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Concepts of Modern Catalysis and Kinetics


Concepts of Modern Catalysis and Kinetics


3. Aufl.

von: I. Chorkendorff, J. W. Niemantsverdriet

87,99 €

Verlag: Wiley-VCH
Format: PDF
Veröffentl.: 30.05.2017
ISBN/EAN: 9783527691289
Sprache: englisch
Anzahl Seiten: 524

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Beschreibungen

In the past 12 years since its publication, Concepts of Modern Catalysis and Kinetics has become a standard textbook for graduate students at universities worldwide. Emphasizing fundamentals from thermodynamics, physical chemistry, spectroscopy, solid state chemistry and quantum chemistry, it introduces catalysis from a molecular perspective, and stresses how it is interwoven with the field of reaction kinetics. The authors go on to explain how the world of reacting molecules is connected to the real world of industry, by discussing the various scales (nano - micro - macro) that play a role in catalysis. Reflecting the modern-day focus on energy supplies, this third edition devotes attention to such processes as gas-to-liquids, coal-to-liquids, biomass conversion and hydrogen production.<br> <br> From reviews of the prior editions:<br> 'Overall, this is a valuable book that I will use in teaching undergraduates and postgraduates.'<br> (Angewandte Chemie - I. E.)<br> <br> '...this excellent book is highly recommended to students at technical universities, but also entrants in chemical industry. Furthermore, this informative handbook is also a must for all professionals in the community.'<br> (AFS)<br> <br> 'I am impressed by the coverage of the book and it is a valuable addition to the catalysis literature and I highly recommend purchase'<br> (Energy Sources)<br> <br>
<p>Preface xiii</p> <p>List of Acronyms xvii</p> <p><b>1 Introduction to Catalysis 1</b></p> <p>1.1 What Is Catalysis? 2</p> <p>1.2 Catalysts Can Be Atoms,Molecules, Enzymes, and Solid Surfaces 4</p> <p>1.2.1 Homogeneous Catalysis 5</p> <p>1.2.2 Biocatalysis 5</p> <p>1.2.3 Heterogeneous Catalysis 6</p> <p>1.3 Why Is Catalysis Important? 9</p> <p>1.3.1 Catalysis and Green Chemistry 9</p> <p>1.3.2 Atom Efficiency, E Factors, and Environmental Friendliness 10</p> <p>1.3.3 The Chemical Industry 11</p> <p>1.4 Catalysis as a Multidisciplinary Science 16</p> <p>1.4.1 The Many Length Scales of a “Catalyst” 16</p> <p>1.4.2 Time Scales in Catalysis 17</p> <p>1.5 The Scope of this Book 18</p> <p>1.6 Appendix: Catalysis in Journals 18</p> <p>References 22</p> <p><b>2 Kinetics 23</b></p> <p>2.1 Introduction 23</p> <p>2.2 The Rate Equation and Power Rate Laws 25</p> <p>2.3 Reactions and Thermodynamic Equilibrium 28</p> <p>2.3.1 Example of Chemical Equilibrium: The Ammonia Synthesis 31</p> <p>2.3.2 Chemical Equilibrium for a Nonideal Gas 33</p> <p>2.4 The Temperature Dependence of the Rate 35</p> <p>2.5 Integrated Rate Equations: Time Dependence of Concentrations in Reactions of Different Orders 38</p> <p>2.6 Coupled Reactions in Flow Reactors: The Steady State Approximation 41</p> <p>2.7 Coupled Reactions in Batch Reactors 45</p> <p>2.8 Catalytic Reactions 48</p> <p>2.8.1 The Mean-Field Approximation 52</p> <p>2.9 Langmuir Adsorption Isotherms 53</p> <p>2.9.1 Associative Adsorption 53</p> <p>2.9.2 Dissociative Adsorption 54</p> <p>2.9.3 Competitive Adsorption 55</p> <p>2.10 Reaction Mechanisms 55</p> <p>2.10.1 Langmuir–Hinshelwood or Eley–Rideal Mechanisms 56</p> <p>2.10.2 Langmuir–Hinshelwood Kinetics 56</p> <p>2.10.3 The Complete Solution 57</p> <p>2.10.4 The Steady State Approximation 58</p> <p>2.10.5 The Quasi-Equilibrium Approximation 59</p> <p>2.10.6 Steps with Similar Rates 60</p> <p>2.10.7 Irreversible Step Approximation 61</p> <p>2.10.8 TheMARI Approximation 61</p> <p>2.10.9 The Nearly Empty Surface 62</p> <p>2.10.10 The Reaction Order 63</p> <p>2.10.11 The Apparent Activation Energy 63</p> <p>2.11 Entropy, Entropy Production, Auto Catalysis, and Oscillating Reactions 67</p> <p>2.12 Kinetics of Enzyme-Catalyzed Reactions 73</p> <p>References 77</p> <p><b>3 Reaction Rate Theory 79</b></p> <p>3.1 Introduction 79</p> <p>3.2 The Boltzmann Distribution and the Partition Function 80</p> <p>3.3 Partition Functions of Atoms andMolecules 83</p> <p>3.3.1 The Boltzmann Distribution 83</p> <p>3.3.2 Maxwell–Boltzmann Distribution of Velocities 86</p> <p>3.3.3 Total Partition Function of a System 87</p> <p>3.4 Molecules in Equilibrium 93</p> <p>3.5 Collision Theory 100</p> <p>3.5.1 Reaction Probability 104</p> <p>3.5.2 Fundamental Objection against Collision Theory 105</p> <p>3.6 Activation of Reacting Molecules by Collisions: The Lindemann Theory 106</p> <p>3.7 Transition State Theory 107</p> <p>3.8 Transition State Theory of Surface Reactions 113</p> <p>3.8.1 Adsorption of Atoms 113</p> <p>3.8.2 Adsorption ofMolecules 118</p> <p>3.8.3 Reaction between Adsorbates 121</p> <p>3.8.4 Desorption ofMolecules 123</p> <p>3.9 Summary 124</p> <p>References 127</p> <p><b>4 Catalyst Characterization 129</b></p> <p>4.1 Introduction 129</p> <p>4.2 X-ray Diffraction (XRD) 131</p> <p>4.3 X-ray Photoelectron Spectroscopy (XPS) 134</p> <p>4.4 X-ray Absorption Spectroscopy (EXAFS and XANES) 139</p> <p>4.4.1 Extended X-ray Absorption Fine Structure (EXAFS) 139</p> <p>4.4.2 X-ray Absorption Near-Edge Spectroscopy (XANES) 143</p> <p>4.5 Electron Microscopy 144</p> <p>4.6 Mossbauer Spectroscopy 148</p> <p>4.7 Ion Spectroscopy: SIMS, LEIS, RBS 151</p> <p>4.8 Temperature-Programmed Reduction, Oxidation, and Sulfidation 155</p> <p>4.9 Infrared Spectroscopy 158</p> <p>4.10 Surface Science Techniques 160</p> <p>4.10.1 Low Electron Energy Diffraction (LEED) 161</p> <p>4.10.2 Scanning ProbeMicroscopy 164</p> <p>4.11 Concluding Remarks 169</p> <p>References 170</p> <p><b>5 SolidCatalysts 173</b></p> <p>5.1 Requirements of a Successful Catalyst 173</p> <p>5.2 The Structure ofMetals, Oxides, and Sulfides and Their Surfaces 175</p> <p>5.2.1 Metal Structures 175</p> <p>5.2.2 Surface Crystallography of Metals 176</p> <p>5.2.3 Oxides and Sulfides 182</p> <p>5.2.4 Surface Free Energy 185</p> <p>5.3 Characteristics of Small Particles and Porous Material 187</p> <p>5.3.1 The Wulff Construction 187</p> <p>5.3.2 The Pore System 190</p> <p>5.3.3 The Surface Area 191</p> <p>5.4 Catalyst Supports 197</p> <p>5.4.1 Silica 197</p> <p>5.4.2 Alumina 199</p> <p>5.4.3 Carbon 201</p> <p>5.4.4 Shaping of Catalyst Supports 201</p> <p>5.5 Preparation of Supported Catalysts 203</p> <p>5.5.1 Coprecipitation 203</p> <p>5.5.2 Impregnation, Adsorption, and Ion Exchange 203</p> <p>5.5.3 Deposition Precipitation 205</p> <p>5.6 Unsupported Catalysts 206</p> <p>5.7 Zeolites 206</p> <p>5.7.1 Structure of a Zeolite 207</p> <p>5.7.2 Compensating Cations and Acidity 208</p> <p>5.7.3 Applications of Zeolites 209</p> <p>5.8 Catalyst Testing 210</p> <p>5.8.1 Ten Commandments for Testing Catalysts 211</p> <p>5.8.2 Activity Measurements 213</p> <p>References 223</p> <p><b>6 Surface Reactivity 225</b></p> <p>6.1 Introduction 225</p> <p>6.2 Physisorption 226</p> <p>6.2.1 The Van derWaals Interaction 226</p> <p>6.2.2 Including the Repulsive Part 227</p> <p>6.3 Chemical Bonding 228</p> <p>6.3.1 Bonding in Molecules 229</p> <p>6.3.2 The Solid Surface 233</p> <p>6.4 Chemisorption 246</p> <p>6.4.1 The Newns–Anderson Model 246</p> <p>6.4.2 Summary of the Newns–Anderson Approximation in Qualitative Terms 252</p> <p>6.4.3 Electrostatic Effects in Atomic Adsorbates on Jellium 254</p> <p>6.5 Important Trends in Surface Reactivity 256</p> <p>6.5.1 Trend in Atomic Chemisorption Energies 257</p> <p>6.5.2 Trends in Molecular Chemisorption 261</p> <p>6.5.3 Trends in Surface Reactivity 265</p> <p>6.5.4 Universality in Heterogeneous Catalysis 274</p> <p>6.5.5 Scaling Relations 276</p> <p>6.5.6 Appendix: Density Functional Theory (DFT) 278</p> <p>References 280</p> <p><b>7 Kinetics of Reactions on Surfaces 283</b></p> <p>7.1 Elementary Surface Reactions 283</p> <p>7.1.1 Adsorption and Sticking 283</p> <p>7.1.2 Desorption 289</p> <p>7.1.3 Lateral Interactions in Surface Reactions 295</p> <p>7.1.4 Dissociation Reactions on Surfaces 297</p> <p>7.1.5 Intermediates in Surface Reactions 301</p> <p>7.1.6 Association Reactions 301</p> <p>7.2 Kinetic Parameters from Fitting Langmuir–Hinshelwood Models 304</p> <p>7.3 Microkinetic Modeling 306</p> <p>7.3.1 Reaction Scheme and Rate Expressions 307</p> <p>7.3.2 Activation Energy and Reaction Orders 310</p> <p>7.3.3 Ammonia Synthesis Catalyst underWorking Conditions 313</p> <p>References 315</p> <p><b>8 Catalysis in Practice: Synthesis Gas and Hydrogen 319</b></p> <p>8.1 Introduction 319</p> <p>8.2 Synthesis Gas and Hydrogen 319</p> <p>8.2.1 Steam Reforming: Basic Concepts of the Process 321</p> <p>8.2.2 Mechanistic Detail of Steam Reforming 323</p> <p>8.2.3 Challenges in the Steam Reforming Process 326</p> <p>8.2.4 The SPARG Process: Selective Poisoning by Sulfur 328</p> <p>8.2.5 Gold–Nickel Alloy Catalyst for Steam Reforming 329</p> <p>8.2.6 Direct Uses of Methane 330</p> <p>8.3 Reaction of Synthesis Gas 332</p> <p>8.3.1 Methanol Synthesis 332</p> <p>8.3.2 Fischer–Tropsch Process 343</p> <p>8.4 Water–Gas Shift Reaction 351</p> <p>8.5 Synthesis of Ammonia 353</p> <p>8.5.1 History of Ammonia Synthesis 353</p> <p>8.5.2 Ammonia Synthesis Plant 355</p> <p>8.5.3 Operating the Reactor 356</p> <p>8.5.4 Scientific Rationale for Improving Catalysts 359</p> <p>8.6 Promoters and Inhibitors 361</p> <p>8.7 The “Hydrogen Society” 364</p> <p>8.7.1 The Need for Sustainable Energy 364</p> <p>8.7.2 Sustainable Energy Sources 366</p> <p>8.7.3 Energy Storage 368</p> <p>8.7.4 Hydrogen Fuel Cells 377</p> <p>References 385</p> <p><b>9 Oil Refining and Petrochemistry 391</b></p> <p>9.1 Crude Oil 391</p> <p>9.2 Hydrotreating 394</p> <p>9.2.1 Heteroatoms and Undesired Compounds 395</p> <p>9.2.2 Hydrotreating Catalysts 397</p> <p>9.2.3 Hydrodesulfurization Reaction Mechanisms 399</p> <p>9.3 Gasoline Production 402</p> <p>9.3.1 Fluidized Catalytic Cracking 404</p> <p>9.3.2 Reforming and Bifunctional Catalysis 406</p> <p>9.3.3 Alkylation 410</p> <p>9.4 Petrochemistry: Reactions of Small Olefins 412</p> <p>9.4.1 Ethylene Epoxidation 412</p> <p>9.4.2 Partial Oxidation and Ammoxidation of Propylene 413</p> <p>9.4.3 Polymerization Catalysis 415</p> <p>References 418</p> <p><b>10 Environmental Catalysis 421</b></p> <p>10.1 Introduction 421</p> <p>10.2 Air Pollution by Automotive Exhaust 422</p> <p>10.2.1 The Three-Way Catalyst 423</p> <p>10.2.2 Catalytic Reactions in the Three-Way Catalyst: Mechanism and Kinetics 429</p> <p>10.2.3 Concluding Remarks on Automotive Catalysts 436</p> <p>10.3 Air Pollution by Large Stationary Sources 437</p> <p>10.3.1 Selective Catalytic Reduction: The SCR Process 437</p> <p>10.3.2 The SCR Process for Mobile Units 443</p> <p>References 444</p> <p>Appendix 447</p> <p>Questions and Exercises 449</p> <p>Index 497</p>
From Reviews of former editions:<br> '... such an enterprise will be of great value to the community, to professionals as well as graduate and undergraduate students attempting to move into the field of modern catalysis and kinetics. I strongly recommend you publish this book based on the proposal.' - Prof. Dr. G. A. Samorjai, University of California<br> <br> 'Both authors are well respected specialists, with a very long record of original top-quality work and an international reputation. A book from these authors will be considered an authoritative piece of work, I definitely support this project and I am looking forward to use the book when published.' - Prof. Dr. D. E. Resasco, University of Oklahoma<br> <br> 'I wholly support the proposed project. The authors are very competent young colleagues and there is a real need for such a textbook' - Prof. Dr. G. Ertl, Fritz-Haber-Institut, Max-Planck-Gesellschaft, Berlin<br> <br> "I am impressed by the coverage of the book and it is a valuable addition to the catalysis literature and I highly recommend purchase"<br> Energy Sources<br> <br> "The book's structure is based on academic courses taught over the years by the two authors. Questions and exercises are offered at the end of the book. Highly recommended." <br> Choice<br> <br> "...this excellent book is highly recommended to students at technical universities, but also entrants in chemical industry. Furthermore, this informative handbook is also a must for all professionals in the community."<br> AFS<br> <br> "The text is well written and easy to follow, with references provided for the reader who wants to know more. The text is enlivened by snippets of information and comment... If you are looking for a good textbook on heterogeneous catalysis, "Concepts of Modern Catalysis and Kinetics" is well worth considering. It is certainly a book I would have liked to have read when I started in catalysis research."<br> Platinum Metals Review<br> <br> "The authors are experienced experts, who have a fundamental understanding of catalysis - from its theoretical-chemical and physical-chemical basics right up to applications in process technology. I wholeheartedly recommend this book to anyone seeking a solid basis in the field of catalysis."<br> Chemie Ingenieur Technik<br> <br> "In summary "Concepts of Modern Catalysis and Kinetics" is a valuable guide to enter and travel the sometimes rather labyrinthine trails in heterogeneous catalysis. "<br> ChemPhysChem<br> <br> "The book is well written and richly illustrated with instructive black and white diagrams. Students, especially those at Eindhoven and Lyngby, will have to read it from cover to cover. More mature readers, such as myself, have the privilege to skip the dry bits on kinetics and focus on the catalysis parts for the sheer excitement of the facts... The book does catalysis justice as a central concept of chemistry."<br> Chemistry & Industry<br> <br> "This book is a thorough and comprehensive introduction to the science and application of heterogeneous catalysis."<br> Applied Organometallic Chemistry<br> <br> "This book will be a valuable addition to many chemistry libraries... For the specialist in heterogeneous catalysis, the book provides a wealth of information regarding both fundamentals and applications."<br> Synthesis<br>
Ib Chorkendorff is Professor in Heterogeneous Catalysis and Director of the Danish National Research Foundation CINF (Center for Individual Nanoparticle Functionality), consulting Professor at SLAC, Stanford University and Director of The Villum Center for Science of Sustainable Fuels and Chemicals. He has been author and coauthor of close to 300 scientific papers and 16 patents. <br> <br> Hans Niemantsverdriet is Emeritus Professor of Physical Chemistry of Surfaces of Eindhoven University of Technology (1989-2015, The Netherlands) and Honorary Distinguished Professor at Cardiff University (UK). Presently he is Director of the Research Institute SynCat@Beijing of Synfuels China Technology, Co., Ltd and his own Dutch research enterprise Syngaschem BV in Eindhoven. He coauthored almost 300 scientific papers and three books, and has served as Editor of the Journal of Catalysis (1996-2015).
Concepts of Modern Catalysis and Kinetics (first edition 2003, second 2007) is the first textbook to span the full range from fundamentals of kinetics and heterogeneous catalysis via modern experimental and theoretical results of model studies to their equivalent large-scale industrial production processes. This expanded third edition includes significant new developments, particularly in the application of catalysis in energy technology. Several chapters have been updated with new examples, and all chapters now have a separate section with literature references. With its focus on practical application on the basis of fundamental understanding, the book provides key knowledge for students at technical and comprehensive universities and professionals already working in industry or academia.

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