Modern Applications of High Throughput R&D in Heterogeneous Catalysis


by

Alfred Hagemeyer, Anthony F. Volpe

DOI: 10.2174/97816080587231140101
eISBN: 978-1-60805-872-3, 2014
ISBN: 978-1-60805-873-0



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Catalysts are critical for the production of chemical products, being used in vast majority of processes worldwide. Moreover, many ind...[view complete introduction]

Table of Contents

About the Editors

- Pp. i-iii (3)

Alfred Hagemeyer and Anthony F. Volpe

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Foreword

- Pp. iv-vi (3)

Wilhelm F. Maier

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Preface

- Pp. vii-viii (2)

Alfred Hagemeyer and Anthony F. Volpe

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List of Contributors

- Pp. ix-xvii (9)

Alfred Hagemeyer and Anthony F. Volpe

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High Throughput Experimentation Applied in the Field of Technical Catalysis: Past, Present, Future

- Pp. 3-88 (86)

Cornelia Futter, Luis T. Alvarado Rupflin, Nadine Brem, Ringo Födisch, Alfred Haas, Armin Lange de Oliveira, Michael L. Lejkowski, Andreas Müller, Andreas Sundermann, Sven Titlbach, Sven K. Weber and Stephan A. Schunk

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Discovery and Optimization of Coking and Sulfur Resistant Bi- Metallic Catalyst for Cracking JP-8: From Thin Film Libraries to Single Powders

- Pp. 89-117 (29)

Jochen Lauterbach, Erdem Sasmaz, John Bedenbaugh, Sungtak Kim and Jason Hattrick-Simpers

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Parallel Fixed Bed Microreactors for High-Throughput Screening with Special Focus on High Corrosion Resistance and New Deacon Catalysts for Chlorine Production

- Pp. 118-172 (55)

Klaus Stöwe, Markus Hammes, Martin Valtchev, Marion Roth and Wilhelm F. Maier

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Heterogeneous Catalysis High Throughput Workflow: A Case Study Involving Propane Oxidative Dehydrogenation

- Pp. 173-196 (24)

Hirokazu Shibata, Mark McAdon, Rick Schroden, Garry Meima, Adam Chojecki, Peter Catry and Billy Bardin

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Realistic Catalyst Testing in High-Throughput Parallel Small- Scale Reactor Systems

- Pp. 197-226 (30)

Jan C. van der Waal, Erik-Jan Ras, C. Martin Lok, Roel Moonen and Nelleke van der Puil

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Interrogative Kinetics: A New Methodology for Kinetic Mapping of Emergent Catalytic Properties

- Pp. 227-256 (30)

Rebecca Fushimi, John Gleaves and Gregory Yablonsky

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Application of Parallel Characterization Methods in High- Throughput Catalyst Preparation and Development

- Pp. 257-287 (31)

Uwe Rodemerck, Evgenii Kondratenko, Martin J.G. Fait, Sergey Sokolov and David Linke

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Application of High Throughput Experimentation to the Production of Commodity Chemicals from Renewable Feedstocks

- Pp. 288-309 (22)

Gary M. Diamond, Vince Murphy and Thomas R. Boussie

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Global Challenges in Chemicals and Energies - Standardization and Acceleration of Catalysis R & D

- Pp. 310-316 (7)

Michael Schneider, Ben Alston, Sean Higgins, Hywel Davies, Andrew Creeth, Richard J. Nichols, Andrew I. Cooper, Franck Dumeignil, Lionel Montagne, Rénato Froidevaux, Svetlana Heyte, Sébastien Junwen, Jia Xiaomei, Sun Min, Mu Xuhong, Wolfgang Kleist and Jan-Dierk Grunwaldt

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9.1: Development of Platinum-Free Catalysts for PEM Fuel Cell Technology

- Pp. 317-326 (10)

Ben Alston, Sean Higgins, Hywel Davies, Andrew Creeth, Richard J. Nichols and Andrew I. Cooper

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9.2: A Novel Integrated High-Throughput Approach for Catalytic Reactions Development: The REALCAT Concept

- Pp. 327-340 (14)

Franck Dumeignil, Lionel Montagne, Rénato Froidevaux, Svetlana Heyte and Sébastien Paul

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9.3: Parallel Hydrogenation Experiments in the Fine Chemicals Industry

- Pp. 341-351 (11)

Werner Bonrath and Jonathan Medlock

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9.4: High-Output Zeolite Synthesis – Reproducibility, Scalability, Raw Material Mapping

- Pp. 352-356 (5)

Wang Yongrui, Chen Junwen, Jia Xiaomei, Sun Min and Mu Xuhong

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9.5: High Output Catalyst Development in Heterogeneous Gas Phase Catalysis

- Pp. 357-371 (15)

Wolfgang Kleist and Jan-Dierk Grunwaldt

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Index

- Pp. 372-383 (12)

Alfred Hagemeyer and Anthony F. Volpe

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Foreword

Heterogeneous catalysis is not only the backbone of most processes in chemical production, it is also essential for most environmental technologies. Its importance for electrochemical processes and energy related chemistry has just been recognized. Heterogeneous catalysts have several advantages: they are easy to recover, do not tend to pollute the products and often have long lifetimes or can be recycled. Heterogeneous catalysts are extremely complex materials whose catalytic activity is determined by chemical composition, microstructure and transport phenomena, such as metal dispersion, metal loading, phase composition, oxidation state, dopants and modifiers, the support interface, porosity, pore size, nature of the support, surface polarity of active centres and supports, reactions kinetics, mass transport kinetics, gas diffusion, pore diffusion and others. To precisely analyse these properties and relate their importance to the catalytic reaction are time consuming, expensive and extremely challenging. Due to this complexity, the detailed understanding of heterogeneous catalysis is still limited and the subject of scientific studies at the highest levels. Studies of heterogeneous catalysts are demanding and often even the most sophisticated equipment cannot provide the detailed scientific answers expected by researchers.

Clearly, economic process development cannot wait for such detailed understanding and the diversity of potentially important parameters as well as the huge search and parameter spaces have principally rendered the conventional one experiment at a time approach obsolete for serious catalyst discovery. Over the last 2 decades combinatorial and high throughput technologies (HTT) have evolved rapidly from critically regarded curiosities to standard technologies used increasingly in industrial laboratories. In contrast to Bio and Pharma, where HTT are established tools for HT screening, in catalysis and materials research HTT have been developed to accelerate synthesis, characterization, optimization of reaction conditions, scale-up and fine tuning to a level of high quality never expected in the past. Nevertheless, due to reduced data precision and reliability of many high throughput technologies, traditional catalysis research is still important and far from being replaced, especially for improvement of state-of-the-art production catalysts. There are only a few laboratories or specialized companies which have been able to develop HTT which produce data quality comparable to traditional research.

HTT face a general problem, that of cost and complexity and the growing demand for high precision data, which makes it increasingly difficult to be used in small and medium sized companies as well as in academia. Most large companies have long-established well-equipped high throughput laboratories that usually serve R&D or production on a contract basis. These general trends are reflected by the chapters in this book, which has fewer contributions from academic laboratories, while detailed reports from a broad variety of industrial HT laboratories provide an interesting view into their diversity of applied R&D activities related to heterogeneous catalysis. The book starts with an overview by hte-AG on the nature and state of HT experimentation in catalysis and process development, contrasting its screening nature in pharma applications. Next, the University of South Carolina reports catalyst development for cracking of Diesel to LPG on-demand as a means to simplify fuel transportation. Saarland University presents applications of parallel microreactors in highly corrosive catalysis applications. From DOW, the methodology of their new sophisticated workflow for high throughput research is illustrated with a case study on oxidative propane dehydrogenation, which includes DOE, catalyst development and reactivity screening. Engineering concepts of the Flowrence parallel small-scale reactor system are discussed by a group from Avantium with case studies on FT synthesis, oxidative coupling of methane and hydrotreating. The Langmuir Institute in collaboration with Saint Louis University describes interrogative kinetics, combined with high throughput methodology, which provides kinetic information with dependence on the surface composition of the catalyst. From the Leibnitz Institute in Rostock, development of parallel reactors for catalyst characterization, such as TPR, TPO, TPD and chemical titration, to speed up catalyst preparation and developments is outlined. Adaption of catalytic processes to biorenewable feedstocks is illustrated with a new adipic acid process by a group from Rennovia. The last chapter encompasses several contributions that make use of Chemspeed’s robotic technologies. It also illustrates the slow, but growing acceptance of a versatile commercial HT technology. After an introduction from Chemspeed on the challenges of standardization and acceleration of catalysis research, Liverpool University with ACAL energy reports on catalyst development for fuel cell applications. From Lille University and several collaborators a versatile workflow for development of catalytic reactions is presented, which encompasses homogeneous, heterogeneous and bio-catalysis, HT screening, and rapid characterization and analysis tools. DSM describes their approach to quickly identify optimal catalysts and reaction conditions for selected hydrogenation reactions. Fast and parallel zeolite synthesis is reported from the Sinopec Research Institute in Beijing. A robot-controlled catalyst synthesis platform for heterogeneous gas phase catalysis has been developed at the Karlsruhe Institute of Technology.

As also documented in this book, and in contrast to initial belief, HTT are increasingly used in complex applications. The results of such HT studies, i.e. the search for new catalysts or new materials, are more and more published in journals of the subject of interest. This limits the content of the scientific reports to the subject of interest and renders the high throughput effort with all its complexity and creativity to one of the tools whose scientific details are usually ignored or just abstracted, since not the focus of the specific journal. For the increasing community of scientists using HTT, the subject of HT, such as the development of new screening methods, the use of novel algorithms, acceleration of accompanying analytics or methods for data storage, mining, visualization or knowledge discovery, can only be found in publications of a decreasing number of specialized journals or books, such as this book, edited by A. Hagemeyer and A. Volpe. For HTT in academia and small companies the exchange of experience with other users of HTT is important, therefore HT journals, HT conferences and HT books remain the only platform to maintain such exchanges and I highly encourage especially the Editors of such Journals and books or organizers of such conferences or meetings to continue their efforts.

Wilhelm F. Maier
Technische Chemie
Saarland University
Germany


Preface

Catalysts are critical for the production of chemical products, being used in vast majority of processes worldwide. Moreover, many industrial products employ catalytic step at some point during their manufacturing from raw materials. The effect is that catalysts add efficiency and great value to industry in general, and have the potential to save up to an additional 50 percent of the energy used by the chemical industry by deploying new and/or improve commercial catalysts systems, which would be highly beneficial in reducing the global energy demands of future.

The global catalyst market in 2013 is approximately $15 billion, and catalysts added about $2.4 trillion of value to world economies. Catalytic processes were responsible for about 35 percent of the gross global products in 2011. Notably, the costs of the catalysts themselves are a very small fraction of the value that they create. These statistics highlight the importance of industrial catalysis. With advancements in the fields of Industrial Chemical Catalysis and Green Chemistry, which are covered in this new eBook, it is inevitable that the economic and social impact of catalysis will increase in the coming years. The discovery and optimization of organic and inorganic functional materials, including catalysts in industrial R&D labs, were revolutionized with the advent of high throughput research and development methodologies in the early 1990s. This involved the application of robotic syntheses and the screening of novel inorganic materials utilizing parallel arrays of spatially resolved and individually addressable library elements in (micro-scale) bulk or on two-dimensional surfaces. At the time, these new high throughput screening technologies promised to drastically accelerate innovation and dramatically shorten the development times of new and improved materials and thereby time-to-market. Today, 20 years later, although the early enthusiasm has tempered, high throughput catalyst synthesis and screening tools, software, and workflows have been further developed, automated and hardened, and scientists in both academia and industry are increasingly and in many cases routinely using high throughput techniques in their work. It is the purpose of this new eBook to take an in-depth look at the current status of high-throughput research and development in catalysis now that the field has matured. What has survived two decades after the hype? Which methodologies have become accepted by industrial R&D labs and which have disappeared? What real-world successes followed the early proof-of-principle work on model reactions? Are there modern applications available to industrially relevant and complex reactions today?

This eBook covers the application of high-throughput R&D to both fundamental and applied catalysis including catalyst synthesis, characterization, and testing in various reactor types. Chapters from academia as well as industry make this eBook well-balanced, although somewhat weighted to professional industrial or service R&D labs as pointed out by Prof. Maier in the preface. Included are applications ranging from optimizations of established industrial catalysts to the discovery of innovative new materials, examples of the development of innovative parallel characterization methods, and cases of real catalyst testing in small-scale reactor systems. There are also chapters that cover commodity chemicals produced using continuous gas phase processes as well as fine chemicals produced in liquid phase batch reactors. The potential of industrial chemicals production from biorenewable feedstock is also presented. It is evident that model reactions are now rarely employed, with the steadily improving workflows being applied to relevant reactions and targets such as hydrotreating, Deacon oxidation, Fischer-Tropsch, propane dehydrogenation, C4 oxidation, methane coupling, exhaust gas catalysis, bio-based Nylon, fuel cells and vitamins. The interplay between academia and industry and the need for exchange of experiences among users via specialized journals and books is addressed by the early pioneer Professor Maier in the preface.

Alfred Hagemeyer
Rennovia
Menlo Park, CA
USA

&

Anthony F. Volpe, Jr.
Clariant
Palo Alto, CA
USA

List of Contributors

Editor(s):
Alfred Hagemeyer
Menlo Park
CA
USA


Anthony F. Volpe
Palo Alto
CA
USA




Contributor(s):
Adam Chojecki
Core R&D Inorganic Materials & Heterogeneous Catalysis
Dow Benelux B.V
Terneuzen
The Netherlands


Alfred Haas
hte GmbH, Kurpfalzring 104
Heidelberg, 69123
Germany


Andreas Müller
hte GmbH, Kurpfalzring 104
Heidelberg, 69123
Germany


Andreas Sundermann
hte GmbH, Kurpfalzring 104
Heidelberg, 69123
Germany


Andrew Creeth
ACAL Energy
Runcorn
UK


Andrew I. Cooper
University of Liverpool
Centre for Materials Discovery
Liverpool
UK


Armin Lange de Oliveira
hte GmbH, Kurpfalzring 104
Heidelberg, 69123
Germany


Ben Alston
University of Liverpool
Centre for Materials Discovery
Liverpool
UK


Billy Bardin
Hydrocarbons R&D
The Dow Chemical Company
Freeport
TX
USA


C. Martin Lok
Avantium Chemicals
Zekeringstraat 1014 BV
Amsterdam
The Netherlands


Chen Junwen
Sinopec Research Institute of PetroleumProcessing
Beijing
China


Cornelia Futter
hte GmbH, Kurpfalzring 104
Heidelberg, 69123
Germany


David Linke
Leibniz-Institut für Katalyse an der Universität Rostock e.V.
Albert-Einstein-Strasse 29A
Rostock
D-18059
Germany


Erdem Sasmaz
Smartstate Center for Strategic Approaches to the Generation of Electricity (SAGE)
University of South Carolina
Columbia
SC, 29201
USA


Erik-Jan Ras
Avantium Chemicals
Zekeringstraat 1014 BV
Amsterdam
The Netherlands


Evgenii V. Kondratenko
Leibniz-Institut für Katalyse an der Universität Rostock e.V.
Albert-Einstein-Strasse 29A
Rostock, D-18059
Germany


Franck Dumeignil
Univ. Lille Nord de France
Lille
France
/
Unité de Catalyse et de Chimie du Solide
UCCS (UMR CNRS 8181)
Cité Scientifique
Villeneuve d‘Ascq
France


Garry Meima
Hydrocarbons R&D
Dow Benelux B.V
Terneuzen
The Netherlands


Gary M. Diamond
Rennovia, Inc.
Menlo Park
California
USA


Gregory Yablonsky
Saint Louis University, Parks College of Engineering, Aviation and Technology
Saint Louis
Missouri
USA


Hirokazu Shibata
Core R&D Inorganic Materials & Heterogeneous Catalysis
Dow Benelux B.V
Terneuzen
The Netherlands


Hywel Davies
ACAL Energy
Runcorn
UK


Jan C. van der Waal
Avantium Chemicals
Zekeringstraat 1014 BV
Amsterdam
The Netherlands


Jan-Dierk Grunwaldt
Karlsruhe Institute of Technology (KIT)
Institute for Chemical Technology and Polymer Chemistry (ITCP)
Karlsruhe
Germany
/
Karlsruhe Institute of Technology (KIT)
Institute of Catalysis Research and Technology (IKFT)
Eggenstein-Leopoldshafen
Germany


Jason Hattrick-Simpers
Smartstate Center for Strategic Approaches to the Generation of Electricity (SAGE)
University of South Carolina
Columbia
SC, 29201
USA


Jia Xiaomei
Sinopec Research Institute of Petroleum Processing
Beijing
China


Jochen Lauterbach
Smartstate Center for Strategic Approaches to the Generation of Electricity (SAGE)
University of South Carolina
Columbia
SC, 29201
USA


John Bedenbaugh
Smartstate Center for Strategic Approaches to the Generation of Electricity (SAGE)
University of South Carolina
Columbia
SC, 29201
USA


John Gleaves
Department of Energy, Environmental and Chemical Engineering
Washington University in Saint Louis
Saint Louis
Missouri
USA


Jonathan Medlock
DSM Nutritional Products
Basel
Switzerland


Klaus Stöwe
Technische Chemie
Universität des Saarlandes
Campus C42
Saarbrücken, 66123
Germany


Lionel Montagne
Univ. Lille Nord de France
Lille
France
/
Unité de Catalyse et de Chimie du Solide
UCCS (UMR CNRS 8181)
Cité Scientifique
Villeneuve d‘Ascq
France


Luis T. Alvarado Rupflin
hte GmbH, Kurpfalzring 104
Heidelberg, 69123
Germany


Marion Roth
Technische Chemie
Universität des Saarlandes
Campus C42
Saarbrücken, 66123
Germany


Mark McAdon
Core R&D Inorganic Materials & Heterogeneous Catalysis
The Dow Chemical Company
Midland
MI
USA


Markus Hammes
Technische Chemie
Universität des Saarlandes
Campus C42
Saarbrücken, 66123
Germany


Martin J. G. Fait
Leibniz-Institut für Katalyse an der Universität Rostock e.V.
Albert-Einstein-Strasse 29A
Rostock, D-18059
Germany


Martin Valtchev
Technische Chemie
Universität des Saarlandes
Campus C42
Saarbrücken, 66123
Germany


Michael L. Lejkowski
hte GmbH, Kurpfalzring 104
Heidelberg, 69123
Germany


Michael Schneider
Chemspeed Technologies AG
Augst
Switzerland


Mu Xuhong
Sinopec Research Institute of Petroleum Processing
Beijing
China


Nadine Brem
hte GmbH, Kurpfalzring 104
Heidelberg, 69123
Germany


Nelleke van der Puil
Avantium Chemicals
Zekeringstraat 1014 BV
Amsterdam
The Netherlands


Peter Catry
Information Research
Dow Benelux B.V
Terneuzen
The Netherlands


Rebecca Fushimi
Saint Louis University
Parks College of Engineering, Aviation and Technology
Saint Louis
Missouri
USA
/
The Langmuir Research Institute
Saint Louis
Missouri
USA


Rénato Froidevaux
Univ. Lille Nord de France
Lille
France
/
Laboratoire des Procédés Biologiques
Génie Enzymatique et Microbien,Polytech’Lille
Villeneuve d’Ascq
France


Richard J. Nichols
University of Liverpool
Centre for Materials Discovery
Liverpool
UK


Rick Schroden
Core R&D Inorganic Materials & Heterogeneous Catalysis
The Dow Chemical Company
Midland
MI
USA


Ringo Födisch
hte GmbH, Kurpfalzring 104
Heidelberg, 69123
Germany


Roel Moonen
Avantium Chemicals
Zekeringstraat 1014 BV
Amsterdam
The Netherlands


Sean Higgins
University of Liverpool
Centre for Materials Discovery
Liverpool
UK


Sébastien Paul
Univ. Lille Nord de France
Lille
France
/
Unité de Catalyse et de Chimie du Solide
UCCS (UMR CNRS 8181)
Cité Scientifique
Villeneuve d‘Ascq
France
/
Ecole Centrale de Lille
ECLille
Villeneuve d’Ascq
France


Sergey Sokolov
Leibniz-Institut für Katalyse an der Universität Rostock e.V.
Albert-Einstein-Strasse 29A
Rostock, D-18059
Germany


Stephan A. Schunk
hte GmbH, Kurpfalzring 104
Heidelberg, 69123
Germany


Sun Min
Sinopec Research Institute of Petroleum Processing
Beijing
China


Sungtak Kim
Smartstate Center for Strategic Approaches to the Generation of Electricity (SAGE)
University of South Carolina
Columbia
SC, 29201
USA


Sven K. Weber
hte GmbH, Kurpfalzring 104
Heidelberg, 69123
Germany


Sven Titlbach
hte GmbH, Kurpfalzring 104
Heidelberg, 69123
Germany


Svetlana Heyte
Univ. Lille Nord de France
Lille
France
/
Unité de Catalyse et de Chimie du Solide
UCCS (UMR CNRS 8181)
Cité Scientifique
Villeneuve d‘Ascq
France
/
Ecole Centrale de Lille
ECLille
Villeneuve d’Ascq
France


Thomas R. Boussie
Rennovia, Inc
Menlo Park
California
USA


Uwe Rodemerck
Leibniz-Institut für Katalyse an der Universität Rostock e.V
Albert-Einstein-Strasse 29A
Rostock, D-18059
Germany


Vince Murphy
Rennovia, Inc
Menlo Park
California
USA


Wang Yongrui
Sinopec Research Institute of Petroleum Processing
Beijing
China


Werner Bonrath
DSM Nutritional Products
Basel
Switzerland


Wilhelm F. Maier
Technische Chemie, Universität des Saarlandes
Campus C42
Saarbrücken, 66123
Germany


Wolfgang Kleist
Karlsruhe Institute of Technology (KIT)
Institute for Chemical Technology and Polymer Chemistry (ITCP)
Karlsruhe
Germany
/
Karlsruhe Institute of Technology (KIT)
Institute of Catalysis Research and Technology (IKFT)
Eggenstein-Leopoldshafen
Germany




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