High-Throughput Screening in Chemical Catalysis


Book Description

This first comprehensive book on heterogeneous catalysis provides an up-to-date overview of the current status and advances being made in this rapidly growing field. The authors from both academia and industry apply HTS to the discovery and optimization of complex multi-component heterogeneous catalysts and electrocatalysts, while also analyzing its capabilities and limitations. They also include CombiCatalysis, screening and optimization strategies, as well as aspects of electrocatalysis, and make use of various industrial methodologies, such as those of Avantium, H.T.E., Symyx, Sintef and IMM, to demonstrate the various approaches to overcoming the challenges of miniaturization. The text is supported throughout by numerous tables, illustrations, graphs, and photographs of synthesis and reactor equipment, most of them in color. For advanced students, catalytic or solid-state chemists in R&D and engineers specializing in reactor technology, detection schemes and automation.




High-Throughput Screening in Chemical Catalysis


Book Description

In this first book to present every important aspect of this fascinating and developing field, the three editors A. Hagemeyer, P. Strasser and A. F. Volpe Jr. from Symyx Technologies have chosen a perfect mixture of distinguished, international authors from both academia and industry. Each chapter is devoted to a major topic - high-throughput experimentation methodologies, integrated combinatorial synthesis and screening workflow, and applications to chemical catalysts with an emphasis on heterogeneous catalysis, olefin polymerization and electrocatalysis for fuel cells. An indispensable source for everyone working in the field.




Directed Enzyme Evolution


Book Description

Directed evolution comprises two distinct steps that are typically applied in an iterative fashion: (1) generating molecular diversity and (2) finding among the ensemble of mutant sequences those proteins that perform the desired fu- tion according to the specified criteria. In many ways, the second step is the most challenging. No matter how cleverly designed or diverse the starting library, without an effective screening strategy the ability to isolate useful clones is severely diminished. The best screens are (1) high throughput, to increase the likelihood that useful clones will be found; (2) sufficiently sen- tive (i. e. , good signal to noise) to allow the isolation of lower activity clones early in evolution; (3) sufficiently reproducible to allow one to find small improvements; (4) robust, which means that the signal afforded by active clones is not dependent on difficult-to-control environmental variables; and, most importantly, (5) sensitive to the desired function. Regarding this last point, almost anyone who has attempted a directed evolution experiment has learned firsthand the truth of the dictum “you get what you screen for. ” The protocols in Directed Enzyme Evolution describe a series of detailed p- cedures of proven utility for directed evolution purposes. The volume begins with several selection strategies for enzyme evolution and continues with assay methods that can be used to screen enzyme libraries. Genetic selections offer the advantage that functional proteins can be isolated from very large libraries s- ply by growing a population of cells under selective conditions.




Molecular Water Oxidation Catalysis


Book Description

Photocatalytic water splitting is a promising strategy for capturing energy from the sun by coupling light harvesting and the oxidation of water, in order to create clean hydrogen fuel. Thus a deep knowledge of the water oxidation catalysis field is essential to be able to come up with useful energy conversion devices based on sunlight and water splitting. Molecular Water Oxidation Catalysis: A Key Topic for New Sustainable Energy Conversion Schemes presents a comprehensive and state-of-the-art overview of water oxidation catalysis in homogeneous phase, describing in detail the most important catalysts discovered today based on first and second row transition metals. A strong emphasis is placed on the description of their performance, as well as how they work from a mechanistic perspective. In addition, a theoretical description of some of the most relevant catalysts based on DFT are presented, as well as a description of related natural systems, such as the oxygen evolving system of photosystem II and the heme chlorite-dismutase. This book is a valuable resource for researchers working on water oxidation catalysis, solar energy conversion and artificial photosynthesis, as well as for chemists and materials scientists with a broad interest in new sustainable energy conversion schemes.




Heterogeneous Catalysts


Book Description

Presents state-of-the-art knowledge of heterogeneous catalysts including new applications in energy and environmental fields This book focuses on emerging techniques in heterogeneous catalysis, from new methodology for catalysts design and synthesis, surface studies and operando spectroscopies, ab initio techniques, to critical catalytic systems as relevant to energy and the environment. It provides the vision of addressing the foreseeable knowledge gap unfilled by classical knowledge in the field. Heterogeneous Catalysts: Advanced Design, Characterization and Applications begins with an overview on the evolution in catalysts synthesis and introduces readers to facets engineering on catalysts; electrochemical synthesis of nanostructured catalytic thin films; and bandgap engineering of semiconductor photocatalysts. Next, it examines how we are gaining a more precise understanding of catalytic events and materials under working conditions. It covers bridging pressure gap in surface catalytic studies; tomography in catalysts design; and resolving catalyst performance at nanoscale via fluorescence microscopy. Quantum approaches to predicting molecular reactions on catalytic surfaces follows that, along with chapters on Density Functional Theory in heterogeneous catalysis; first principles simulation of electrified interfaces in electrochemistry; and high-throughput computational design of novel catalytic materials. The book also discusses embracing the energy and environmental challenges of the 21st century through heterogeneous catalysis and much more. Presents recent developments in heterogeneous catalysis with emphasis on new fundamentals and emerging techniques Offers a comprehensive look at the important aspects of heterogeneous catalysis Provides an applications-oriented, bottoms-up approach to a high-interest subject that plays a vital role in industry and is widely applied in areas related to energy and environment Heterogeneous Catalysts: Advanced Design, Characterization and Applications is an important book for catalytic chemists, materials scientists, surface chemists, physical chemists, inorganic chemists, chemical engineers, and other professionals working in the chemical industry.




Combinatorial Materials Synthesis


Book Description

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.




Modern Applications of High Throughput R&D in Heterogeneous Catalysis


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.




Combinatorial Methods for Chemical and Biological Sensors


Book Description

Chemical sensors are in high demand for applications as varied as water pollution detection, medical diagnostics, and battlefield air analysis. Designing the next generation of sensors requires an interdisciplinary approach. The book provides a critical analysis of new opportunities in sensor materials research that have been opened up with the use of combinatorial and high-throughput technologies, with emphasis on experimental techniques. For a view of component selection with a more computational perspective, readers may refer to the complementary volume of Integrated Analytical Systems edited by M. Ryan et al., entitled “Computational Methods for Sensor Material Selection”.




Materials for Sustainable Energy


Book Description

The search for cleaner, cheaper, smaller and more efficient energy technologies has to a large extent been motivated by the development of new materials. The aim of this collection of articles is therefore to focus on what materials-based solutions can offer and show how the rationale design and improvement of their physical and chemical properties can lead to energy-production alternatives that have the potential to compete with existing technologies. In terms of alternative means to generate electricity that utilize renewable energy sources, the most dramatic breakthroughs for both mobile (i.e., transportation) and stationary applications are taking place in the fields of solar and fuel cells. And from an energy-storage perspective, exciting developments can be seen emerging from the fields of rechargeable batteries and hydrogen storage.




Computational Catalysis


Book Description

This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis.