Development of molecular models of real fluids for applications in process engineering:
Saved in:
| Main Author: | |
|---|---|
| Format: | Thesis Book |
| Language: | English |
| Published: |
Düsseldorf
VDI-Verl.
2010
|
| Edition: | Als Ms. gedr. |
| Series: | Fortschritt-Berichte VDI
Reihe 3, Verfahrenstechnik ; 912 |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | XIV, 138 S. graph. Darst. |
| ISBN: | 9783183912032 |
Staff View
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Record in the Search Index
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| adam_text | V CONTENTS LIST OF SYMBOLS VII ABSTRACT X KURZFASSUNG XII 1 INTRODUCTION
1 1.1 CURRENT SCIENTIFIC STATE 1 1.2 CONTRIBUTIONS OF THE PRESENT WORK 4
2 FUNDAMENTALS 6 2.1 MOLECULAR MODELING AND SIMULATION 6 2.2 MACROSCOPIC
THERMOPHYSICAL PROPERTIES 7 2.3 CHEMICAL POTENTIAL 8 2.3.1 WIDOM S TEST
PARTICLE METHOD 9 2.3.2 GRADUAL INSERTION 9 2.4 DETERMINATION OF
VAPOR-LIQUID EQUILIBRIA 11 I MOLECULAR MODELS OF REAL FLUIDS 13 3.1
MODELING STRATEGY 14 3.2 MOLECULAR PROPERTIES FROM QUANTUM MECHANICS 16
3.2.1 GEOMETRY 16 3.2.2 ELECTROSTATICS 16 3.2.3 DISPERSION AND REPULSION
17 3.2.4 HYDROGEN BONDING 18 3.3 OPTIMIZATION TO VLE DATA 19 3.4
APPLICATION TO MOLECULES FROM DIFFERENT SUBSTANCE CLASSES 20 3.4.1
ISO-BUTANE AND CYCLOHEXANE 23 3.4.2 FORMALDEHYDE AND DIMETHYL ETHER 29
3.4.3 SULFUR DIOXIDE, DIMETHYL SULFIDE, AND THIOPHENE 34 3.4.4 HYDROGEN
CYANIDE, ACETONITRILE, AND NITROMETHANE 39 3.5 OTHER MOLECULAR MODELS 43
3.5.1 AMMONIA 43 BIBLIOGRAFISCHE INFORMATIONEN
HTTP://D-NB.INFO/100165787X DIGITALISIERT DURCH VI CONTENTS 3.5.2
ETHYLENE OXIDE 49 3.5.3 HEPTAFLOUROPROPANE (R227EA) 54 3.6 CONCLUSION 59
4 APPLICATIONS IN PROCESS ENGINEERING 61 4.1 SECOND VINAI COEFFICIENT 61
4.2 PROPERTIES OF AMMONIA 65 4.2.1 STRUCTURAL QUANTITIES 65 4.2.2
THERMAL AND CALORIC QUANTITIES IN THE HOMOGENEOUS FLUID REGION 65 4.3
PROPERTIES OF ETHYLENE OXIDE 68 4.3.1 PHASE EQUILIBRIA, THERMAL AND
CALORIC PROPERTIES 68 4.3.2 TRANSPORT PROPERTIES 69 4.3.3 SURFACE
TENSION 71 4.3.4 COMPARISON TO EXPERIMENTAL DATA 72 4.4 PROPERTIES OF
THE BINARY MIXTURE R227EA + ETHANOL 75 4.4.1 MIXTURE MODEL 76 4.4.2
RESULTS AND DISCUSSION 77 4.5 PROPERTIES OF HUMID AIR 79 4.5.1 DRY AIR
SIMULATIONS 81 4.5.2 HUMID AIR SIMULATIONS 87 4.5.3 CONCLUSION 94 5
HYDROGELS 95 5.1 LITERATURE OVERVIEW 95 5.2 MODELING APPROACH 97 5.3
SIMULATION OF SWELLING AND SHRINKING 100 6 SUMMARY 103 APPENDIX 105 A
SIMULATION DETAILS 105 A.I MOLECULAR MODELS OF REAL FLUIDS 105 A.2
APPLICATIONS IN PROCESS ENGINEERING 106 A.3 HYDROGELS H2 B NUMERICAL
SIMULATION RESULTS 113 REFERENCES H3
|
| any_adam_object | 1 |
| author | Eckl, Bernhard |
| author_GND | (DE-588)141062452 |
| author_facet | Eckl, Bernhard |
| author_role | aut |
| author_sort | Eckl, Bernhard |
| author_variant | b e be |
| building | Verbundindex |
| bvnumber | BV036126068 |
| classification_rvk | UG 1200 |
| ctrlnum | (OCoLC)634496003 (DE-599)BVBBV036126068 |
| discipline | Physik |
| edition | Als Ms. gedr. |
| format | Thesis Book |
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| genre_facet | Hochschulschrift |
| id | DE-604.BV036126068 |
| illustrated | Illustrated |
| indexdate | 2024-07-09T22:37:28Z |
| institution | BVB |
| isbn | 9783183912032 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-020208473 |
| oclc_num | 634496003 |
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| owner | DE-91G DE-BY-TUM DE-210 DE-83 DE-634 |
| owner_facet | DE-91G DE-BY-TUM DE-210 DE-83 DE-634 |
| physical | XIV, 138 S. graph. Darst. |
| publishDate | 2010 |
| publishDateSearch | 2010 |
| publishDateSort | 2010 |
| publisher | VDI-Verl. |
| record_format | marc |
| series | Fortschritt-Berichte VDI |
| series2 | Fortschritt-Berichte VDI : Reihe 3, Verfahrenstechnik |
| spelling | Eckl, Bernhard Verfasser (DE-588)141062452 aut Development of molecular models of real fluids for applications in process engineering Bernhard Eckl Als Ms. gedr. Düsseldorf VDI-Verl. 2010 XIV, 138 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Fortschritt-Berichte VDI : Reihe 3, Verfahrenstechnik 912 Zugl.: Stuttgart, Univ., Diss., 2009 Binäres Gemisch (DE-588)4068230-4 gnd rswk-swf Fluid (DE-588)4017690-3 gnd rswk-swf Reinstoff (DE-588)4202617-9 gnd rswk-swf Thermophysikalische Eigenschaft (DE-588)4193167-1 gnd rswk-swf Phasengleichgewicht (DE-588)4132145-5 gnd rswk-swf Dampf-Flüssigkeit-Gemisch (DE-588)4264519-0 gnd rswk-swf Mathematisches Modell (DE-588)4114528-8 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Fluid (DE-588)4017690-3 s Reinstoff (DE-588)4202617-9 s Dampf-Flüssigkeit-Gemisch (DE-588)4264519-0 s Phasengleichgewicht (DE-588)4132145-5 s Thermophysikalische Eigenschaft (DE-588)4193167-1 s Mathematisches Modell (DE-588)4114528-8 s DE-101 Binäres Gemisch (DE-588)4068230-4 s Fortschritt-Berichte VDI Reihe 3, Verfahrenstechnik ; 912 (DE-604)BV001897067 912 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020208473&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Eckl, Bernhard Development of molecular models of real fluids for applications in process engineering Fortschritt-Berichte VDI Binäres Gemisch (DE-588)4068230-4 gnd Fluid (DE-588)4017690-3 gnd Reinstoff (DE-588)4202617-9 gnd Thermophysikalische Eigenschaft (DE-588)4193167-1 gnd Phasengleichgewicht (DE-588)4132145-5 gnd Dampf-Flüssigkeit-Gemisch (DE-588)4264519-0 gnd Mathematisches Modell (DE-588)4114528-8 gnd |
| subject_GND | (DE-588)4068230-4 (DE-588)4017690-3 (DE-588)4202617-9 (DE-588)4193167-1 (DE-588)4132145-5 (DE-588)4264519-0 (DE-588)4114528-8 (DE-588)4113937-9 |
| title | Development of molecular models of real fluids for applications in process engineering |
| title_auth | Development of molecular models of real fluids for applications in process engineering |
| title_exact_search | Development of molecular models of real fluids for applications in process engineering |
| title_full | Development of molecular models of real fluids for applications in process engineering Bernhard Eckl |
| title_fullStr | Development of molecular models of real fluids for applications in process engineering Bernhard Eckl |
| title_full_unstemmed | Development of molecular models of real fluids for applications in process engineering Bernhard Eckl |
| title_short | Development of molecular models of real fluids for applications in process engineering |
| title_sort | development of molecular models of real fluids for applications in process engineering |
| topic | Binäres Gemisch (DE-588)4068230-4 gnd Fluid (DE-588)4017690-3 gnd Reinstoff (DE-588)4202617-9 gnd Thermophysikalische Eigenschaft (DE-588)4193167-1 gnd Phasengleichgewicht (DE-588)4132145-5 gnd Dampf-Flüssigkeit-Gemisch (DE-588)4264519-0 gnd Mathematisches Modell (DE-588)4114528-8 gnd |
| topic_facet | Binäres Gemisch Fluid Reinstoff Thermophysikalische Eigenschaft Phasengleichgewicht Dampf-Flüssigkeit-Gemisch Mathematisches Modell Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020208473&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| volume_link | (DE-604)BV001897067 |
| work_keys_str_mv | AT ecklbernhard developmentofmolecularmodelsofrealfluidsforapplicationsinprocessengineering |