERIA FOR LIQUID MULTIPHASE SYSTEMS - 510 6.2.1 INTRODUCTION ---- 510 6.2.2 GENERAL CRITERIA FOR PHASE SYSTEM SELECTION - 512 6.2.3 FEASIBILITY AND CONSTRAINTS FOR PHASE SYSTEMS APPLICATION AND KEY EXPERIMENTS - 514 6.2.3 .1 THERMOMORPHIC MULTIPHASE SYSTEM - 514 6.23.2 MICROEMULSION SYSTEMS - 516 6.2.33 PICKERING EMULSIONS - 517 6.2.4 SYSTEMATIC PHASE SYSTEM SELECTION AND PROCESS DESIGN - 519 6.3 SOLVENT SELECTION FOR REACTIONS IN LIQUID PHASES - 523 6.3.1 STANDARD GIBBS ENERGIES OF CHEMICAL REACTIONS AND TRANSITION STATE BARRIERS - 524 6.3.2 INTRODUCING A THREE-LEVEL DESCRIPTION OF CHEMICAL REACTIONS IN SOLUTION 524 63.2.1 TAKING QUANTUM CHEMICAL CALCULATIONS FROM THE GAS PHASE TO INFINITELY DILUTED SOLUTION - 526 63.2.2 FROM INFINITE DILUTION TO REAL SOLUTIONS WITH THERMODYNAMIC ACTIVITIES OF REACTING SPECIES 526 CONTENTS - XI 6.3.3 SOLVENT SELECTION FOR CHEMICAL EQUILIBRIA AND REACTION RATES - 528 6.3.3.1 MODELING SOLVENT EFFECTS ON STANDARD GIBBS ENERGIES AND CHEMICAL EQUILIBRIA - 528 6.3.3.2 MODEL-BASED SCREENING TO PREDICT SOLVENT EFFECTS ON REACTION KINETICS - 530 6.3.3.3 BEYOND IMPLICIT SOLVATION: THE MANY ROLES OF SOLVENT MOLECULES 532 6.3.4 CONCLUSIONS ---- 535 6.4 INTEGRATED SOLVENT AND PROCESS DESIGN - 535 6.4.1 INTRODUCTION TO INTEGRATED SOLVENT AND PROCESS DESIGN 536 6.4.2 SURVEY OF INTEGRATED SOLVENT AND PROCESS DESIGN METHODOLOGIES 538 6.4.2.1 APPROACHES USING ALTERNATIVE THERMODYNAMIC MODELS ----- 540 6.4.2.2 MOST RECENT CONTRIBUTIONS ---- 541 6.4.2.3 DIRECT OPTIMIZATION OF THERMODYNAMIC PARAMETERS: CONTINUOUS MOLECULAR TARGETING ----- 541 6.4.2.4 INTEGRATED SOLVENT AND PROCESS DESIGN FOR THE KINETICS OF CHEMICAL REACTIONS - 543 6.4.2.5 GENETIC OPTIMIZATION APPROACH FOR COMPLEX SOLVENT-PROCESS OPTIMIZATION PROBLEMS ----- 545 6.4.3 INTEGRATED SOLVENT AND PROCESS DESIGN FOR THERMOMORPHIC MULTIPHASE SYSTEMS - 546 6.4.4 CONCLUSIONS ---- 551 6.5 INTEGRATED MODEL-BASED PROCESS DESIGN METHODOLOGY - 552 6.5.1 EXPERIMENTAL DESIGN FOR EFFICIENT AND ACCURATE PARAMETER IDENTIFICATION ----- 553 6.5.2 INTEGRATED PROCESS DESIGN - 555 6.5.2.1 METHODOLOGY ----- 556 6.5.2.2 METHODS FOR SENSITIVITY ANALYSIS IN PROCESS SYNTHESIS 557 6.5.2.3 CASE STUDY I: HYDROAMINOMETHYLATION OF 1-DECENE - 559 6.5.2.4 CASE STUDY II: HYDROFORMYLATION OF 1-DODECENE 562 6.5.3 ADVANCED INTEGRATION POTENTIAL FOR SYSTEMATIC MULTIPHASE PROCESS DESIGN ---- 564 XII - CONTENTS 6.5.4 SUMMARY ---- 568 REFERENCES - 568 6.5.3.1 6.5.3.2 MODEL-BASED SOLVENT SELECTION - 565 MODEL-BASED OPTIMAL REACTOR DESIGN - 566 MATTHIAS KRAUME 7 RESUME - 575 INDEX ---- 583
adam_txt	CONTENTS FOREWORD - XIII LIST OF AUTHORS - XV ABBREVIATIONS - XXI LIST OF SYMBOLS - XXVII MATTHIAS KRAUME 1 MOTIVATION AND OBJECTIVES - 1 1.1 GOALS AND SCIENTIFIC CONCEPT - 3 1.2 ADVANCED PHASE SYSTEMS - 5 1.2.1 THERMOMORPHIC MULTIPHASE SYSTEMS - 6 1.2.2 MICROEMULSION SYSTEMS - 7 1.2.3 PICKERING EMULSIONS ---- 7 1.3 MATERIAL BASIS AND REACTIONS - 9 1.4 MODEL PROCESS ----- 11 1.5 CHALLENGES OF THE FUNDAMENTAL INVESTIGATIONS - 12 1.5.1 CHEMICAL-PHYSICAL FUNDAMENTALS - 13 1.5.2 PROCESS TECHNOLOGY - 15 1.5.3 SYSTEMS TECHNOLOGY - 18 1.6 STRUCTURE OF THE BOOK - 20 REFERENCES - 21 MATTHIAS KRAUME 2 STATE OF THE ART OF THE INVESTIGATED PHASE SYSTEMS - 23 2.1 THERMOMORPHIC MULTIPHASE SYSTEMS ---- 24 2.1.1 INTRODUCTION ---- 24 2.1.2 FUNDAMENTALS AND THERMODYNAMICS ---- 25 2.1.3 REACTIONS IN TMS AND REMAINING CHALLENGES ---- 31 2.2 MICROEMULSION SYSTEMS ---- 32 2.2.1 INTRODUCTION ---- 32 2.2.2 FUNDAMENTALS ---- 33 2.2.2.1 PROPERTIES AND PHASE BEHAVIOR OF MICROEMULSION SYSTEMS - 33 2.2.2.2 FEATURES AND DESCRIPTION OF THE THREE-PHASE BODY 35 2.2.2.3 COALESCENCE BEHAVIOR AND SEPARATION DYNAMICS - 36 2.2.3 INDUSTRIAL APPLICATIONS AND REMAINING CHALLENGES - 39 VI - CONTENTS 2.3 PICKERING EMULSIONS - 40 2.3.1 INTRODUCTION -----40 2.3.2 FUNDAMENTALS -----40 2.3.2.1 STABILIZING MECHANISM ---- 40 2.3.2.2 PROPERTIES OF PICKERING EMULSIONS ----- 41 2.3.3 REACTIONS IN PICKERING EMULSIONS ----- 42 2.3.4 REMAINING CHALLENGES ----- 42 2.3.4.1 PICKERING EMULSION CHARACTERIZATION AND PROPERTIES ---- 43 2.3.4.2 MASS TRANSFER AND LOCATION OF CATALYST - 44 2.3.4.3 CONTINUOUS L/L SEPARATION FOR CATALYST RETENTION - 44 2.4 REACTION INDICATORS ---- 45 REFERENCES - 48 SABINE ENDERS 3 THERMODYNAMICS, KINETICS, AND MASS TRANSFER - 55 3.1 THERMODYNAMICS ---- 55 3.1.1 HETEROSEGMENTED PERTURBED-CHAIN STATISTICAL ASSOCIATING FLUID THEORY 56 3.1.2 LATTICE CLUSTER THEORY ----- 57 3.1.3 PHASE EQUILIBRIA ----- 58 3.1.4 INTERFACIAL PROPERTIES - 71 3.1.5 REACTION EQUILIBRIA ----- 84 3.1.6 AGGREGATION FORMATION OF AQUEOUS SURFACTANT SOLUTIONS - 90 3.1.7 SOLUBILIZATION OF WEAK POLAR MOLECULES IN AQUEOUS SURFACTANT SOLUTIONS - 96 3.1.8 CONCLUSION ---- 100 3.2 KINETIC MODELING OF COMPLEX CATALYTIC REACTIONS IN MULTIPHASE SYSTEMS 101 3.2.1 INTRODUCTION ---- 101 3.2.2 METHODOLOGICAL APPROACH ---- 102 3.2.2.1 REACTION NETWORK INVESTIGATION ---- 102 3.2.2.2 DERIVATION OF EXPLICIT RATE EQUATIONS ---- 108 3.2.2.3 REDUCTION OF KINETIC MODELS ----- 117 3.2.3 DEMONSTRATION OF CONCEPT FOR COUPLED NETWORKS - 136 3.2.3.1 ISOMERIZING HYDROFORMYLATION - 137 3.2.3.2 OVERALL REACTION NETWORK OF TANDEM HYDROAMINOMETHYLATION ---- 142 CONTENTS - VII 3.2.4 THERMODYNAMIC OUTLOOK ---- 144 3.2.5 SUMMARY ---- 148 3.3 MASS TRANSFER PROCESSES - 149 3.3.1 INTRODUCTION ---- 149 3.3.2 EXPERIMENTAL CHARACTERIZATION OF MULTIPHASE LIQUID-LIQUID MASS TRANSPORT - 150 3.3.2.1 SINGLE DROP EXPERIMENTS ---- 150 3.3.2.2 MODIFIED NITSCH CELL ----- 153 3.3.2.3 STIRRED TANK REACTOR ---- 155 3.3.3 EXPERIMENTAL CHARACTERIZATION OF MULTIPHASE GAS-LIQUID MASS TRANSPORT - 156 3.3.3.1 DETERMINATION OF K L A FROM PRESSURE DECREASE IN A CLOSED SYSTEM - 156 3.3.3.2 STIRRED TANK REACTOR ---- 159 3.3.3.3 FALLING FILM CONTACTOR --- 160 3.3.4 GAS-LIQUID MASS TRANSFER ---- 162 3.3.5 EFFECT OF MASS TRANSFER ON REACTION SELECTIVITY ----- 170 REFERENCES - 175 ANJA DREWS, REINHARD SCHOMACKER 4 PHASE SYSTEMS CHARACTERIZATION AND PROCESS DEVELOPMENT - 189 4.1 THERMOMORPHIC MULTIPHASE SYSTEMS - 190 4.1.1 PHASE SYSTEM CHARACTERIZATION - 190 4.1.2 MASS TRANSFER IN THERMOMORPHIC MULTIPHASE SYSTEMS ----- 192 4.1.3 APPLICATIONS ---- 197 4.1.4 RECENT DEVELOPMENTS IN TMSS ---- 219 4.1.4.1 COMBINATION OF TMSS WITH OTHER REACTOR TYPES ----- 222 4.1.4.2 IMPROVED ONLINE ANALYTICS ---- 223 4.1.4.3 APPLICATION OF TMSS FOR COMPLEX REACTIONS IN CONTINUOUS OPERATION ----- 224 4.1.4.4 COMBINED REACTION SEPARATION PROCESSES - 229 4.1.5 SUMMARY AND OUTLOOK ---- 234 4.2 MICROEMULSION SYSTEMS ---- 236 4.2.1 PHASE SYSTEM CHARACTERIZATION AND SYSTEMATIC ANALYSIS OF MES FOR THE SELECTED REACTION ----- 239 4.2.1.1 DISPERSION TYPES IN MICELLAR MULTIPHASE SYSTEMS ----- 239 4.2.1.2 LOCALIZATION OF THE CATALYST COMPLEX ---- 241 4.2.1.3 MASS TRANSFER IN MICROEMULSION SYSTEMS - 242 VIII - CONTENTS 4.2.1.4 MICELLAR-ENHANCED ULTRAFILTRATION AND ORGANIC SOLVENT NANOFILTRATION - 252 4.2.1.5 SYSTEMATIC DEVELOPMENT AND ANALYSIS OF MICROEMULSIONS FOR PROCESS APPLICATION - 254 4.2.2 APPLICATIONS ----- 263 4.2.3 APPLICATION CASE STUDY: HYDROFORMYLATION OF L-DODECENE 268 4.2.4 CONCLUDING REMARKS ---- 302 4.3 PICKERING EMULSIONS ---- 304 4.3.1 PHASE SYSTEM CHARACTERIZATION - 304 4.3.1.1 PARTICLE TYPES AND CHARACTERIZATION - 304 4.3.1.2 PARTICLES AT THE LIQUID/LIQUID INTERFACE - 309 4.3.1.3 DROP SIZE DISTRIBUTIONS AND STABILITY - 310 4.3.1.4 RHEOLOGY OF PICKERING EMULSIONS - 315 4.3.1.5 MASS TRANSFER IN PICKERING EMULSIONS - 317 4.3.1.6 FILTERABILITY OF PICKERING EMULSIONS - 322 4.3.2 APPLICATIONS ----- 329 4.3.3 APPLICATION CASE STUDY ----- 330 4.3.3.1 INFLUENCE OF THE CATALYST (RH-SX) ON THE PICKERING EMULSION PROPERTIES - 331 4.3.3.2 EMULSIONS STABILIZED BY HNT (O/W) ---- 332 4.3.3.3 REACTION IN AND FILTRATION OF PICKERING EMULSIONS USING TAILORED NANOSPHERES (W/O) ----- 333 4.3.3.4 REACTION IN AND FILTRATION OF PICKERING EMULSIONS USING A COMMERCIAL PARTICLE SYSTEM (W/O) ----- 335 4.3.4 CONCLUDING REMARKS ---- 336 4.4 SUMMARY AND COMPARISON OF PHASE SYSTEMS - 338 REFERENCES - 342 SEBASTIAN ENGELL 5 TOOLS FOR SYSTEMS ENGINEERING - 361 5.1 OVERVIEW ----- 361 5.2 MODELING AND SIMULATION ----- 364 5.2.1 A FRAMEWORK FOR PROCESS MODELING AND SIMULATION - 364 5.2.1.1 REQUIREMENTS FOR COLLABORATIVE MODELING - 365 5.2.1.2 DATA MODEL FOR MODELING AT THE DOCUMENTATION LEVEL AND HIERARCHICAL MODELING - 368 5.2.1.3 COLLABORATIVE MODELING AND WEB TECHNOLOGIES - 376 CONTENTS - IX 5.2.1.4 SPECIFICATION OF SIMULATION AND OPTIMIZATION PROBLEMS 377 5.2.1.5 MODEL-BASED CODE IMPLEMENTATION OF MODELS ----- 378 5.2.1.6 EXAMPLES OF MODELS DEVELOPED AND MANAGED IN MOSAICMODELING 380 5.2.1.7 OUTLOOK ON MODEL DEVELOPMENT AND COLLABORATION 383 5.2.2 FLUID-DYNAMIC INVESTIGATIONS OF MULTIPHASE PROCESSES 383 5.2.2.1 INTRODUCTION ----- 383 5.2.2.2 NUMERICAL FLOW SIMULATIONS OF REACTOR AND SETTLER FOR THE MES PROCESS 384 5.2.23 FLUID-DYNAMIC INVESTIGATION OF GAS-LIQUID- LIQUID CONTINUOUS HELICAL FLOW REACTORS ----- 392 5.2.3 SURROGATE MODELS FOR THERMODYNAMIC EQUILIBRIA OF GAS LIQUID AND LIQUID-LIQUID SYSTEMS 400 5.3 PROCESS OPTIMIZATION ---- 413 5.3.1 OPTIMAL DESIGN OF REACTORS FOR COMPLEX REACTION SYSTEMS - 413 5.3.1.1 REACTOR-NETWORK SYNTHESIS ---- 414 5.3.1.2 ELEMENTARY PROCESS FUNCTIONS METHODOLOGY ----- 415 5.3.1.3 EPF APPLICATION TO THE HYDROFORMYLATION OF LONG-CHAIN OLEFINS 421 5.3.1.4 PROOF OF CONCEPT: OPTIMAL REACTOR-DESIGN HYDROFORMYLATION OF 1-DODECENE 424 5.3.1.5 SUMMARY ----- 433 5.3.2 GLOBAL OPTIMIZATION FOR PROCESS DESIGN - 433 5.3.2 .1 INTRODUCTION ----- 433 53.2.2 DISTILLATION AND HYBRID SEPARATIONS ----- 437 5.3.23 MULTI-STAGE SEPARATION NETWORKS ----- 443 53.2.4 COMBINED REACTION AND CATALYST RECYCLING ----- 445 53.2.5 LIQUID-LIQUID EXTRACTION ----- 446 53.2.6 SUMMARY ----- 449 5.3.3 OPTIMIZATION UNDER UNCERTAINTIES IN PROCESS DEVELOPMENT - 451 5.4 MODEL-BASED PROCESS MONITORING AND OPERATION ---- 461 5.4.1 ONLINE MONITORING AND ONLINE OPTIMIZATION IN THE DEVELOPMENT OF MULTIPHASE PROCESSES - 461 X - CONTENTS 5.4.2 ITERATIVE REAL-TIME OPTIMIZATION APPLIED TO A HYDROFORMYLATION PROCESS ON MINIPLANT SCALE - 463 5.4.2.1 REAL-TIME OPTIMIZATION AND APPROACHES TO HANDLE THE PLANT-MODEL MISMATCH - 463 5.4.2.2 ITERATIVE REAL-TIME OPTIMIZATION BY MODIFIER ADAPTATION - 466 5.4.23 APPLICATION OF REAL-TIME OPTIMIZATION WITH MODIFIER ADAPTATION TO THE HYDROFORMYLATION OF 1-DODECENE IN A TMS-SYSTEM ON MINIPLANT SCALE 472 5.4.2.4 CONCLUSION AND OUTLOOK ----- 480 5.4.3 STATE ESTIMATION FOR REACTIONS AND SEPARATIONS IN A MES SYSTEM IN A MINI PLANT - 481 5.4.4 OPTIMAL OPERATION OF REACTION-SEPARATION PROCESSES IN A MES MINIPLANT - 489 REFERENCES - 497 KAI SUNDMACHER 6 INTEGRATED PROCESS DESIGN - 509 6.1 INTRODUCTION ---- 509 6.2 SELECTION CRITERIA FOR LIQUID MULTIPHASE SYSTEMS - 510 6.2.1 INTRODUCTION ---- 510 6.2.2 GENERAL CRITERIA FOR PHASE SYSTEM SELECTION - 512 6.2.3 FEASIBILITY AND CONSTRAINTS FOR PHASE SYSTEMS APPLICATION AND KEY EXPERIMENTS - 514 6.2.3 .1 THERMOMORPHIC MULTIPHASE SYSTEM - 514 6.23.2 MICROEMULSION SYSTEMS - 516 6.2.33 PICKERING EMULSIONS - 517 6.2.4 SYSTEMATIC PHASE SYSTEM SELECTION AND PROCESS DESIGN - 519 6.3 SOLVENT SELECTION FOR REACTIONS IN LIQUID PHASES - 523 6.3.1 STANDARD GIBBS ENERGIES OF CHEMICAL REACTIONS AND TRANSITION STATE BARRIERS - 524 6.3.2 INTRODUCING A THREE-LEVEL DESCRIPTION OF CHEMICAL REACTIONS IN SOLUTION 524 63.2.1 TAKING QUANTUM CHEMICAL CALCULATIONS FROM THE GAS PHASE TO INFINITELY DILUTED SOLUTION - 526 63.2.2 FROM INFINITE DILUTION TO REAL SOLUTIONS WITH THERMODYNAMIC ACTIVITIES OF REACTING SPECIES 526 CONTENTS - XI 6.3.3 SOLVENT SELECTION FOR CHEMICAL EQUILIBRIA AND REACTION RATES - 528 6.3.3.1 MODELING SOLVENT EFFECTS ON STANDARD GIBBS ENERGIES AND CHEMICAL EQUILIBRIA - 528 6.3.3.2 MODEL-BASED SCREENING TO PREDICT SOLVENT EFFECTS ON REACTION KINETICS - 530 6.3.3.3 BEYOND IMPLICIT SOLVATION: THE MANY ROLES OF SOLVENT MOLECULES 532 6.3.4 CONCLUSIONS ---- 535 6.4 INTEGRATED SOLVENT AND PROCESS DESIGN - 535 6.4.1 INTRODUCTION TO INTEGRATED SOLVENT AND PROCESS DESIGN 536 6.4.2 SURVEY OF INTEGRATED SOLVENT AND PROCESS DESIGN METHODOLOGIES 538 6.4.2.1 APPROACHES USING ALTERNATIVE THERMODYNAMIC MODELS ----- 540 6.4.2.2 MOST RECENT CONTRIBUTIONS ---- 541 6.4.2.3 DIRECT OPTIMIZATION OF THERMODYNAMIC PARAMETERS: CONTINUOUS MOLECULAR TARGETING ----- 541 6.4.2.4 INTEGRATED SOLVENT AND PROCESS DESIGN FOR THE KINETICS OF CHEMICAL REACTIONS - 543 6.4.2.5 GENETIC OPTIMIZATION APPROACH FOR COMPLEX SOLVENT-PROCESS OPTIMIZATION PROBLEMS ----- 545 6.4.3 INTEGRATED SOLVENT AND PROCESS DESIGN FOR THERMOMORPHIC MULTIPHASE SYSTEMS - 546 6.4.4 CONCLUSIONS ---- 551 6.5 INTEGRATED MODEL-BASED PROCESS DESIGN METHODOLOGY - 552 6.5.1 EXPERIMENTAL DESIGN FOR EFFICIENT AND ACCURATE PARAMETER IDENTIFICATION ----- 553 6.5.2 INTEGRATED PROCESS DESIGN - 555 6.5.2.1 METHODOLOGY ----- 556 6.5.2.2 METHODS FOR SENSITIVITY ANALYSIS IN PROCESS SYNTHESIS 557 6.5.2.3 CASE STUDY I: HYDROAMINOMETHYLATION OF 1-DECENE - 559 6.5.2.4 CASE STUDY II: HYDROFORMYLATION OF 1-DODECENE 562 6.5.3 ADVANCED INTEGRATION POTENTIAL FOR SYSTEMATIC MULTIPHASE PROCESS DESIGN ---- 564 XII - CONTENTS 6.5.4 SUMMARY ---- 568 REFERENCES - 568 6.5.3.1 6.5.3.2 MODEL-BASED SOLVENT SELECTION - 565 MODEL-BASED OPTIMAL REACTOR DESIGN - 566 MATTHIAS KRAUME 7 RESUME - 575 INDEX ---- 583
any_adam_object	1
any_adam_object_boolean	1
author2	Kraume, Matthias Enders, Sabine Drews, Anja Schomäcker, Reinhard 1959- Engell, Sebastian Sundmacher, Kai
author2_role	edt edt edt edt edt edt
author2_variant	m k mk s e se a d ad r s rs s e se k s ks
author_GND	(DE-588)1212971639 (DE-588)1205917934 (DE-588)172063205
author_facet	Kraume, Matthias Enders, Sabine Drews, Anja Schomäcker, Reinhard 1959- Engell, Sebastian Sundmacher, Kai
building	Verbundindex
bvnumber	BV048318875
classification_rvk	VN 7000
ctrlnum	(OCoLC)1339070906 (DE-599)DNB1240327048
discipline	Chemie / Pharmazie
discipline_str_mv	Chemie / Pharmazie
format	Book
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physical	XXXV, 587 Seiten Illustrationen, Diagramme 24 cm x 17 cm
publishDate	2022
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spelling	Integrated chemical processes in liquid multiphase systems from chemical reaction to process design and operation Berlin De Gruyter [2022] © 2022 XXXV, 587 Seiten Illustrationen, Diagramme 24 cm x 17 cm txt rdacontent n rdamedia nc rdacarrier Verfahrenstechnik (DE-588)4062781-0 gnd rswk-swf Chemische Verfahrenstechnik (DE-588)4069941-9 gnd rswk-swf Mehrphasensystem (DE-588)4125888-5 gnd rswk-swf Technische Chemie (DE-588)4078178-1 gnd rswk-swf Flüssigkeit (DE-588)4017621-6 gnd rswk-swf Chemie-Ingenieurwesen (DE-588)4349723-8 gnd rswk-swf Prozessentwicklung Technik (DE-588)4278925-4 gnd rswk-swf Chemische Reaktion (DE-588)4009853-9 gnd rswk-swf Prozessoptimierung (DE-588)4176074-8 gnd rswk-swf Verfahrenstechnik (DE-588)4062781-0 s Chemie-Ingenieurwesen (DE-588)4349723-8 s Technische Chemie (DE-588)4078178-1 s DE-604 Flüssigkeit (DE-588)4017621-6 s Mehrphasensystem (DE-588)4125888-5 s Chemische Reaktion (DE-588)4009853-9 s Chemische Verfahrenstechnik (DE-588)4069941-9 s Prozessentwicklung Technik (DE-588)4278925-4 s Prozessoptimierung (DE-588)4176074-8 s Kraume, Matthias (DE-588)1212971639 edt Enders, Sabine edt Drews, Anja edt Schomäcker, Reinhard 1959- (DE-588)1205917934 edt Engell, Sebastian (DE-588)172063205 edt Sundmacher, Kai edt Walter de Gruyter GmbH & Co. KG (DE-588)10095502-2 pbl Erscheint auch als Online-Ausgabe 978-3-11-070985-8 Erscheint auch als Online-Ausgabe 978-3-11-070991-9 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=033698275&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis 1\p vlb 20210901 DE-101 https://d-nb.info/provenance/plan#vlb
spellingShingle	Integrated chemical processes in liquid multiphase systems from chemical reaction to process design and operation Verfahrenstechnik (DE-588)4062781-0 gnd Chemische Verfahrenstechnik (DE-588)4069941-9 gnd Mehrphasensystem (DE-588)4125888-5 gnd Technische Chemie (DE-588)4078178-1 gnd Flüssigkeit (DE-588)4017621-6 gnd Chemie-Ingenieurwesen (DE-588)4349723-8 gnd Prozessentwicklung Technik (DE-588)4278925-4 gnd Chemische Reaktion (DE-588)4009853-9 gnd Prozessoptimierung (DE-588)4176074-8 gnd
subject_GND	(DE-588)4062781-0 (DE-588)4069941-9 (DE-588)4125888-5 (DE-588)4078178-1 (DE-588)4017621-6 (DE-588)4349723-8 (DE-588)4278925-4 (DE-588)4009853-9 (DE-588)4176074-8
title	Integrated chemical processes in liquid multiphase systems from chemical reaction to process design and operation
title_auth	Integrated chemical processes in liquid multiphase systems from chemical reaction to process design and operation
title_exact_search	Integrated chemical processes in liquid multiphase systems from chemical reaction to process design and operation
title_exact_search_txtP	Integrated chemical processes in liquid multiphase systems from chemical reaction to process design and operation
title_full	Integrated chemical processes in liquid multiphase systems from chemical reaction to process design and operation
title_fullStr	Integrated chemical processes in liquid multiphase systems from chemical reaction to process design and operation
title_full_unstemmed	Integrated chemical processes in liquid multiphase systems from chemical reaction to process design and operation
title_short	Integrated chemical processes in liquid multiphase systems
title_sort	integrated chemical processes in liquid multiphase systems from chemical reaction to process design and operation
title_sub	from chemical reaction to process design and operation
topic	Verfahrenstechnik (DE-588)4062781-0 gnd Chemische Verfahrenstechnik (DE-588)4069941-9 gnd Mehrphasensystem (DE-588)4125888-5 gnd Technische Chemie (DE-588)4078178-1 gnd Flüssigkeit (DE-588)4017621-6 gnd Chemie-Ingenieurwesen (DE-588)4349723-8 gnd Prozessentwicklung Technik (DE-588)4278925-4 gnd Chemische Reaktion (DE-588)4009853-9 gnd Prozessoptimierung (DE-588)4176074-8 gnd
topic_facet	Verfahrenstechnik Chemische Verfahrenstechnik Mehrphasensystem Technische Chemie Flüssigkeit Chemie-Ingenieurwesen Prozessentwicklung Technik Chemische Reaktion Prozessoptimierung
url	http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=033698275&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
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