Structure property correlations for nanoporous materials:
Saved in:
| Main Author: | |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Boca Raton, FL [u.a.]
CRC Press
2010
|
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | XVII, 335 S. Ill., graph. Darst. CD-ROM (12 cm) |
| ISBN: | 9781420082746 |
Staff View
MARC
| LEADER | 00000nam a2200000zc 4500 | ||
|---|---|---|---|
| 001 | BV036064817 | ||
| 003 | DE-604 | ||
| 005 | 20120827 | ||
| 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 | |
| 044 | |a xxu |c US | ||
| 049 | |a DE-703 |a DE-29T |a DE-11 |a DE-384 | ||
| 050 | 0 | |a TA418.9.P6 | |
| 082 | 0 | |a 620.1/16 | |
| 084 | |a VE 9850 |0 (DE-625)147163:253 |2 rvk | ||
| 084 | |a ZM 7030 |0 (DE-625)157105: |2 rvk | ||
| 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 | ||
Record in the Search Index
| _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
|
| any_adam_object | 1 |
| author | Chatterjee, Abhijit |
| author_facet | Chatterjee, Abhijit |
| author_role | aut |
| author_sort | Chatterjee, Abhijit |
| author_variant | a c ac |
| building | Verbundindex |
| bvnumber | BV036064817 |
| callnumber-first | T - Technology |
| callnumber-label | TA418 |
| callnumber-raw | TA418.9.P6 |
| callnumber-search | TA418.9.P6 |
| callnumber-sort | TA 3418.9 P6 |
| callnumber-subject | TA - General and Civil Engineering |
| classification_rvk | VE 9850 ZM 7030 |
| ctrlnum | (OCoLC)226357413 (DE-599)BVBBV036064817 |
| dewey-full | 620.1/16 |
| dewey-hundreds | 600 - Technology (Applied sciences) |
| dewey-ones | 620 - Engineering and allied operations |
| dewey-raw | 620.1/16 |
| dewey-search | 620.1/16 |
| dewey-sort | 3620.1 216 |
| dewey-tens | 620 - Engineering and allied operations |
| discipline | Chemie / Pharmazie Werkstoffwissenschaften / Fertigungstechnik |
| format | Book |
| fullrecord | <?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01495nam a2200397zc 4500</leader><controlfield tag="001">BV036064817</controlfield><controlfield tag="003">DE-604</controlfield><controlfield tag="005">20120827 </controlfield><controlfield tag="007">t</controlfield><controlfield tag="008">100305s2010 xxuad|| |||| 00||| eng d</controlfield><datafield tag="010" ind1=" " ind2=" "><subfield code="a">2009038085</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">9781420082746</subfield><subfield code="c">hardcover : alk. paper</subfield><subfield code="9">978-1-4200-8274-6</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(OCoLC)226357413</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)BVBBV036064817</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-604</subfield><subfield code="b">ger</subfield><subfield code="e">aacr</subfield></datafield><datafield tag="041" ind1="0" ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="044" ind1=" " ind2=" "><subfield code="a">xxu</subfield><subfield code="c">US</subfield></datafield><datafield tag="049" ind1=" " ind2=" "><subfield code="a">DE-703</subfield><subfield code="a">DE-29T</subfield><subfield code="a">DE-11</subfield><subfield code="a">DE-384</subfield></datafield><datafield tag="050" ind1=" " ind2="0"><subfield code="a">TA418.9.P6</subfield></datafield><datafield tag="082" ind1="0" ind2=" "><subfield code="a">620.1/16</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">VE 9850</subfield><subfield code="0">(DE-625)147163:253</subfield><subfield code="2">rvk</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">ZM 7030</subfield><subfield code="0">(DE-625)157105:</subfield><subfield code="2">rvk</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Chatterjee, Abhijit</subfield><subfield code="e">Verfasser</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Structure property correlations for nanoporous materials</subfield><subfield code="c">Abhijit Chatterjee</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="a">Boca Raton, FL [u.a.]</subfield><subfield code="b">CRC Press</subfield><subfield code="c">2010</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">XVII, 335 S.</subfield><subfield code="b">Ill., graph. Darst.</subfield><subfield code="e">CD-ROM (12 cm)</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="b">n</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="b">nc</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Porous materials</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Nanostructured materials</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Nanoporöser Stoff</subfield><subfield code="0">(DE-588)4800345-1</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="689" ind1="0" ind2="0"><subfield code="a">Nanoporöser Stoff</subfield><subfield code="0">(DE-588)4800345-1</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2=" "><subfield code="5">DE-604</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="m">Digitalisierung UB Bayreuth</subfield><subfield code="q">application/pdf</subfield><subfield code="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</subfield><subfield code="3">Inhaltsverzeichnis</subfield></datafield><datafield tag="999" ind1=" " ind2=" "><subfield code="a">oai:aleph.bib-bvb.de:BVB01-018956212</subfield></datafield></record></collection> |
| id | DE-604.BV036064817 |
| illustrated | Illustrated |
| indexdate | 2024-07-09T22:10:41Z |
| institution | BVB |
| isbn | 9781420082746 |
| language | English |
| lccn | 2009038085 |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-018956212 |
| oclc_num | 226357413 |
| open_access_boolean | |
| owner | DE-703 DE-29T DE-11 DE-384 |
| owner_facet | DE-703 DE-29T DE-11 DE-384 |
| physical | XVII, 335 S. Ill., graph. Darst. CD-ROM (12 cm) |
| publishDate | 2010 |
| publishDateSearch | 2010 |
| publishDateSort | 2010 |
| publisher | CRC Press |
| record_format | marc |
| 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 |
| work_keys_str_mv | AT chatterjeeabhijit structurepropertycorrelationsfornanoporousmaterials |