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.

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.

This complete, yet concise, guide introduces you to the rapidly developing field of high throughput screening of biomaterials: materiomics. Bringing together the key concepts and methodologies used to determine biomaterial properties, you will understand the adaptation and application of materomics in areas such as rapid prototyping, lithography and combinatorial chemistry. Each chapter is written by internationally renowned experts, and includes tutorial paragraphs on topics such as biomaterial-banking, imaging, assay development, translational aspects, and informatics. Case studies of state-of-the-art experiments provide illustrative examples, whilst lists of key publications allow you to easily read up on the most relevant background material. Whether you are a professional scientist in industry, a student or a researcher, this book is not to be missed if you are interested in the latest developments in biomaterials research.

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.

Solid catalysts play a fundamental role in all areas between basic research and industrial applications. This book offers a large amount of information about the preparation of solid catalysts. All types of solid catalysts and all important aspects of their preparation are discussed. The highly topical contributions are written by leading experts in disciplines ranging from solid state, interface and solution chemistry to industrial engineering. The straightforward presentation of the material and the comprehensive coverage make this book an essential and indispensible tool for every scientist and engineer working with solid catalysts.

With contributions from experts in supported metal catalysis, from both the industry and academia, this book presents the latest developments in characterization and application of supported metals in heterogeneous catalysis. In addition to a thorough and updated coverage of the traditional aspects of heterogeneous catalysis such as preparation, characterization and use in well-established technologies such as Naphtha reforming, the book also includes emerging areas where supported metal catalysis will make significant contributions in future developments, such as fuel cells and fine chemicals synthesis. The second edition of Supported Metals in Catalysis comes complete with new and updated chapters containing important summaries of research in a rapidly evolving field. Very few other books deal with this highly pertinent subject matter, and as such, it is a must-have for anyone working in the field of heterogeneous catalysis.

(Selected) -- Plenary Lecures: New Catalysts for Controlled/Living Atom Transfer Radical Polymerization (ATRP; Catalysis and Applications of Gold Nanoparticles -- Oral Presentations: Ionic Liquids as New Solvents and Catalysis for Petrochemical and Refining Processes; High Throughput Experiment on the Investigation of Oxidation Catalysts with Gas Sensor System -- Poster Presentations: Development of a Low-Temperature Dioxin Decomposition Catalyst; Studies on Unique Properties of Polyolefins Prepared with Metallocene Catalyst Systems -- Index.

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.

The need to improve both the efficiency and environmental acceptability of industrial processes is driving the development of heterogeneous catalysts across the chemical industry, including commodity, specialty and fine chemicals and in pharmaceuticals and agrochemicals. Drawing on international research, Supported Catalysts and their Applications discusses aspects of the design, synthesis and application of solid supported reagents and catalysts, including supported reagents for multi-step organic synthesis; selectivity in oxidation catalysis; mesoporous molecular sieve catalysts; and the use of Zeolite Beta in organic reactions. In addition, the two discrete areas of heterogeneous catalysis (inorganic oxide materials and polymer-based catalysts) that were developing in parallel are now shown to be converging, which will be of great benefit to the whole field. Providing a snapshot of the state-of-the-art in this fast-moving field, this book will be welcomed by industrialists and researchers, particularly in the agrochemicals and pharmaceuticals industries.

Pioneered by the pharmaceutical industry and adapted for the purposes of materials science and engineering, the combinatorial method is now widely considered a watershed in the accelerated discovery, development, and optimization of new materials. Combinatorial Materials Synthesis reveals the gears behind combinatorial materials chemistry and thin-film technology, and discusses the prime techniques involved in synthesis and property determination for experimentation with a variety of materials. Funneling historic innovations into one source, the book explores core approaches to synthesis and rapid characterization techniques for work with combinatorial materials libraries.