Fundamental concepts in heterogeneous catalysis:
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| Main Authors: | , , , |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Hoboken, NJ
Wiley
[2014]
|
| Subjects: | |
| Online Access: | Inhaltsverzeichnis Klappentext |
| Item Description: | Includes bibliographical references and index |
| Physical Description: | IX, 196 Seiten Illustrationen, Diagramme |
| ISBN: | 9781118888957 |
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MARC
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| 245 | 1 | 0 | |a Fundamental concepts in heterogeneous catalysis |c Jens K. Norskov, Felix Studt, Frank Abild-Pedersen, Thomas Bligaard |
| 264 | 1 | |a Hoboken, NJ |b Wiley |c [2014] | |
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Record in the Search Index
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| adam_text | CONTENTS,?
Preface
viii
1
Heterogeneous Catalysis and a Sustainable Future
1
2
The Potential Energy Diagram
6
2.1
Adsorption,
7
2.2
Surface Reactions,
11
2.3
Diffusion,
13
2.4
Adsorbate-Adsorbate Interactions,
15
2.5
Structure Dependence,
17
2.6
Quantum and Thermal Corrections to the Ground-State
Potential Energy,
20
3
Surface Equilibria
26
3.1
Chemical Equilibria in Gases, Solids, and Solutions,
26
3.2
The Adsorption Entropy,
31
3.3
Adsorption Equilibria: Adsorption Isotherms,
34
3.4
Free Energy Diagrams for Surface Chemical Reactions,
40
Appendix
3.1
The Law of Mass Action and the Equilibrium
Constant,
42
Appendix
3.2
Counting the Number of
Adsórbate
Configurations,
44
Appendix
3.3
Configurational Entropy of Adsorbates,
44
vi
CONTENTS
4
Rate
Constants
47
4.1
The Timescale Problem in Simulating Rare Events,
48
4.2
Transition State Theory,
49
4.3
Recrossings and Variational Transition State Theory,
59
4.4
Harmonic Transition State Theory,
61
5
Kinetics
68
5.1
Microkinetic Modeling,
68
5.2
Microkinetics of Elementary Surface Processes,
69
5.3
The Microkinetics of Several Coupled Elementary
Surface Processes,
74
5.4
Ammonia Synthesis,
79
6
Energy Trends in Catalysis
85
6.1
Energy Correlations for Physisorbed Systems,
85
6.2
Chemisorption Energy Scaling Relations,
87
6.3
Transition State Energy Scaling Relations in Heterogeneous
Catalysis,
90
6.4
Universality of Transition State Scaling Relations,
93
7
Activity and Selectivity Maps
97
7.1
Dissociation Rate-Determined Model,
97
7.2
Variations in the Activity Maximum with Reaction Conditions,
101
7.3
Sabatier Analysis,
103
7.4
Examples of Activity Maps for Important Catalytic Reactions,
105
7.4.1
Ammonia Synthesis,
105
7.4.2
The Methanation Reaction,
107
7.5
Selectivity Maps,
112
8
The Electronic Factor in Heterogeneous Catalysis
114
8.1
The
ur-Band
Model of Chemical Bonding at Transition Metal
Surfaces,
114
8.2
Changing the ¿/-Band Center: Ligand Effects,
125
8.3
Ensemble Effects in Adsorption,
130
8.4
Trends in Activation Energies,
131
8.5
Ligand Effects for Transition Metal Oxides,
134
9
Catalyst Structure: Nature of the Active Site
138
9.1
Structure of Real Catalysts,
138
9.2
Intrinsic Structure Dependence,
139
9.3
The Active Site in High Surface Area Catalysts,
143
9.4
Support and Structural Promoter Effects,
146
CONTENTS
VU
10
Poisoning and Promotion of Catalysts
150
11
Surface
Ełectrocatalysis
155
11.1
The Electrified Solid-Electrolyte Interface,
156
11.2
Electron Transfer Processes at Surfaces,
158
11.3
The Hydrogen Electrode,
161
11.4
Adsorption Equilibria at the Electrified Surface-Electrolyte
Interface,
161
11.5
Activation Energies in Surface Electron Transfer Reactions,
162
11.6
The Potential Dependence of the Rate,
164
11.7
The Overpotential in Electrocatalytic Processes,
167
11.8
Trends in Electrocatalytic Activity: The Limiting Potential Map,
169
12
Relation of Activity to Surface Electronic Structure
175
12.1
Electronic Structure of Solids,
175
12.2
The Band Structure of Solids,
179
123
The Newns-Anderson Model,
184
12.4
Bond-Energy Trends,
186
12.5
Binding Energies Using the Newns-Anderson Model,
193
Index
195
heterogeneous catalysis
Heterogeneous catalysis is the cornerstone of chemical industry and also holds the key to
new processes for sustainable energy conversion and sustainable production
oí
feedstocks
for the chemical industry. Heterogeneous catalysis involves chemical transformations taking
place at the surface of a solid, and is a very complex phenomenon. There is now a consistent
vet of concepts that allow an understanding of surface catalysis and they even form a basis
for design principles
fot
new catalysts.
Based on a graduate/senior-undergraduate course and suitable as a primer for anyone
interested in understanding the field,
Fundamentai
Concepts in Heterogeneous
Cata
presents the following:
•
lhe
fundamentals of surface reaction phenomena including potential energy
diagrams, free energy diagrams, and kinetic models
•
foots to reduce the complexity of heterogeneous catalysis including scaling
relations
•
An understanding of trends in catalysis including activity and selectivity maps
•
An introduction to electronic structure effects in catalysis and an
understanding of structural effects
•
Application to a series of heterogeneously catalyzed reactions including
reactions of interest in energy conversion
•
An integration of the conceptual frameworks of electro-catalysis and thermal
heten »geneous
catalysis
•
An understanding of the effect of promoters and poisons in heterogeneous
catalvsis
Unlike most textbooks in the field, the aim of this monograph is not to give a complete
overview of the types i>t catalysts or catalytic pn
>,
but to provide interested students
and researchers with the atomic scale concepts for understanding catalytic phenomena.
JENS K. NORSKOV, PHD, is the Leland
1.
Edwards Professor of
Engineering
at Stanford
University, USA. He is the founding director
ni
the SUN<
Al Tenter
for Interface Science
and Catalysis at
stanford
Universitv and SLAC National Accelerator Laboratory, USA. He
has pioneered the development of a set of concepts allowing a molecular level understanding
of surface chemical processes and heterogeneous catah
-
FELIX STUDT, PHD, is
a Statí
scientist at the SLA< National Accelerator Laboratory,
S .
His SUNCAT research group tocuses on understanding catalvtic processes for efficient
energy conversion and using this as a b gn
Ы
new catalysts.
FRANK ABILD-PEDERSEN, PHD, is a Start Scientist at the SUN«
ΑΊ
I enter at SLAC
National Accelerator Laboratory, USA, where his group
m
the development ^t
theoretical models of molecule surface interactions and mode ;nbing altrafasf surface
processes measured in X-rav free electron las*
THOMAS BLIGAARD, PHD, tuor Staff Scientist at at
SŁAC
National
Accelerato!
Laboratory, USA and the deputy director for theory at the SUN< F Center, USA His
arch
üroup
focuses on the development of electronic structure methods, kin. ols,
and data mining
m
catah sis.
|
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| indexdate | 2024-07-10T01:12:56Z |
| institution | BVB |
| isbn | 9781118888957 |
| language | English |
| lccn | 014028859 |
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| spelling | Nørskov, Jens K. Verfasser aut Fundamental concepts in heterogeneous catalysis Jens K. Norskov, Felix Studt, Frank Abild-Pedersen, Thomas Bligaard Hoboken, NJ Wiley [2014] IX, 196 Seiten Illustrationen, Diagramme txt rdacontent n rdamedia nc rdacarrier Includes bibliographical references and index Heterogeneous catalysis Heterogene Katalyse (DE-588)4123377-3 gnd rswk-swf Heterogene Katalyse (DE-588)4123377-3 s DE-604 Studt, Felix 1976- Verfasser (DE-588)130597627 aut Abild-Pedersen, Frank Verfasser aut Bligaard, Thomas Verfasser aut Digitalisierung UB Bayreuth - ADAM Catalogue Enrichment application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027550050&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis Digitalisierung UB Bayreuth - ADAM Catalogue Enrichment application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027550050&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA Klappentext |
| spellingShingle | Nørskov, Jens K. Studt, Felix 1976- Abild-Pedersen, Frank Bligaard, Thomas Fundamental concepts in heterogeneous catalysis Heterogeneous catalysis Heterogene Katalyse (DE-588)4123377-3 gnd |
| subject_GND | (DE-588)4123377-3 |
| title | Fundamental concepts in heterogeneous catalysis |
| title_auth | Fundamental concepts in heterogeneous catalysis |
| title_exact_search | Fundamental concepts in heterogeneous catalysis |
| title_full | Fundamental concepts in heterogeneous catalysis Jens K. Norskov, Felix Studt, Frank Abild-Pedersen, Thomas Bligaard |
| title_fullStr | Fundamental concepts in heterogeneous catalysis Jens K. Norskov, Felix Studt, Frank Abild-Pedersen, Thomas Bligaard |
| title_full_unstemmed | Fundamental concepts in heterogeneous catalysis Jens K. Norskov, Felix Studt, Frank Abild-Pedersen, Thomas Bligaard |
| title_short | Fundamental concepts in heterogeneous catalysis |
| title_sort | fundamental concepts in heterogeneous catalysis |
| topic | Heterogeneous catalysis Heterogene Katalyse (DE-588)4123377-3 gnd |
| topic_facet | Heterogeneous catalysis Heterogene Katalyse |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027550050&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027550050&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA |
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