Combinatorial Development Of Solid Catalytic Materials

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.

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.

Heterogeneous Catalytic Materials discusses experimental methods and the latest developments in three areas of research: heterogeneous catalysis; surface chemistry; and the chemistry of catalysts. Catalytic materials are those solids that allow the chemical reaction to occur efficiently and cost-effectively. This book provides you with all necessary information to synthesize, characterize, and relate the properties of a catalyst to its behavior, enabling you to select the appropriate catalyst for the process and reactor system. Oxides (used both as catalysts and as supports for catalysts), mixed and complex oxides and salts, halides, sulfides, carbides, and unsupported and supported metals are all considered. The book encompasses applications in industrial chemistry, refinery, petrochemistry, biomass conversion, energy production, and environmental protection technologies. Provides a systematic and clear approach of the synthesis, solid state chemistry and surface chemistry of all solid state catalysts Covers widely used instrumental techniques for catalyst characterization, such as x-ray photoelectron spectroscopy, scanning electron microscopy, and more Includes characterization methods and lists all catalytic behavior of the solid state catalysts Discusses new developments in nanocatalysts and their advantages over conventional catalysts

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, Combina

High throughput experimentation has met great success in drug design but it has, so far, been scarcely used in the field ofcatalysis. We present in this book the outcome of a NATO ASI meeting that was held in Vilamoura, Portugal, between July 15 and 28, 2001, with the objective of delineating and consolidating the principles and methods underpinning accelerated catalyst design, evaluation, and development. There is a need to make the underlying principles of this new methodology more widely understood and to make it available in a coherent and integrated format. The latter objective is particularly important to the young scientists who will constitute the new catalysis researchers generation. Indeed, this field which is at the frontier offundamental science and may be a renaissance for catalysis, is one which is much more complex than classical catalysis itself. It implies a close collaboration between scientists from many disciplines (chemistry, physics, chemical and mechanical engineering, automation, robotics, and scientific computing in general). In addition, this emerging area of science is also of paramount industrial importance, as progress in this area would collapse the time necessary to discover new catalysts or improve existing ones.

The subject of advanced materials in catalysisbrings together recent advancements in materials synthesis and technologies to the design of novel and smart catalysts used in the field of catalysis. Nanomaterials in general show an important role in chemical processing as adsorbents, catalysts, catalyst supports and membranes, and form the basis of cutting-edge technology because of their unique structural and surface properties. Advanced Catalytic Materials is written by a distinguished group of contributors and the chapters provide comprehensive coverage of the current literature, up-to-date overviews of all aspects of advanced materials in catalysis, and present the skills needed for designing and synthesizing advanced materials. The book also showcases many topics concerning the fast-developing area of materials for catalysis and their emerging applications. The book is divided into three parts: Nanocatalysts – Architecture and Design; Organic and Inorganic Catalytic Transformations; and Functional Catalysis: Fundamentals and Applications. Specifically, the chapters discuss the following subjects: Environmental applications of multifunctional nanocomposite catalytic materials Transformation of nanostructured functional precursors using soft chemistry Graphenes in heterogeneous catalysis Gold nanoparticles-graphene composites material for catalytic application Hydrogen generation from chemical hydrides Ring-opening polymerization of poly(lactic acid) Catalytic performance of metal alkoxides Cycloaddition of CO2 and epoxides over reusable solid catalysts Biomass derived fine chemicals using catalytic metal bio-composites Homoleptic metal carbonyls in organic transformation Zeolites: smart materials for novel, efficient, and versatile catalysis Optimizing zeolitic catalysis for environmental remediation

Successful industrial heterogeneous catalysts fulfill several key require ments: in addition to high catalytic activity for the desired reaction, with high selectivity where appropriate, they also have an acceptable commercial life and are rugged enough for transportation and charging into plant reactors. Additional requirements include the need to come online smoothly in a short time and reproducible manufacturing procedures that involve convenient processes at acceptable cost. The development of heterogeneous catalysts that meet these (often mutually exclusive) demands is far from straightforward, and in addition much of the actual manufacturing tech nology is kept secret for commercial reasons-thus there is no modern text that deals with the whole of this important subject. Principles of Catalyst Development, which deals comprehensively with the design, development, and manufacture of practical heterogeneous catalysts, is therefore especially valuable in meeting the long-standing needs of both industrialists and academics. As one who has worked extensively on a variety of catalyst development problems in both industry and academia, James T. Richardson is well placed to write an authoritative book covering both the theory and the practice of catalyst development. Much of the material contained in this book had its origin in a series of widely acclaimed lectures, attended mainly by industrial researchers, given over many years in the United States and Europe. All those in industry who work with catalysts, both beginners and those of considerable experience, should find this volume an essential guide.