Negative gas adsorption of flexible metal-organic frameworks:
Saved in:
| Main Author: | |
|---|---|
| Format: | Thesis Book |
| Language: | English |
| Published: |
München
Verlag Dr. Hut
2019
|
| Edition: | 1. Auflage |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Item Description: | Literaturverzeichnis Seite 477-490 |
| Physical Description: | xii, 501 Seiten Illustrationen, Diagramme |
| ISBN: | 9783843939645 |
Staff View
MARC
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| 020 | |a 9783843939645 |9 978-3-8439-3964-5 | ||
| 035 | |a (OCoLC)1100490819 | ||
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| 100 | 1 | |a Krause, Simon |d 1988- |e Verfasser |0 (DE-588)1179936167 |4 aut | |
| 245 | 1 | 0 | |a Negative gas adsorption of flexible metal-organic frameworks |c von M. Sc. Simon Krause |
| 250 | |a 1. Auflage | ||
| 264 | 1 | |a München |b Verlag Dr. Hut |c 2019 | |
| 300 | |a xii, 501 Seiten |b Illustrationen, Diagramme | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 500 | |a Literaturverzeichnis Seite 477-490 | ||
| 502 | |b Dissertation |c Technische Universität Dresden |d 2019 | ||
| 650 | 0 | 7 | |a Gas |0 (DE-588)4019320-2 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Adsorptionsgleichgewicht |0 (DE-588)4226597-6 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Adsorption |0 (DE-588)4000536-7 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Mesoporöser Kristall |0 (DE-588)4509028-2 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Metallorganisches Netzwerk |0 (DE-588)7755315-9 |2 gnd |9 rswk-swf |
| 653 | |a Negative Gas Adsorption | ||
| 653 | |a Metal-Organic Frameworks | ||
| 653 | |a Flexible MOF | ||
| 653 | |a Chemie/Anorganische Chemie | ||
| 655 | 7 | |0 (DE-588)4113937-9 |a Hochschulschrift |2 gnd-content | |
| 689 | 0 | 0 | |a Metallorganisches Netzwerk |0 (DE-588)7755315-9 |D s |
| 689 | 0 | 1 | |a Mesoporöser Kristall |0 (DE-588)4509028-2 |D s |
| 689 | 0 | 2 | |a Gas |0 (DE-588)4019320-2 |D s |
| 689 | 0 | 3 | |a Adsorption |0 (DE-588)4000536-7 |D s |
| 689 | 0 | 4 | |a Adsorptionsgleichgewicht |0 (DE-588)4226597-6 |D s |
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| 999 | |a oai:aleph.bib-bvb.de:BVB01-031844867 | ||
Record in the Search Index
| _version_ | 1804180985306152960 |
|---|---|
| adam_text | TABLE
OF
CONTENTS
MOTIVATION
......................................................................................................................
17
1
STATE
OF
THE
ART
...................................................................................................
21
1.1
FUNDAMENTALS
OF
ADSORPTION
...............................................................................
21
1.2
ADSORPTION
IN
POROUS
SOLIDS
...............................................................................
23
1.2.1
CLASSIFICATION
OF
POROSITY
AND
POROUS
MATERIALS
..................................................
23
1.2.2
HISTORICAL
DEVELOPMENT
OF
POROUS
MATERIALS
......................................................
25
1.2.3
METAL-ORGANIC
FRAMEWORKS
................................................................................
25
1.2.4
ADSORPTION
AND
DESORPTION
ISOTHERMS
................................................................
29
1.2.5
ADSORPTION
POTENTIAL
AND
PORE-SIZE
DISTRIBUTION
OF
POROUS
MATERIALS
................
32
1.2.6
SPECIFIC
SURFACE
AREA
AND
PORE
VOLUME
.............................................................
33
1.2.7
HYSTERESIS
AND
CAPILLARY
CONDENSATION
..............................................................
35
1.2.8
RELEASE
OF
GAS
FROM
POROUS
MATERIALS
................................................................
36
1.3
STRUCTURAL
TRANSITIONS
IN
POROUS
SOLIDS...............................................................
38
1.3.1
ADSORPTION
INDUCED
DEFORMATION
OF
POROUS
SOLIDS
.............................................
38
1.3.2
PRESSURE-INDUCED
DEFORMATION
OF
POROUS
SOLIDS
................................................
40
1.3.3
TEMPERATURE-INDUCED
DEFORMATION
OF
POROUS
SOLIDS
.........................................
42
1.4
STIMULI-RESPONSIVE
SOFT
POROUS
CRYSTALS
...........................................................
43
1.5
PHYSISORPTION
ISOTHERMS
OF
FLEXIBLE
ADSORBENTS
................................................
45
1.6
NEGATIVE
ADSORPTION
GRADIENT
............................................................................
48
1.7
APPLICATION
OF
FLEXIBLE
METAL-ORGANIC
FRAMEWORKS
..........................................
50
2
METHODS
...............................................................................................................
53
2.1
GAS
ADSORPTION
EXPERIMENTS
...............................................................................
53
2.2
DETERMINATION
OF
ADSORPTION
ENTHALPY
................................................................
56
2.3
STRUCTURAL
ANALYSIS
BY
CRYSTALLOGRAPHIC
METHODS
...............................................
58
2.4
STRUCTURAL
ANALYSIS
BY
SPECTROSCOPIC
METHODS
...................................................
60
2.5
IN
SITU
EXPERIMENTS
UPON
GAS
LOADING
AND
VARIABLE
TEMPERATURE
.....................
60
2.6
COMPUTATIONAL
METHODS
.......................................................................................
62
3
RESULTS
AND
DISCUSSION
.......................................................................................
63
3.1
NEGATIVE
GAS
ADSORPTION
IN
DUT
-49
..................................................................
63
3.1.1
DISCOVERY
AND
RATIONALISATION
OF
NEGATIVE
GAS
ADSORPTION
IN
DUT-49
............
63
3.1.2
DEFINITION
OF
NEGATIVE
GAS
ADSORPTION
...............................................................
77
3.1.3
ANALYSIS
OF
NEGATIVE
GAS
ADSORPTION
BY
IN
SITU
129
XE
NMR
SPECTROSCOPY......
78
3.1.4
COMPUTATIONAL
ANALYSIS
ON
STRUCTURAL
CONTRACTION
IN
DUT-49
.............................
83
3.2
MANIPULATION
OF
NEGATIVE
GAS
ADSORPTION
IN
DUT-49
......................................
88
3.2.1
ACTIVATION-
AND
CRYSTAL
SIZE-DEPENDENCE
OF
NEGATIVE
GAS
ADSORPTION
..............
88
3.2.2
INTRODUCTION
AND
EFFECT
OF
STRUCTURAL
DEFECTS
IN
DUT-49
...................................
97
3.2.3
ANALYSIS
OF
NITROGEN
ADSORPTION
AT
DIFFERENT
TEMPERATURE
AND
CRYSTAL
SIZE
DISTRIBUTIONS
........................................................................................................
113
3.2.4
THE
IMPACT
OF
ADSORPTION
TEMPERATURE
ON
NGA
..............................................
126
3.2.5
VARIATION
OF
ADSORPTIVE
......................................................................................
139
3.2.6
COLLECTIVE
ANALYSIS
OF
TEMPERATURE-
AND
GUEST-DEPENDING
NGA
IN
DUT-49..
154
3.2.7
COLLECTIVE
ANALYSIS
OF
NGA-INFLUENCING
PARAMETERS
........................................
157
3.3
RATIONAL
DESIGN
OF
MATERIALS
WITH
NEGATIVE
GAS
ADSORPTION
TRANSITIONS
........
161
3.3.1
WHICH
STRUCTURAL
TRANSITIONS
LEAD
TO
NEGATIVE
GAS
ADSORPTION?
.....................
161
3.3.2
HOW
TO
DESIGN
NOVEL
MATERIALS
WITH
ENHANCED
NEGATIVE
GAS
ADSORPTION
TRANSITIONS?
.........................................................................................................
166
3.4
VARIATION
OF
LIGAND
LENGTH
AND
PORE
SIZE
DISTRIBUTION
....................................
170
3.4.1
MODELLING
OF
LIGANDS/FRAMEWORKS
AND
COMPUTATIONAL
ANALYSIS
....................
170
3.4.2
SYNTHESIS
AND
CHARACTERIZATION
OF
LIGANDS
AND
METAL-ORGANIC
FRAMEWORKS....
176
3.4.3
ANALYSIS
OF
MECHANICAL
PROPERTIES
BY
MERCURY
INTRUSION
.................................
183
3.4.4
ANALYSIS
OF
ADSORPTION
BEHAVIOR
........................................................................
188
3.4.5
ANALYSIS
OF
ADSORPTION
ENERGETICS
.....................................................................
194
3.4.6
ANALYSIS
OF
STRUCTURAL
TRANSITIONS
IN
DUT-50
AND
DUT-151INT
.......................
200
3.5
INVESTIGATIONS
ON
THE
ADSORPTION
MECHANISM
OF
METHANE
................................
211
3.6
INTERPENETRATED
DUT-1
51
-ANALOGUE
..................................................................
220
3.7
VARIATION
OF
LIGAND
STIFFNESS
............................................................................
224
3.7.1
COMPUTATIONAL
ANALYSIS
OF
DUT-49-ANALOGUES
WITH
DIFFERENT
LIGAND
STIFFNESS
224
3.7.2
SYNTHESIS
AND
ANALYSIS
OF
ORGANIC
LIGANDS
AND
METAL-ORGANIC
FRAMEWORKS
..225
3.7.3
ANALYSIS
OF
MECHANICAL
PROPERTIES
....................................................................
228
3.7.4
ANALYSIS
OF
ADSORPTION
BEHAVIOR
.......................................................................
229
3.7.5
ANALYSIS
OF
ADSORPTION
ENERGETICS
....................................................................
235
3.7.6
STRUCTURAL
ANALYSIS
OF
THE
INFLUENCE
OF
LIGAND
STIFFNESS
ON
NGA
IN
DUT-49-
ANALOGUE
MOFS
.................................................................................................
238
3.8
SOFTENING
OF
THE
LIGAND
BACKBONE
IN
DUT-49-ANALOGUES
...............................
243
3.9
ACETYLENE-DERIVED
LIGANDS
FOR
IMPROVED
BUCKLING
AND
NGA
.........................
249
3.9.1
SYNTHESIS
OF
ACETYLENE-DERIVED
LIGANDS
AND
MOE
..........................................
250
3.9.2
ANALYSIS
OF
ADSORPTION
BEHAVIOR
OF
DUT-1
60
..................................................
253
3.9.3
ANALYSIS
OF
STRUCTURAL
TRANSITIONS
IN
DUT-1
60
.................................................
258
3.10
HETEROCYCLE-DERIVED
LIGANDS
FOR
IMPROVED
BUCKLING
AND
NGA
......................
261
3.10.1
SYNTHESIS
AND
CHARACTERIZATION
OF
THIOPHENE-DERIVED
LIGANDS
AND
MOFS
.....
263
3.10.2
ANALYSIS
OF
ADSORPTION
BEHAVIOR
OF
THIOPHENE-DERIVED
MOFS
.......................
267
3.10.3
ANALYSIS
OF
STRUCTURAL
TRANSITIONS
IN
DUT-1
71
AND
DUT-1
73
.........................
272
3.10.4
PYRIMIDINE-BASED
LIGANDS
.................................................................................
274
3.11
MULTIVARIANT
METAL-ORGANIC
FRAMEWORKS
FOR
NEGATIVE
GAS
ADSORPTION
...........
275
4
SUMMARY
AND
OUTLOOK
.....................................................................................
281
14
4.1
GLOBAL
COMPARISON
AND
TRENDS
OF
NGA
IN
DUT-49-ANALOGUE
MOFS
............
281
4.2
APPLICATION
OF
NEGATIVE
GAS
ADSORPTION
...........................................................
292
4.3
HOW
TO
DISCOVER
NOVEL
NGA
MATERIALS
............................................................
301
5
EXPERIMENTAL
SECTION
........................................................................................
305
5.1
INSTRUMENTS
AND
CHARACTERIZATION
TECHNIQUES
...................................................
305
5.1.1
GAS
ADSORPTION
EXPERIMENTS
.............................................................................
305
5.1.2
SINGLE
CRYSTAL
X-RAY
DIFFRACTION
......................................................................
306
5.1.3
X-RAY
DIFFRACTION
..............................................................................................
306
5.1.4
IN
SITU
POWDER
X-RAY
DIFFRACTION
......................................................................
307
5.1.5
IN
SITU
NEUTRON
POWDER
DIFFRACTION
...................................................................
307
5.1.6
IN
SITU
CALORIMETRY
IN
PARALLEL
TO
ADSORPTION
OF
N-BUTANE
.................................
308
5.1.7
NMR
SPECTROSCOPY
............................................................................................
310
5.1.8
MASS
SPECTROMETRY.............................................................................................
311
5.1.9
DIFFUSE
REFLECTANCE
INFRARED
FOURIER
TRANSFORM
SPECTROSCOPY.........................
311
5.1.10
UV/VIS
SPECTROSCOPY.........................................................................................
312
5.1.11
THERMOGRAVIMETRIC
ANALYSIS
.............................................................................
312
5.1.12
ELEMENTAL
ANALYSIS
............................................................................................
312
5.1.13
MERCURY
INTRUSION
..............................................................................................
312
5.1.14
SCANNING
ELECTRON
MICROSCOPY
..........................................................................
313
5.1.15
STRUCTURAL
MODELLING
..........................................................................................
313
5.1.16
SIMULATION
OF
PORE
SIZE
DISTRIBUTION
AND
TEXTURAL
PROPERTIES
...........................
314
5.1.17
COMPUTATIONAL
ANALYSIS
OF
LIGANDS,
MOFS
AND
ADSORPTION
ISOTHERMS
............
315
5.2
LIST
OF
CHEMICALS
AND
GASES
..............................................................................
316
5.3
SYNTHESIS
AND
CHARACTERIZATION
OF
ORGANIC
LIGANDS
..........................................
318
5.3.1
SYNTHESIS
OF
13
C-LABELLED
ILBBCDC
.....................................................................
318
5.3.2
SYNTHESIS
OF
9H-CARBAZOLE
BUILDING
BLOCKS
.....................................................
319
5.3.3
GENERAL
SYNTHESIS
PROCEDURE
FOR
COUPLING
REACTIONS
.......................................
321
5.3.4
VARIATION
OF
LIGAND
LENGTH
...............................................................................
323
5.3.5
VARIATION
OF
FUNCTIONAL
GROUPS
IN
LIGAND
BACKBONE
.........................................
329
5.3.6
ALIPHATIC
ANALOGUES
OF
H4(L2)
...........................................................................
334
5.3.7
THIOPHENE-DERIVED
LINKER
.................................................................................
335
5.3.8
PYRIMIDINE-DERIVED
BUILDING
BLOCK
(47)
..........................................................
339
5.4
SYNTHESIS
AND
CHARACTERIZATION
OF
METAL-ORGANIC
FRAMEWORK
...........................
340
5.4.1
SYNTHESIS
OF
SINGLE
CRYSTALS
...............................................................................
340
5.4.2
SUPERCRITICAL
ACTIVATION
OF
MOF
POWDERS
........................................................
340
5.4.3
SYNTHESIS
OF
DUT-49
WITH
VARIATION
IN
MEAN
CRYSTAL
SIZE
..............................
341
5.4.4
SYNTHESIS
OF
DUT-49
WITH
TAILORED
DEFECTS
.....................................................
361
5.4.5
SYNTHESIS
OF
MIXED-LIGAND
DUT-49
.................................................................
363
5.4.6
SYNTHESIS
OF
DUT-49
AND
ANALOGOUS
MOF
MATERIALS
......................................
364
5.4.7
IN
SITU
EXAFS
ANALYSIS
OF
DUT-49
IN
PARALLEL
TO
GAS
ADSORPTION
..................
377
15
5.4.8
IN
SITU
PXRD
ANALYSIS
OF
MOF
POWDERS
IN
PARALLEL
TO
GAS
ADSORPTION
.............
380
5.4.9
IN
SITU
NEUTRON
POWDER
DIFFRACTION
IN
PARALLEL
TO
METHANE
ADSORPTION
..............
430
5.4.10
IN
SITU
DRIFT
SPECTROSCOPY
..............................................................................
450
5.4.11
IN
SITU
UV/VIS
SPECTROSCOPY
.............................................................................
460
5.5
CRYSTALLOGRAFIC
DATA
............................................................................................
462
5.5.1
SINGLE
CRYSTAL
DIFFRACTION
..................................................................................
462
5.5.2
RIETVELD
REFINEMENT
..........................................................................................
468
5.5.3
SUMMARY
OF
COMPUTATIONAL
MODELS
AND
EXPERIMENTAL
STRUCTURES
...................
475
6
REFERENCES
.........................................................................................................
477
7
APPENDIX
...........................................................................................................
491
LIST
OF
ABBREVIATIONS
.....................................................................................................
491
LIST
OF
SYMBOLS
.............................................................................................................
493
16
|
| any_adam_object | 1 |
| author | Krause, Simon 1988- |
| author_GND | (DE-588)1179936167 |
| author_facet | Krause, Simon 1988- |
| author_role | aut |
| author_sort | Krause, Simon 1988- |
| author_variant | s k sk |
| building | Verbundindex |
| bvnumber | BV046432657 |
| classification_rvk | VH 9707 |
| ctrlnum | (OCoLC)1100490819 (DE-599)DNB1179847946 |
| dewey-full | 541.335 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 541 - Physical chemistry |
| dewey-raw | 541.335 |
| dewey-search | 541.335 |
| dewey-sort | 3541.335 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie |
| edition | 1. Auflage |
| format | Thesis Book |
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| genre | (DE-588)4113937-9 Hochschulschrift gnd-content |
| genre_facet | Hochschulschrift |
| id | DE-604.BV046432657 |
| illustrated | Illustrated |
| indexdate | 2024-07-10T08:44:27Z |
| institution | BVB |
| institution_GND | (DE-588)10174118-2 |
| isbn | 9783843939645 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-031844867 |
| oclc_num | 1100490819 |
| open_access_boolean | |
| owner | DE-19 DE-BY-UBM DE-12 DE-83 |
| owner_facet | DE-19 DE-BY-UBM DE-12 DE-83 |
| physical | xii, 501 Seiten Illustrationen, Diagramme |
| publishDate | 2019 |
| publishDateSearch | 2019 |
| publishDateSort | 2019 |
| publisher | Verlag Dr. Hut |
| record_format | marc |
| spelling | Krause, Simon 1988- Verfasser (DE-588)1179936167 aut Negative gas adsorption of flexible metal-organic frameworks von M. Sc. Simon Krause 1. Auflage München Verlag Dr. Hut 2019 xii, 501 Seiten Illustrationen, Diagramme txt rdacontent n rdamedia nc rdacarrier Literaturverzeichnis Seite 477-490 Dissertation Technische Universität Dresden 2019 Gas (DE-588)4019320-2 gnd rswk-swf Adsorptionsgleichgewicht (DE-588)4226597-6 gnd rswk-swf Adsorption (DE-588)4000536-7 gnd rswk-swf Mesoporöser Kristall (DE-588)4509028-2 gnd rswk-swf Metallorganisches Netzwerk (DE-588)7755315-9 gnd rswk-swf Negative Gas Adsorption Metal-Organic Frameworks Flexible MOF Chemie/Anorganische Chemie (DE-588)4113937-9 Hochschulschrift gnd-content Metallorganisches Netzwerk (DE-588)7755315-9 s Mesoporöser Kristall (DE-588)4509028-2 s Gas (DE-588)4019320-2 s Adsorption (DE-588)4000536-7 s Adsorptionsgleichgewicht (DE-588)4226597-6 s DE-604 Verlag Dr. Hut (München) (DE-588)10174118-2 pbl DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=031844867&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Krause, Simon 1988- Negative gas adsorption of flexible metal-organic frameworks Gas (DE-588)4019320-2 gnd Adsorptionsgleichgewicht (DE-588)4226597-6 gnd Adsorption (DE-588)4000536-7 gnd Mesoporöser Kristall (DE-588)4509028-2 gnd Metallorganisches Netzwerk (DE-588)7755315-9 gnd |
| subject_GND | (DE-588)4019320-2 (DE-588)4226597-6 (DE-588)4000536-7 (DE-588)4509028-2 (DE-588)7755315-9 (DE-588)4113937-9 |
| title | Negative gas adsorption of flexible metal-organic frameworks |
| title_auth | Negative gas adsorption of flexible metal-organic frameworks |
| title_exact_search | Negative gas adsorption of flexible metal-organic frameworks |
| title_full | Negative gas adsorption of flexible metal-organic frameworks von M. Sc. Simon Krause |
| title_fullStr | Negative gas adsorption of flexible metal-organic frameworks von M. Sc. Simon Krause |
| title_full_unstemmed | Negative gas adsorption of flexible metal-organic frameworks von M. Sc. Simon Krause |
| title_short | Negative gas adsorption of flexible metal-organic frameworks |
| title_sort | negative gas adsorption of flexible metal organic frameworks |
| topic | Gas (DE-588)4019320-2 gnd Adsorptionsgleichgewicht (DE-588)4226597-6 gnd Adsorption (DE-588)4000536-7 gnd Mesoporöser Kristall (DE-588)4509028-2 gnd Metallorganisches Netzwerk (DE-588)7755315-9 gnd |
| topic_facet | Gas Adsorptionsgleichgewicht Adsorption Mesoporöser Kristall Metallorganisches Netzwerk Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=031844867&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT krausesimon negativegasadsorptionofflexiblemetalorganicframeworks AT verlagdrhutmunchen negativegasadsorptionofflexiblemetalorganicframeworks |