Structure property correlations for nanoporous materials:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Boca Raton, FL [u.a.]
CRC Press
2010
|
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XVII, 335 S. Ill., graph. Darst. CD-ROM (12 cm) |
| ISBN: | 9781420082746 |
Internformat
MARC
| LEADER | 00000nam a2200000zc 4500 | ||
|---|---|---|---|
| 001 | BV036064817 | ||
| 003 | DE-604 | ||
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| 007 | t | ||
| 008 | 100305s2010 xxuad|| |||| 00||| eng d | ||
| 010 | |a 2009038085 | ||
| 020 | |a 9781420082746 |c hardcover : alk. paper |9 978-1-4200-8274-6 | ||
| 035 | |a (OCoLC)226357413 | ||
| 035 | |a (DE-599)BVBBV036064817 | ||
| 040 | |a DE-604 |b ger |e aacr | ||
| 041 | 0 | |a eng | |
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| 100 | 1 | |a Chatterjee, Abhijit |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a Structure property correlations for nanoporous materials |c Abhijit Chatterjee |
| 264 | 1 | |a Boca Raton, FL [u.a.] |b CRC Press |c 2010 | |
| 300 | |a XVII, 335 S. |b Ill., graph. Darst. |e CD-ROM (12 cm) | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 650 | 4 | |a Porous materials | |
| 650 | 4 | |a Nanostructured materials | |
| 650 | 0 | 7 | |a Nanoporöser Stoff |0 (DE-588)4800345-1 |2 gnd |9 rswk-swf |
| 689 | 0 | 0 | |a Nanoporöser Stoff |0 (DE-588)4800345-1 |D s |
| 689 | 0 | |5 DE-604 | |
| 856 | 4 | 2 | |m Digitalisierung UB Bayreuth |q application/pdf |u http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=018956212&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |3 Inhaltsverzeichnis |
| 999 | |a oai:aleph.bib-bvb.de:BVB01-018956212 | ||
Datensatz im Suchindex
| _version_ | 1804141111586848768 |
|---|---|
| adam_text | Contents
Foreword
...................................................................................................................ix
Preface
.......................................................................................................................xi
Acknowledgments
....................................................................................................xv
Author
....................................................................................................................xvii
Chapter
1
Basic Aspects of Nanoporous Materials
..............................................1
1.1
Definition
...................................................................................2
1.2
Classification
.............................................................................3
1.3
Key Materials of Interest
...........................................................4
1.4
Major Applications
....................................................................9
1.4.1
Catalytic Applications
................................................10
1.4.2
Application as Separator, Sensor, and Storage
...........11
1.4.3
Biological Applications
..............................................14
1.4.4
Polymer Applications
.................................................15
1.5
The Challenges
........................................................................16
1.6
The Future
...............................................................................17
References
..........................................................................................18
Chapter
2
Molecular Modeling
...........................................................................21
2.1
General Introduction
...............................................................21
2.2
Methods
...................................................................................23
2.2.1
Quantum Mechanical Calculations
............................24
2.3
Monte Carlo Simulation
..........................................................24
2.4
Molecular Mechanics
..............................................................33
2.4.1
Potential Energy Surface
............................................33
2.5
Molecular Dynamics
...............................................................42
2.6
Challenges
...............................................................................51
References
..........................................................................................52
Chapters Density Functional Theory
.................................................................55
3.1
Basic Wave Mechanics
............................................................56
3.2
Density Matrix
.........................................................................59
3.2.1
The Density Matrix and Density Operator
................60
3.3
Chemical Potential
..................................................................63
3.4
Modeling of Chemical Bonds
..................................................67
3.4.1
The Hybrid Orbital Model
..........................................68
3.4.2
The Molecular Orbital Model
....................................68
3.4.3
The Electron Tunneling Model
..................................68
VI
Contents
3.5
Challenges
...............................................................................72
3.6
Future
.......................................................................................73
References..........................................................................................
75
Chapter
4
Local Reactivity Descriptors
..............................................................77
4.1
Electronic Fukui Function
.......................................................79
4.2
Nuclear Fukui Function
...........................................................82
4.3
Local Softness and Local Hardness
........................................83
4.4
Philicity
...................................................................................85
References
..........................................................................................92
Chapter
5
Synthesis of Nanoporous Materials
...................................................95
5.1
Nucleation and Growth
............................................................95
5.2
Screening Raw Materials
......................................................103
5.3
Optimizing the Bulk Structure with Varied
Composition
.......................................................................109
5.4
Stability Test with High Temperature and Pressure
..............113
5.5
Microscopic Understanding
..................................................117
References
........................................................................................119
Chapter
6
Characterization of Nanoporous Materials
......................................123
6.1
Chemical Composition
..........................................................124
6.2
Spectroscopic Analysis
..........................................................147
6.3
Mechanical Stability
..............................................................164
6.4
Bulk Porosity
—
Comparison with Adsorption
Isotherms
..............................................................................168
References
........................................................................................176
Chapter
7
Surface Activity Measurement
.........................................................183
7.1
Surface Area
..........................................................................184
7.2
Surface Chemistry
.................................................................190
7.3
Surface Confinement
.............................................................195
7.4
Surface Activity
.....................................................................204
7.4.1
Adsorption of Alkanes
.............................................205
7.4.2
Adsorption and Diffusion of Aromatics
...................207
7.4.3
Adsorption of Others, Mainly CO2 and H2
..............208
7.5
Chemisorption/Physisorption
................................................212
7.6
Surface Characterization
—
A Comparison
with Experimental Tools
.......................................................221
References
........................................................................................222
Contents
VII
Chapter
8
Application of Nanoporous Materials
..............................................229
8.1
Photonic Crystals
...................................................................229
8.2
Bio-Implants
..........................................................................231
8.3
Sensors
...................................................................................233
8.4
Separation
..............................................................................245
References
........................................................................................260
Chapter
9
Catalytic Reactions
...........................................................................263
9.1
Shape Selectivity
...................................................................263
9.2
Chemical Adsorption
.............................................................288
9.3
Transition State
......................................................................298
References
........................................................................................326
Index
......................................................................................................................331
|
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| illustrated | Illustrated |
| indexdate | 2024-07-09T22:10:41Z |
| institution | BVB |
| isbn | 9781420082746 |
| language | English |
| lccn | 2009038085 |
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| spelling | Chatterjee, Abhijit Verfasser aut Structure property correlations for nanoporous materials Abhijit Chatterjee Boca Raton, FL [u.a.] CRC Press 2010 XVII, 335 S. Ill., graph. Darst. CD-ROM (12 cm) txt rdacontent n rdamedia nc rdacarrier Porous materials Nanostructured materials Nanoporöser Stoff (DE-588)4800345-1 gnd rswk-swf Nanoporöser Stoff (DE-588)4800345-1 s DE-604 Digitalisierung UB Bayreuth application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=018956212&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Chatterjee, Abhijit Structure property correlations for nanoporous materials Porous materials Nanostructured materials Nanoporöser Stoff (DE-588)4800345-1 gnd |
| subject_GND | (DE-588)4800345-1 |
| title | Structure property correlations for nanoporous materials |
| title_auth | Structure property correlations for nanoporous materials |
| title_exact_search | Structure property correlations for nanoporous materials |
| title_full | Structure property correlations for nanoporous materials Abhijit Chatterjee |
| title_fullStr | Structure property correlations for nanoporous materials Abhijit Chatterjee |
| title_full_unstemmed | Structure property correlations for nanoporous materials Abhijit Chatterjee |
| title_short | Structure property correlations for nanoporous materials |
| title_sort | structure property correlations for nanoporous materials |
| topic | Porous materials Nanostructured materials Nanoporöser Stoff (DE-588)4800345-1 gnd |
| topic_facet | Porous materials Nanostructured materials Nanoporöser Stoff |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=018956212&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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