Catalysis - Gadi Rothenberg - E-Book

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Gadi Rothenberg

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After the great success now in its 2nd Edition: This textbook covers all aspects of catalysis, including computational methods, industrial applications and green chemistry

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Table of Contents

Cover

Title

Copyright

Dedication

Preface

1 Introduction

1.1 Green Chemistry and Sustainable Development

1.2 What Is Catalysis and Why Is It Important?

1.3 Tools in Catalysis Research

1.4 Exercises

References

Further Reading

2 The Basics of Catalysis

2.1 Catalysis Is a Kinetic Phenomenon

2.2 Practical Approaches in Kinetic Studies

2.3 An Overview of Some Basic Concepts in Catalysis

2.4 Exercises

References

3 Homogeneous Catalysis

3.1 Metal Complex Catalysis in the Liquid Phase

3.2 Homogeneous Catalysis without Metals

3.3 Scaling Up Homogeneous Reactions: Pros and Cons

3.4 ‘Click Chemistry’ and Homogeneous Catalysis

3.5 Exercises

References

4 Heterogeneous Catalysis

4.1 Classic Gas/Solid Systems

4.2 Liquid/Solid and Liquid/Liquid Catalytic Systems

4.3 Advanced Process Solutions Using Heterogeneous Catalysis

4.4 Exercises

References

5 Biocatalysis

5.1 The Basics of Enzymatic Catalysis

5.2 Applications of Enzyme Catalysis

5.3 Developing New Biocatalysts: Better than Nature’s Best

5.4 Non-enzymatic Biocatalysts

5.5 Industrial Examples

5.6 Exercises

References

6 Computer Applications in Catalysis Research

6.1 Computers as Research Tools in Catalysis

6.2 Modelling of Catalysts and Catalytic Cycles

6.3 Predictive Modelling and Rational Catalyst Design

6.4 An Overview of Data Mining Methods in Catalysis

6.5 Exercises

References

Index

End User License Agreement

List of Tables

1 Introduction

Table 1.1 Annual production and E-factors in the chemical industry.

Table 1.2 Hazard quotient (

Q

) values for some common chemical by-products.

Table 1.3 Comparison of the various propene oxide routes by type and by-product.

2 The Basics of Catalysis

Table 2.1 Kinetic parameters for simple chemical reactions.

Table 2.2 Initial reaction rates at various initial concentrations.

Table 2.3 Measured concentrations of alkene A over time.

Table 2.4 Initial methanation rates for various starting concentrations.

3 Homogeneous Catalysis

Table 3.1 Turnover frequencies (TOFs) for the air oxidation of 3-carene.

Table 3.2 Butadiene dimerisation and trimerisation yields with different catalysts.

4 Heterogeneous Catalysis

Table 4.1 Examples of major industrial processes using heterogeneous catalysis.

Table 4.2 Exhaust gas constituent concentrations and their legal limits.

Table 4.3 Average biodiesel emissions compared to conventional diesel.

Table 4.4 A

3

coupling catalysed by Cu/Al.

a)

Table 4.5 Properties and performance of MoO

x

−TiO

2

catalysts.

5 Biocatalysis

Table 5.1 Abbreviations and residue structures of the 20 natural (L)-

α

-amino acids.

Table 5.2 The six classes and functions of enzymes, according to the International Enzyme Commission.

Table 5.3 Examples of enzyme applications in the food and detergent sectors [30].

Table 5.4 Examples of amide synthesis with

R. rhodochrous

nitrile hydratase [109].

6 Computer Applications in Catalysis Research

Table 6.1 Metal and adsorbate descriptors [90].

Landmarks

Cover

Table of Contents

Begin Reading

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e1

Gadi Rothenberg

Catalysis

Concepts and Green Applications

Second, revised and enlarged edition

Author

Gadi RothenbergUniversity of Amsterdam Van’t Hoff Institute for Molecular Sciences Science Park 904 1090 XH Amsterdam Netherlands

Cover

Cover picture by Itamar Daube, www.itamardaube.com

All books published by Wiley-VCH are carefully produced. Nevertheless, authors, editors, and publisher do not warrant the information contained in these books, including this book, to be free of errors. Readers are advised to keep in mind that statements, data, illustrations, procedural details or other items may inadvertently be inaccurate.

Library of Congress Card No.: applied for

British Library Cataloguing-in-Publication Data: A catalogue record for this book is available from the British Library.

Bibliographic information published by the Deutsche Nationalbibliothek The Deutsche Nationalbibliothek lists this publication in the Deutsche Nationalbibliografie; detailed bibliographic data are available on the Internet at http://dnb.d-nb.de.

© 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Boschstr. 12, 69469 Weinheim, Germany

All rights reserved (including those of translation into other languages). No part of this book may be reproduced in any form – by photoprinting, microfilm, or any other means – nor transmitted or translated into a machine language without written permission from the publishers. Registered names, trademarks, etc. used in this book, even when not specifically marked as such, are not to be considered unprotected by law.

Print ISBN 978-3-527-34305-8 ePDF ISBN 978-3-527-80888-5 ePub ISBN 978-3-527-80890-8 Mobi ISBN 978-3-527-80889-2

Cover Design Grafik-Design Schulz

Typesetting le-tex publishing services GmbH, Leipzig, Deutschland

I never write metropolis for seven cents, because I can get the same price for city.

Mark Twain

Preface

This textbook covers the basics of catalysis from a ‘green chemistry’ perspective. Its main message is that heterogeneous catalysis, homogeneous catalysis and biocatalysis are all one discipline, so you need to understand only once how catalysis works. Chapters 1 and 2 introduce and explain the fundamentals of sustainable chemistry, catalysis, and reaction kinetics. Chapters 3–5 show how these principles are applied in homogeneous, heterogeneous, and biocatalysis. The final chapter covers computer applications in catalysis research, including predictive modelling and data mining.

The book is aimed at senior undergraduate students as well as graduate researchers in chemistry and chemical engineering. Each chapter includes detailed literature references, as well as industrial examples and exercises that embed the knowledge in a practical context. I cite reviews and books when introducing a subject, and articles when discussing specific examples. Chapter 1 also contains a ‘Further Reading’ list of recommended books on specialised subjects. To help you master the catalysis jargon, key terms are printed in bold and defined when they first appear in the text. They are also included in the index.

This second edition is updated with the latest developments in catalysis research. I also added 50 new exercises, following the requests and suggestions of many readers. The free-access website accompanying this book, www.catalysisbook.org, has additional teaching material (lecture slides, hand-outs, and answers to selected exercises) that you’re welcome to download and use.

I thank my wife Live for her patience and support, and my colleagues Francesco Mutti and Gooitzen Zwanenburg for their insightful comments. Thanks also to Itamar Daube, who drew the cover picture, and to the Wiley-VCH editors Gudrun Walter, Elke Maase and Jacqueline Terre. Finally, thanks to all those readers of the first edition who sent in suggestions for improvement. Such emails are always welcome.

As you will see, catalysis is one of the most exciting and fun subjects in chemistry. Hopefully you will share some of my enthusiasm and fascination after reading this book.

Amsterdam, April 2017

Gadi Rothenberg