Thermodynamic properties for the heterogeneously catalyzed selective oxidation of cyclohexane in carbon diocide expanded media by experiment and molecular simulation:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Abschlussarbeit Buch |
| Sprache: | English |
| Veröffentlicht: |
Kaiserslautern
Tech. Univ., Laboratory of Engineering Thermodynamics
2013
|
| Schriftenreihe: | Scientific report series / Technische Universität Kaiserslautern, Laboratory of Engineering Thermodynamics
8 |
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XXVI, 153 S. graph. Darst. |
| ISBN: | 9783944433073 |
Internformat
MARC
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| 245 | 1 | 0 | |a Thermodynamic properties for the heterogeneously catalyzed selective oxidation of cyclohexane in carbon diocide expanded media by experiment and molecular simulation |c von Thorsten Merker |
| 264 | 1 | |a Kaiserslautern |b Tech. Univ., Laboratory of Engineering Thermodynamics |c 2013 | |
| 300 | |a XXVI, 153 S. |b graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
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| 490 | 1 | |a Scientific report series / Technische Universität Kaiserslautern, Laboratory of Engineering Thermodynamics |v 8 | |
| 502 | |a Zugl.: Kaiserslautern, Techn. Univ., Diss., 2013 | ||
| 650 | 0 | 7 | |a Cyclohexan |0 (DE-588)4148544-0 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Selektive Oxidation |0 (DE-588)4444728-0 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Heterogene Katalyse |0 (DE-588)4123377-3 |2 gnd |9 rswk-swf |
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| 689 | 0 | 1 | |a Cyclohexan |0 (DE-588)4148544-0 |D s |
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Datensatz im Suchindex
| _version_ | 1804151454698569728 |
|---|---|
| adam_text | IMAGE 1
CONTENTS
XVII
CONTENTS
1 INTRODUCTION 1
2 EXPERIMENTS 5
2.1 APPARATUS AND METHOD 5
2.2 TEMPERATURE AND PRESSURE MEASUREMENT 6
2.3 SUBSTANCES AND SAMPLE PRETREATMENT 6
2.4 EXPERIMENTAL PROCEDURE 7
2.5 DETERMINATION OF THE HENRY S LAW CONSTANT 8
3 EXPERIMENTAL RESULTS 11
3.1 OXYGEN OR CARBON DIOXIDE IN CYCLOHEXANOL II
3.1.1 GAS SOLUBILITY 11
3.1.2 HENRY S LAW CONSTANT 13
3.2 CARBON DIOXIDE IN MIXTURES OF CYCLOHEXANE + CYCLOHEXANONE 16
3.2.1 GAS SOLUBILITY 16
3.2.2 HENRY S LAW CONSTANT 16
3.3 O2 AND CO2 IN MIXTURES OF CYCLOHEXANE + CYCLOHEXANONE + CYCLOHEXANOL
. 24
3.3.1 GAS SOLUBILITY 24
3.3.2 HENRY S LAW CONSTANT 24
4 MOLECULAR THERMODYNAMICS 29
4.1 PURE FLUID MODELS 29
4.2 MIXTURE MODELS 31
4.3 CHEMICAL POTENTIAL 32
4.3.1 WIDOM S TEST MOLECULE METHOD 32
4.3.2 GRADUAL INSERTION 32
4.4 VAPOR-LIQUID EQUILIBRIA 34
4.5 HENRY S LAW CONSTANT 34
4.6 SECOND VIRIAL COEFFICIENT 35
4.7 TRANSPORT PROPERTIES 35
5 MOLECULAR MODELS 37
5.1 MOLECULAR PROPERTIES FROM QUANTUM MECHANICS 37
HTTP://D-NB.INFO/1042792186
IMAGE 2
XVIII
CONTENTS
5.2 REDUCED UNIT METHOD FOR OPTIMIZING MOLECULAR MODELS 38
5.3 CARBON DIOXIDE 45
5.3.1 MOLECULAR MODEL 46
5.3.2 VAPOR-LIQUID EQUILIBRIUM 46
5.3.3 HOMOGENEOUS REGION 49
5.3.4 SECOND VIRIAL COEFFICIENT 52
5.3.5 STRUCTURAL PROPERTIES 53
5.3.6 TRANSPORT PROPERTIES 55
5.3.7 CARBON DIOXIDE MODEL WITH INTERNAL DEGREES OF FREEDOM 57
5.4 CYCLOHEXANE 60
5.4.1 MOLECULAR MODEL 60
5.4.2 VAPOR-LIQUID EQUILIBRIUM 61
5.4.3 HOMOGENEOUS REGION 61
5.4.4 SECOND VIRIAL COEFFICIENT 67
5.5 CYCLOHEXANONE 68
5.5.1 MOLECULAR MODEL 68
5.5.2 VAPOR-LIQUID EQUILIBRIUM 70
5.5.3 SECOND VIRIAL COEFFICIENT 74
5.6 CYCLOHEXANOL 75
5.6.1 MOLECULAR MODEL 75
5.6.2 VAPOR-LIQUID EQUILIBRIUM 77
5.6.3 SECOND VIRIAL COEFFICIENT 80
5.6.4 TRANSPORT PROPERTIES 81
5.7 MIXTURES 84
6 EXCESS GLBBS ENERGY MODEL AND EQUATION OF STATE 87
6.1 INTRODUCTION 87
6.2 COSMO-SAC 88
6.3 PENG-ROBINSON EQUATION OF STATE 93
7 SIMULATION RESULTS FOR MIXTURES 95
7.1 RESULTS AND DISCUSSION 95
7.1.1 BINARY SUBSYSTEMS 95
7.1.2 TERNARY SUBSYSTEMS 108
7.1.3 QUATERNARY AND PENTENARY SYSTEMS 110
8 SUMMARY 115
BIBLIOGRAPHY 119
IMAGE 3
CONTENTS
XIX
APPENDIX 133
A SIMULATION DETAILS 133
B NUMERICAL SIMULATION RESULTS 135
C ESTIMATION OF EXPERIMENTAL ERROR 149
|
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| dewey-full | 660.28443 |
| dewey-hundreds | 600 - Technology (Applied sciences) |
| dewey-ones | 660 - Chemical engineering |
| dewey-raw | 660.28443 |
| dewey-search | 660.28443 |
| dewey-sort | 3660.28443 |
| dewey-tens | 660 - Chemical engineering |
| discipline | Chemie / Pharmazie |
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| genre_facet | Hochschulschrift |
| id | DE-604.BV041366913 |
| illustrated | Illustrated |
| indexdate | 2024-07-10T00:55:05Z |
| institution | BVB |
| isbn | 9783944433073 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-026815137 |
| oclc_num | 862829960 |
| open_access_boolean | |
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| owner_facet | DE-12 DE-634 DE-706 DE-83 DE-29T |
| physical | XXVI, 153 S. graph. Darst. |
| publishDate | 2013 |
| publishDateSearch | 2013 |
| publishDateSort | 2013 |
| publisher | Tech. Univ., Laboratory of Engineering Thermodynamics |
| record_format | marc |
| series2 | Scientific report series / Technische Universität Kaiserslautern, Laboratory of Engineering Thermodynamics |
| spelling | Merker, Thorsten 1979- Verfasser (DE-588)1043020608 aut Thermodynamic properties for the heterogeneously catalyzed selective oxidation of cyclohexane in carbon diocide expanded media by experiment and molecular simulation von Thorsten Merker Kaiserslautern Tech. Univ., Laboratory of Engineering Thermodynamics 2013 XXVI, 153 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Scientific report series / Technische Universität Kaiserslautern, Laboratory of Engineering Thermodynamics 8 Zugl.: Kaiserslautern, Techn. Univ., Diss., 2013 Cyclohexan (DE-588)4148544-0 gnd rswk-swf Selektive Oxidation (DE-588)4444728-0 gnd rswk-swf Heterogene Katalyse (DE-588)4123377-3 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Heterogene Katalyse (DE-588)4123377-3 s Cyclohexan (DE-588)4148544-0 s Selektive Oxidation (DE-588)4444728-0 s DE-604 Technische Universität Kaiserslautern, Laboratory of Engineering Thermodynamics Scientific report series 8 (DE-604)BV040983565 8 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026815137&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Merker, Thorsten 1979- Thermodynamic properties for the heterogeneously catalyzed selective oxidation of cyclohexane in carbon diocide expanded media by experiment and molecular simulation Cyclohexan (DE-588)4148544-0 gnd Selektive Oxidation (DE-588)4444728-0 gnd Heterogene Katalyse (DE-588)4123377-3 gnd |
| subject_GND | (DE-588)4148544-0 (DE-588)4444728-0 (DE-588)4123377-3 (DE-588)4113937-9 |
| title | Thermodynamic properties for the heterogeneously catalyzed selective oxidation of cyclohexane in carbon diocide expanded media by experiment and molecular simulation |
| title_auth | Thermodynamic properties for the heterogeneously catalyzed selective oxidation of cyclohexane in carbon diocide expanded media by experiment and molecular simulation |
| title_exact_search | Thermodynamic properties for the heterogeneously catalyzed selective oxidation of cyclohexane in carbon diocide expanded media by experiment and molecular simulation |
| title_full | Thermodynamic properties for the heterogeneously catalyzed selective oxidation of cyclohexane in carbon diocide expanded media by experiment and molecular simulation von Thorsten Merker |
| title_fullStr | Thermodynamic properties for the heterogeneously catalyzed selective oxidation of cyclohexane in carbon diocide expanded media by experiment and molecular simulation von Thorsten Merker |
| title_full_unstemmed | Thermodynamic properties for the heterogeneously catalyzed selective oxidation of cyclohexane in carbon diocide expanded media by experiment and molecular simulation von Thorsten Merker |
| title_short | Thermodynamic properties for the heterogeneously catalyzed selective oxidation of cyclohexane in carbon diocide expanded media by experiment and molecular simulation |
| title_sort | thermodynamic properties for the heterogeneously catalyzed selective oxidation of cyclohexane in carbon diocide expanded media by experiment and molecular simulation |
| topic | Cyclohexan (DE-588)4148544-0 gnd Selektive Oxidation (DE-588)4444728-0 gnd Heterogene Katalyse (DE-588)4123377-3 gnd |
| topic_facet | Cyclohexan Selektive Oxidation Heterogene Katalyse Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026815137&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| volume_link | (DE-604)BV040983565 |
| work_keys_str_mv | AT merkerthorsten thermodynamicpropertiesfortheheterogeneouslycatalyzedselectiveoxidationofcyclohexaneincarbondiocideexpandedmediabyexperimentandmolecularsimulation |