Model based spectroscopic analysis of diffusion in liquid multicomponent mixtures:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Abschlussarbeit Buch |
| Sprache: | English |
| Veröffentlicht: |
Düsseldorf
VDI-Verl.
2009
|
| Ausgabe: | Als Ms. gedr. |
| Schriftenreihe: | Fortschritt-Berichte VDI
Reihe 3, Verfahrenstechnik ; 904 |
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XVIII, 208 S. Ill., graph. Darst. 21 cm |
| ISBN: | 9783183904037 |
Internformat
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Datensatz im Suchindex
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| adam_text | Titel: Model based spectroscopic analysis of diffusion in liquid multicomponent mixtures
Autor: Kriesten, Ernesto
Jahr: 2009
Contents
Notation VIII
Kurzfassung XV
1 Introduction 1
2 General work process and overview of the research activities 5
2.1 Work process for experimental analysis of kinetic phenomena 5
2.2 Research activities: Status before thesis and new work 9
2.2.1 Analysis of constant multicomponent diffusivities 9
2.2.2 Analysis of concentration-dependent diffusivities 12
2.2.3 Discrimination of predictive modeis 13
2.2.4 Model-based design of an integrated electrolyte experiment . . 14
3 Analysis of multicomponent diffusion in liquid Systems 16
3.1 Fundamentals 16
3.1.1 Modeling of multicomponent diffusion 16
3.1.2 Established diffusion measurement techniques 20
3.1.3 Central elements of the new analysis framework 23
3.2 Optimization of the model-based lD-Raman experiment 27
3.2.1 Model-based optimization of the boundary sharpening technique 28
3.2.2 Optimization of the analysis methods 31
3.2.3 Conclusions 35
3.3 Concentration-dependent diffusivities from lD-Raman and NMR data 36
3.3.1 General estimation procedure 38
3.3.2 Experimental techniques and settings 40
3.3.3 Incremental model identification framework 41
3.3.4 Results 43
V
Contents
3.3.5 Conclusions 53
3.4 Model discrimination in multicomponent Systems using NMR data . . 55
3.4.1 Current challenges and general idea of the new framework . . 55
3.4.2 Predictive modeis for multicomponent diffusion 57
3.4.3 Diffusion measurements using NMR 60
3.4.4 Model-based experimental analysis 64
3.4.5 Results and discussion 69
3.4.6 Conclusions 72
4 Analysis of diffusion in electrolyte Systems 73
4.1 Fundamentals 74
4.1.1 Modeling of electrolyte diffusion 75
4.1.2 Measurement of electrolyte transport properties 78
4.2 Model-based design of an integrated electrolyte diffusion experiment . 81
4.2.1 Model of the general concept 81
4.2.2 Simulation analysis 84
4.2.3 Identifiability test and quantitative experimental design .... 91
4.3 Conclusions 99
5 Methods for the analysis of spectroscopic data 101
5.1 Fundamentals 103
5.1.1 Methods for quantitative spectral analysis 103
5.1.2 Self-modeling curve resolution methods 107
5.2 Automation and objectification of IHM 108
5.2.1 The spectral model fitting strategy of IHM 109
5.2.2 Peak identification algorithms 111
5.2.3 Validation with Raman and IR data sets 121
5.2.4 Conclusions 126
5.3 Pure component identification methods 127
5.3.1 Complemental hard modeling (CHM) 128
5.3.2 Hard modeling factor analysis (HMFA) 132
5.3.3 Validation with IR and Raman data 136
5.3.4 Systematic HMFA test using artificial data 144
5.3.5 Conclusions 158
5.3.6 Future work 159
6 Concluding remarks 161
VI
Contents
6.1 Summary 161
6.2 Future work 164
Appendix 168
A Methods for Hard Modeling Factor Analysis 169
A.l Generation of an input spectrum for the hard modeling step 169
A.2 Determination of distinctive peaks 170
A.3 Calculation of the fractions of shared peaks 171
B Data for systematic HMFA test 173
B.l Pure component peak parameters 173
B.2 Concentration profiles 173
C Models for integrated electrolyte cell 177
C.l Model for moderately concentrated Single salts in neutral solvents . . 177
C.l.l Complete diffusion model 177
C.l.2 Derivation of model equations 179
C.2 Model for concentrated Single salts in neutral solvents 186
C.2.1 Complete diffusion model 186
C.2.2 Derivation of model equations 188
Bibliography 196
VII
|
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| author | Kriesten, Ernesto 1975- |
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| author_facet | Kriesten, Ernesto 1975- |
| author_role | aut |
| author_sort | Kriesten, Ernesto 1975- |
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| dewey-full | 660.2940154357 |
| dewey-hundreds | 600 - Technology (Applied sciences) |
| dewey-ones | 660 - Chemical engineering |
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| dewey-tens | 660 - Chemical engineering |
| discipline | Chemie / Pharmazie |
| edition | Als Ms. gedr. |
| format | Thesis Book |
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| illustrated | Illustrated |
| indexdate | 2024-07-09T21:41:25Z |
| institution | BVB |
| isbn | 9783183904037 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-017658241 |
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| physical | XVIII, 208 S. Ill., graph. Darst. 21 cm |
| publishDate | 2009 |
| publishDateSearch | 2009 |
| publishDateSort | 2009 |
| publisher | VDI-Verl. |
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| series | Fortschritt-Berichte VDI |
| series2 | Fortschritt-Berichte VDI : Reihe 3, Verfahrenstechnik Berichte aus dem Lehrstuhl für Prozesstechnik |
| spelling | Kriesten, Ernesto 1975- Verfasser (DE-588)138548617 aut Model based spectroscopic analysis of diffusion in liquid multicomponent mixtures Ernesto Kriesten Model-based spectroscopic analysis of diffusion in liquid multicomponent mixtures model-based Als Ms. gedr. Düsseldorf VDI-Verl. 2009 XVIII, 208 S. Ill., graph. Darst. 21 cm txt rdacontent n rdamedia nc rdacarrier Fortschritt-Berichte VDI : Reihe 3, Verfahrenstechnik 904 Berichte aus dem Lehrstuhl für Prozesstechnik Zugl.: Aachen, Techn. Hochsch., Diss., 2009 Flüssigkeit - Mehrstoffsystem - Diffusionskoeffizient - Raman-Spektroskopie - Messwert - Auswertung Raman-Spektroskopie (DE-588)4176916-8 gnd rswk-swf Mehrstoffsystem (DE-588)4132152-2 gnd rswk-swf Diffusionskoeffizient (DE-588)4149817-3 gnd rswk-swf Auswertung (DE-588)4126901-9 gnd rswk-swf Messwert (DE-588)4169543-4 gnd rswk-swf Flüssigkeit (DE-588)4017621-6 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Flüssigkeit (DE-588)4017621-6 s Mehrstoffsystem (DE-588)4132152-2 s Diffusionskoeffizient (DE-588)4149817-3 s Raman-Spektroskopie (DE-588)4176916-8 s Messwert (DE-588)4169543-4 s Auswertung (DE-588)4126901-9 s DE-604 Fortschritt-Berichte VDI Reihe 3, Verfahrenstechnik ; 904 (DE-604)BV001897067 904 HBZ Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=017658241&sequence=000004&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Kriesten, Ernesto 1975- Model based spectroscopic analysis of diffusion in liquid multicomponent mixtures Fortschritt-Berichte VDI Flüssigkeit - Mehrstoffsystem - Diffusionskoeffizient - Raman-Spektroskopie - Messwert - Auswertung Raman-Spektroskopie (DE-588)4176916-8 gnd Mehrstoffsystem (DE-588)4132152-2 gnd Diffusionskoeffizient (DE-588)4149817-3 gnd Auswertung (DE-588)4126901-9 gnd Messwert (DE-588)4169543-4 gnd Flüssigkeit (DE-588)4017621-6 gnd |
| subject_GND | (DE-588)4176916-8 (DE-588)4132152-2 (DE-588)4149817-3 (DE-588)4126901-9 (DE-588)4169543-4 (DE-588)4017621-6 (DE-588)4113937-9 |
| title | Model based spectroscopic analysis of diffusion in liquid multicomponent mixtures |
| title_alt | Model-based spectroscopic analysis of diffusion in liquid multicomponent mixtures model-based |
| title_auth | Model based spectroscopic analysis of diffusion in liquid multicomponent mixtures |
| title_exact_search | Model based spectroscopic analysis of diffusion in liquid multicomponent mixtures |
| title_full | Model based spectroscopic analysis of diffusion in liquid multicomponent mixtures Ernesto Kriesten |
| title_fullStr | Model based spectroscopic analysis of diffusion in liquid multicomponent mixtures Ernesto Kriesten |
| title_full_unstemmed | Model based spectroscopic analysis of diffusion in liquid multicomponent mixtures Ernesto Kriesten |
| title_short | Model based spectroscopic analysis of diffusion in liquid multicomponent mixtures |
| title_sort | model based spectroscopic analysis of diffusion in liquid multicomponent mixtures |
| topic | Flüssigkeit - Mehrstoffsystem - Diffusionskoeffizient - Raman-Spektroskopie - Messwert - Auswertung Raman-Spektroskopie (DE-588)4176916-8 gnd Mehrstoffsystem (DE-588)4132152-2 gnd Diffusionskoeffizient (DE-588)4149817-3 gnd Auswertung (DE-588)4126901-9 gnd Messwert (DE-588)4169543-4 gnd Flüssigkeit (DE-588)4017621-6 gnd |
| topic_facet | Flüssigkeit - Mehrstoffsystem - Diffusionskoeffizient - Raman-Spektroskopie - Messwert - Auswertung Raman-Spektroskopie Mehrstoffsystem Diffusionskoeffizient Auswertung Messwert Flüssigkeit Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=017658241&sequence=000004&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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