Author: Manfred Baerns
Publisher: World Scientific
ISBN: 1848163444
Category : Computers
Languages : en
Pages : 191
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Book Description
The book provides a comprehensive treatment of combinatorial development of heterogeneous catalysts. In particular, two computer-aided approaches that have played a key role in combinatorial catalysis and high-throughput experimentation during the last decade OCo evolutionary optimization and artificial neural networks OCo are described. The book is unique in that it describes evolutionary optimization in a broader context of methods of searching for optimal catalytic materials, including statistical design of experiments, as well as presents neural networks in a broader context of data analysis. It is the first book that demystifies the attractiveness of artificial neural networks, explaining its rational fundamental OCo their universal approximation capability. At the same time, it shows the limitations of that capability and describes two methods for how it can be improved. The book is also the first that presents two other important topics pertaining to evolutionary optimization and artificial neural networks: automatic generating of problem-tailored genetic algorithms, and tuning evolutionary algorithms with neural networks. Both are not only theoretically explained, but also well illustrated through detailed case studies. Sample Chapter(s). Chapter 1: Background of Combinatorial Catalyst Development (63 KB). Contents: Background of Combinatorial Catalyst Development (M Baerns); Approaches in the Development of Heterogeneous Catalysts (M Baerns); Mathematical Methods of Searching for Optimal Catalytic Materials (M Holena); Generating Problem-Tailored Genetic Algorithms for Catalyst Search (M Holena); Analysis and Mining of Data Collected in Catalytic Experiments (M Holena); Artificial Neural Networks in the Development of Catalytic Materials (M Holena); Tunning Evolutionary Algorithms with Artificial Neural Networks (M Holena); Improving Neural Network Approximations (M Holena); Applications of Combinatorial Catalyst Development and An Outlook on Future Work (M Baerns). Readership: Chemists and chemical engineers from academia and industry working in catalysis; materials scientists; graduate students dealing with catalytic chemistry interested in computer-aided methods.
Author: Manfred Baerns
Publisher: World Scientific
ISBN: 1908978538
Category : Computers
Languages : en
Pages : 191
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Book Description
The book provides a comprehensive treatment of combinatorial development of heterogeneous catalysts. In particular, two computer-aided approaches that have played a key role in combinatorial catalysis and high-throughput experimentation during the last decade — evolutionary optimization and artificial neural networks — are described. The book is unique in that it describes evolutionary optimization in a broader context of methods of searching for optimal catalytic materials, including statistical design of experiments, as well as presents neural networks in a broader context of data analysis. It is the first book that demystifies the attractiveness of artificial neural networks, explaining its rational fundamental — their universal approximation capability. At the same time, it shows the limitations of that capability and describes two methods for how it can be improved. The book is also the first that presents two other important topics pertaining to evolutionary optimization and artificial neural networks: automatic generating of problem-tailored genetic algorithms, and tuning evolutionary algorithms with neural networks. Both are not only theoretically explained, but also well illustrated through detailed case studies./a
Author: E.G. Derouane
Publisher: Springer Science & Business Media
ISBN: 9401143293
Category : Science
Languages : en
Pages : 497
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Book Description
Catalysts are central in modern industrial chemistry and there is an urgent need to develop new catalysts. Such a rapid pace of development brings with it a new set of challenges at all levels of research, from synthesis and characterization to testing and modelling. This book reviews the current status of combinatorial catalysis, scientific catalyst design techniques, methods for preparing inorganic combinatorial libraries, experimental design methods, data processing, system modelling an simulation, and catalyst testing. The individual contributions reveal the development of high throughput catalyst design and test methods and identify the main challenges in the field, including new catalyst preparation techniques, rapid performance evaluation, and new microreactor configurations. Readership: All those working in catalytic process analysis and development. The extensive review of catalysis principles is especially relevant for postgraduate students seeking to pursue studies in catalysis.
Author: Alfred Hagemeyer
Publisher: Bentham Science Publishers
ISBN: 1608058727
Category : Science
Languages : en
Pages : 404
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Book Description
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 include topics such as 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. Readers will also find 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 feedstocks is also presented. The steadily improving high throughput workflows are today 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 topics presented in this eBook have been contributed by researchers from academia as well as industry, making this eBook a well-balanced reference, which could be of particular interest to professional, industrial or service R&D labs.
Author: Radislav A. Potyrailo
Publisher: CRC Press
ISBN: 9780849336690
Category : Science
Languages : en
Pages : 473
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Book Description
The development of parallel synthesis and high-throughput characterization tools offer scientists a time-efficient and cost-effective solution for accelerating traditional synthesis processes and developing the structure-property relationships of multiple materials under variable conditions. Written by renowned contributors to the field, Combinatorial and High-Throughput Discovery and Optimization of Catalysts and Materials documents the impact of combinatorial methods for inorganic, organic, polymeric, and biological materials applications over the last several years. This valuable reference describes techniques for the preparation, formulation, fabrication, optimization, performance testing, and evaluation of catalysts, polymeric materials arrays, sensing materials, fuel cell battery and memory materials, semiconductor nanoclusters, dielectrics, OLED arrays, additives, organic coatings, luminescent materials, and phosphors. The book introduces some of the latest features in the development of combinatorial and high throughput workflows, including new library designs, the scale-up of combinatorially discovered materials, and innovative methods of data storage, data mining and informatics. It also points to active research in the development of intelligent software for data mining including multiparameter modeling and visualization. As combinatorial materials science becomes increasingly applicable to a growing number of materials and problems, Combinatorial and High-Throughput Discovery and Optimization of Catalysts and Materials provides an essential portrait of the success, challenges, and opportunities in this field for the next generation of combinatorial chemists, material scientists, and industrial chemists and academics.
Author: Klaus Wandelt
Publisher: John Wiley & Sons
ISBN: 3527413812
Category : Science
Languages : en
Pages : 990
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Book Description
In ten volumes, this unique handbook covers all fundamental aspects of surface and interface science and offers a comprehensive overview of this research area for scientists working in the field, as well as an introduction for newcomers. Volume 1: Concepts and Methods Volume 2: Properties of Elemental Surfaces Volume 3: Properties of Composite Surfaces: Alloys, Compounds, Semiconductors Volume 4: Solid-Solid Interfaces and Thin Films Volume 5: Solid-Gas Interfaces I Volume 6: Solid-Gas Interfaces II Volume 7: Liquid and Biological Interfaces Volume 8: Interfacial Electrochemistry Volume 9: Applications of Surface Science I Volume 10: Applications of Surface Science II Content of Volumes 8 & 9: * Surface Analytics with X-Ray Photoelectron and Auger Electron Spectroscopy on Coated Steel Sheets * Applications of Graphene * Industrial Heterogeneous Catalysis * Automotive Catalysis * High-Throughput Heterogeneous Catalyst Research, Development, Scale-Up, and Production Support * Industrial Separation of Insulating Particles: Triboelectric Charging * Friction: Friend and Foe * Surface Science and Flotation * Application of Surface Science to Corrosion * Electrons, Electrodes, and the Transformation of Organic Molecules * Self-Cleaning Surfaces: From Fundamental Aspect to Real Technical Applications * Thin Films: Sputtering, PVD Methods and Applications * Wafer Bonding * Superconformal Deposition * Spintronics: Surface and Interface Aspects * Device Efficiency of Organic Light-Emitting Diodes * Dye-Sensitized Solar Cells * Electronic Nose: Current Status and Future Trends * Surface Science in Batteries * Surface and Interface Science in Fuel Cells Research
Author: Khalid Al-Begain
Publisher: Springer Science & Business Media
ISBN: 3642135676
Category : Computers
Languages : en
Pages : 419
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Book Description
This book constitutes the refereed proceedings of the 17th International Conference on Analytical and Stochastic Modeling Techniques and Applications, ASMTA 2010, held in Cardiff, UK, in June 2010. The 28 revised full papers presented were carefully reviewed and selected from numerous submissions for inclusion in the book. The papers are organized in topical sections on queueing theory, specification languages and tools, telecommunication systems, estimation, prediction, and stochastic modelling.
Author: Jacques Simonet
Publisher: World Scientific
ISBN: 1786342456
Category : Science
Languages : en
Pages : 449
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Book Description
This book documents Professor Jacques Simonet's contribution to building new electrode materials and their related catalytic reactions. Research includes synthesis of new alloys of palladium, discovery of new composite electrodes (including gold- and silver-graphene) and the creation of new materials through judicious cathodic or anodic doping. Additionally, studies demonstrate the malleability and reactivity of previously unused precious and semi-precious metals for the creation of 2D and 3D catalytic materials. Studies key to innovative research show how transition metals may reversibly cathodically insert small size electro-active molecules such as CO2 and O2, and be applied to methods of depollution brought by carbon and nitrogen oxides.Written for practical use, Simonet has provided both theory and tools needed for those aiming to recreate and develop his experiments in electrochemical catalysis and surface modifications. This full publication of research gives graduate and post-graduate students of chemistry, electrochemistry and catalysis an in-depth insight into key historical and modern developments in the field.
Author: Jose M Palomo
Publisher: World Scientific
ISBN: 1786349639
Category : Science
Languages : en
Pages : 350
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Book Description
Iron Catalysis: Design and Applications is an exciting new book that takes readers inside the world of iron catalysis guided by international catalysis expert, Dr Jose M Palomo. Iron is the most abundant metal in the planet, cost-effective, environmentally friendly, with an easily manipulated remediation process. In the last few years the use of this nonprecious metal has gained extraordinary attention particularly for its potential as a catalyst in different areas. This book compiles a series of chapters describing the most significant advances in the last few years since the design of different iron catalysts and nanocatalysts and iron-containing artificial and natural enzymes. The chapters also cover its application in different areas of interest such as organic synthesis, environmental remediation, enzyme-like activities or the creation of novel types of electrodes for battery design.
Author: Alessandro Trovarelli
Publisher: World Scientific
ISBN: 1848169647
Category : Science
Languages : en
Pages : 909
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Book Description
This book follows the 2002 edition of Catalysis by Ceria and Related Materials, which was the first book entirely devoted to ceria and its catalytic properties. In the ten years since the first edition a massive amount of work has been carried out in the field, and ceria has gained a prominent position in catalysis as one of the most valuable material for several applications. This second edition covers fundamental and applied aspects of the latest advances in ceria-based materials with a special focus on structural, redox and catalytic features. Special emphasis is given to nano-engineered and nano-shaped systems which are a key factor in the predictive and rational design of ceria with novel properties.In addition, the book presents recent advances in emerging and traditional large-scale applications of ceria in catalysis, such as the treatment of emissions from mobile sources (including diesel and gasoline engines). The primary readership includes catalysis and material science researchers from academy and industry and postdoctorate and graduate students in chemistry, chemical engineering and physics.
