A framework for tool integration in chemical process modeling:
Saved in:
| Main Author: | |
|---|---|
| Format: | Thesis Book |
| Language: | English |
| Published: |
Düsseldorf
VDI-Verl.
2006
|
| Edition: | Als Ms. gedr. |
| Series: | Fortschritt-Berichte VDI
Reihe 3, Verfahrenstechnik; 868 |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | X, 167 S. Ill., graph. Darst. |
| ISBN: | 3183868032 |
Staff View
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| 245 | 1 | 0 | |a A framework for tool integration in chemical process modeling |c Georg Schopfer |
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| adam_text | Contents
Kurzfassung IX
1 Introduction 1
1.1 Coniputer aided process modeling 1
1.2 Aim of the thesis 3
1.3 Structure of the thesis 4
1.4 Associated CHEOPS contributions 5
2 Process Systems modeling 7
2.1 Model based applications 7
2.1.1 Steady state and dynamic Simulation 8
2.1.2 Model formulations 8
2.1.2.1 The equation oriented approach 9
2.1.2.2 The sequential modular approach 10
2.1.2.3 Mixed mode approaches 11
2.1.3 Steady state paranieter estimation 11
2.1.3.1 General formulation of the optimization problem . 11
2.1.3.2 Strategies for the numerical solution of the optimiza¬
tion problem 13
2.2 Tool integration for process Systems modeling 16
2.2.1 Process modeling tools 16
2.2.1.1 gPROMS 17
2.2.1.2 Aspen Engineering Suite 18
2.2.1.3 CAPE OPEN: A Standard for tool integration ... 19
2.2.1.4 Discussion 21
2.2.2 Tool integration approaches in other application domains . . 22
2.2.2.1 Hardware / Software co simulation 23
2.2.2.2 Multi physics modeling 24
2.2.2.3 Other application domains 28
2.3 Empirical modeling tools 29
2.3.1 Neural networks 29
2.3.2 HybridTool 31
2.4 Summary 31
3 The CHEOPS architecture 33
3.1 Conceptual architecture 35
3.2 Object model 37
3.2.1 Neutral model representation 37
3.2.1.1 Model structure representation 37
3.2.1.2 Mathematical representation 39
3.2.1.3 Generalized variable 40
3.2.1.4 Implementation of the neutral model representation 41
3.2.1.5 Discussion 42
3.2.2 Tool wrappers 42
3.2.3 Formulation bridges 45
3.2.4 Model based application modules 48
3.3 Execution model 50
3.3.1 Experiment specification phase 51
3.3.2 Instantiation and initialization phase 52
3.3.3 Solution phase 55
3.4 Component architecture 57
3.4.1 Development time component architecture 58
3.4.2 Run time component architecture 60
3.5 Discussion 65
4 Simulation in CHEOPS 69
4.1 Model based application modules for Simulation 69
4.1.1 Sequential modular Simulation 71
4.1.1.1 Steady state Simulation 72
4.1.1.2 Dynamic Simulation 76
4.1.2 Equation oriented Simulation 80
4.1.2.1 The LptNumerics library 80
4.1.2.2 The equation oriented Simulation modules 83
4.2 Steady state Simulation of the ethylene glycol production process . . 86
4.2.1 The process 86
4.2.2 Heterogeneous process model 88
4.2.3 Tool wrapper development 89
4.2.4 Experiment specification 90
4.2.5 Simulation experiinent 96
4.3 Dynamic Simulation of a pentaerythritol crystallization process ... 98
4.3.1 The process 98
4.3.2 Heterogeneous process model 99
4.3.3 Tool wrapper development 101
4.3.4 Experiment specification 102
4.3.5 Simulation experiment 103
4.4 Summary 105
5 Semi empirical process modeling in CHEOPS 107
5.1 Background on semi empirical modeling 107
5.2 Semi empirical modeling of chemical processes 111
5.2.1 Motivation and problem description 111
5.2.2 Solution approaches 113
5.2.2.1 Structuring of the optimization problem into smaller
subproblems 113
5.2.2.2 Initialization of semi empirical model identification 116
5.3 Model based application modules for semi empirical modeling ... 117
5.3.1 Overview 117
5.3.2 Object oriented design for parameter esthuation 120
5.3.2.1 Analysis 120
5.3.2.2 Object oriented design 124
5.4 Semi empirical steady state modeling of the ethylene glycol process 129
5.4.1 Heterogeneous semi empirical process model 130
5.4.2 Tool wrapper development 133
5.4.3 Simulation experiment 135
5.4.3.1 Collection of measurement data 135
5.4.3.2 Parameter estimation 135
5.4.3.3 Discussion of the results 137
5.5 Summary 141
6 Conclusions 143
6.1 Main contributions 143
6.2 Future work 146
7 Appendix: Ethylene glycol process model 150
Bibliography 155
|
| adam_txt |
Contents
Kurzfassung IX
1 Introduction 1
1.1 Coniputer aided process modeling 1
1.2 Aim of the thesis 3
1.3 Structure of the thesis 4
1.4 Associated CHEOPS contributions 5
2 Process Systems modeling 7
2.1 Model based applications 7
2.1.1 Steady state and dynamic Simulation 8
2.1.2 Model formulations 8
2.1.2.1 The equation oriented approach 9
2.1.2.2 The sequential modular approach 10
2.1.2.3 Mixed mode approaches 11
2.1.3 Steady state paranieter estimation 11
2.1.3.1 General formulation of the optimization problem . 11
2.1.3.2 Strategies for the numerical solution of the optimiza¬
tion problem 13
2.2 Tool integration for process Systems modeling 16
2.2.1 Process modeling tools 16
2.2.1.1 gPROMS 17
2.2.1.2 Aspen Engineering Suite 18
2.2.1.3 CAPE OPEN: A Standard for tool integration . 19
2.2.1.4 Discussion 21
2.2.2 Tool integration approaches in other application domains . . 22
2.2.2.1 Hardware / Software co simulation 23
2.2.2.2 Multi physics modeling 24
2.2.2.3 Other application domains 28
2.3 Empirical modeling tools 29
2.3.1 Neural networks 29
2.3.2 HybridTool 31
2.4 Summary 31
3 The CHEOPS architecture 33
3.1 Conceptual architecture 35
3.2 Object model 37
3.2.1 Neutral model representation 37
3.2.1.1 Model structure representation 37
3.2.1.2 Mathematical representation 39
3.2.1.3 Generalized variable 40
3.2.1.4 Implementation of the neutral model representation 41
3.2.1.5 Discussion 42
3.2.2 Tool wrappers 42
3.2.3 Formulation bridges 45
3.2.4 Model based application modules 48
3.3 Execution model 50
3.3.1 Experiment specification phase 51
3.3.2 Instantiation and initialization phase 52
3.3.3 Solution phase 55
3.4 Component architecture 57
3.4.1 Development time component architecture 58
3.4.2 Run time component architecture 60
3.5 Discussion 65
4 Simulation in CHEOPS 69
4.1 Model based application modules for Simulation 69
4.1.1 Sequential modular Simulation 71
4.1.1.1 Steady state Simulation 72
4.1.1.2 Dynamic Simulation 76
4.1.2 Equation oriented Simulation 80
4.1.2.1 The LptNumerics library 80
4.1.2.2 The equation oriented Simulation modules 83
4.2 Steady state Simulation of the ethylene glycol production process . . 86
4.2.1 The process 86
4.2.2 Heterogeneous process model 88
4.2.3 Tool wrapper development 89
4.2.4 Experiment specification 90
4.2.5 Simulation experiinent 96
4.3 Dynamic Simulation of a pentaerythritol crystallization process . 98
4.3.1 The process 98
4.3.2 Heterogeneous process model 99
4.3.3 Tool wrapper development 101
4.3.4 Experiment specification 102
4.3.5 Simulation experiment 103
4.4 Summary 105
5 Semi empirical process modeling in CHEOPS 107
5.1 Background on semi empirical modeling 107
5.2 Semi empirical modeling of chemical processes 111
5.2.1 Motivation and problem description 111
5.2.2 Solution approaches 113
5.2.2.1 Structuring of the optimization problem into smaller
subproblems 113
5.2.2.2 Initialization of semi empirical model identification 116
5.3 Model based application modules for semi empirical modeling . 117
5.3.1 Overview 117
5.3.2 Object oriented design for parameter esthuation 120
5.3.2.1 Analysis 120
5.3.2.2 Object oriented design 124
5.4 Semi empirical steady state modeling of the ethylene glycol process 129
5.4.1 Heterogeneous semi empirical process model 130
5.4.2 Tool wrapper development 133
5.4.3 Simulation experiment 135
5.4.3.1 Collection of measurement data 135
5.4.3.2 Parameter estimation 135
5.4.3.3 Discussion of the results 137
5.5 Summary 141
6 Conclusions 143
6.1 Main contributions 143
6.2 Future work 146
7 Appendix: Ethylene glycol process model 150
Bibliography 155 |
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| index_date | 2024-07-02T16:25:11Z |
| indexdate | 2025-02-20T06:41:30Z |
| institution | BVB |
| isbn | 3183868032 |
| language | English |
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| physical | X, 167 S. Ill., graph. Darst. |
| publishDate | 2006 |
| publishDateSearch | 2006 |
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| publisher | VDI-Verl. |
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| series | Fortschritt-Berichte VDI |
| series2 | Fortschritt-Berichte VDI : Reihe 3, Verfahrenstechnik; 868 Berichte aus dem Lehrstuhl für Prozesstechnik RWTH Aachen |
| spellingShingle | Schopfer, Georg A framework for tool integration in chemical process modeling Fortschritt-Berichte VDI Mathematisches Modell Chemical processes Computer-aided design Chemical processes Mathematical models Chemische Verfahrenstechnik (DE-588)4069941-9 gnd Prozessmodell (DE-588)4237203-3 gnd |
| subject_GND | (DE-588)4069941-9 (DE-588)4237203-3 (DE-588)4113937-9 |
| title | A framework for tool integration in chemical process modeling |
| title_auth | A framework for tool integration in chemical process modeling |
| title_exact_search | A framework for tool integration in chemical process modeling |
| title_exact_search_txtP | A framework for tool integration in chemical process modeling |
| title_full | A framework for tool integration in chemical process modeling Georg Schopfer |
| title_fullStr | A framework for tool integration in chemical process modeling Georg Schopfer |
| title_full_unstemmed | A framework for tool integration in chemical process modeling Georg Schopfer |
| title_short | A framework for tool integration in chemical process modeling |
| title_sort | a framework for tool integration in chemical process modeling |
| topic | Mathematisches Modell Chemical processes Computer-aided design Chemical processes Mathematical models Chemische Verfahrenstechnik (DE-588)4069941-9 gnd Prozessmodell (DE-588)4237203-3 gnd |
| topic_facet | Mathematisches Modell Chemical processes Computer-aided design Chemical processes Mathematical models Chemische Verfahrenstechnik Prozessmodell Hochschulschrift |
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THWS Schweinfurt Magazin
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2900 07117 |
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| Copy 1 | bestellbar aus dem Magazin Available Place a Hold |