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Author: Saeed Sahebdelfar Publisher: CRC Press ISBN: 1000593649 Category : Science Languages : en Pages : 286
Book Description
Volatility of crude oil prices, depleting reservoirs and environmental concerns have stimulated worldwide research for alternative and sustainable sources of raw materials for chemicals and fuels. The idea of using single-carbon atom molecules as chemical building blocks is not new, and many such compounds have been techno-economically studied as raw materials for fuels. Nevertheless, unifying the scientific and technical issues under the topic of C1 chemistry is not as easy as it may appear. C1 Chemistry: Principles and Processes provides a comprehensive understanding of the chemical transformation from molecular to commercial plant scales and reviews the sources of C1 molecules, their conversion processes and the most recent achievements and research needs. This book: Describes the latest processes developments and introduces commercial technologies Covers a wide range of feedstocks, including greenhouse gases and organic wastes Details chemistry, thermodynamics, catalysis, kinetics and reactors for respective conversions Includes preparation and purification of C1 feedstocks, C1 molecule coupling reactions and process technologies for each C1 conversion reaction Considers environmental impacts and sustainability This book will be of interest to a wide range of researchers, academics, professionals and advanced students working in the chemical, environmental and energy sectors and offers readers insights into the challenges and opportunities in the active field of C1 chemistry.
Author: Saeed Sahebdelfar Publisher: CRC Press ISBN: 1000593649 Category : Science Languages : en Pages : 286
Book Description
Volatility of crude oil prices, depleting reservoirs and environmental concerns have stimulated worldwide research for alternative and sustainable sources of raw materials for chemicals and fuels. The idea of using single-carbon atom molecules as chemical building blocks is not new, and many such compounds have been techno-economically studied as raw materials for fuels. Nevertheless, unifying the scientific and technical issues under the topic of C1 chemistry is not as easy as it may appear. C1 Chemistry: Principles and Processes provides a comprehensive understanding of the chemical transformation from molecular to commercial plant scales and reviews the sources of C1 molecules, their conversion processes and the most recent achievements and research needs. This book: Describes the latest processes developments and introduces commercial technologies Covers a wide range of feedstocks, including greenhouse gases and organic wastes Details chemistry, thermodynamics, catalysis, kinetics and reactors for respective conversions Includes preparation and purification of C1 feedstocks, C1 molecule coupling reactions and process technologies for each C1 conversion reaction Considers environmental impacts and sustainability This book will be of interest to a wide range of researchers, academics, professionals and advanced students working in the chemical, environmental and energy sectors and offers readers insights into the challenges and opportunities in the active field of C1 chemistry.
Author: Jens K. Nørskov Publisher: John Wiley & Sons ISBN: 1118888952 Category : Technology & Engineering Languages : en Pages : 228
Book Description
This book is based on a graduate course and suitable as a primer for any newcomer to the field, this book is a detailed introduction to the experimental and computational methods that are used to study how solid surfaces act as catalysts. Features include: First comprehensive description of modern theory of heterogeneous catalysis Basis for understanding and designing experiments in the field Allows reader to understand catalyst design principles Introduction to important elements of energy transformation technology Test driven at Stanford University over several semesters
Author: Pascal Granger Publisher: MDPI ISBN: 303921179X Category : Technology & Engineering Languages : en Pages : 214
Book Description
Kinetics and reactor modeling for heterogeneous catalytic reactions are prominent tools for investigating and understanding catalyst functionalities at nanoscale and the related rates of complex reaction networks. This book illustrates some examples related to the transformation of simple to more complex feedstocks, including different types of reactor designs, i.e., steady-state, transient plug flow reactors, and TAP reactors for which there is sometimes a strong gap in the operating conditions from ultra-high-vacuum to high-pressure conditions. In conjunction, new methodologies have emerged, giving rise to more robust microkinetics models. As exemplified, they include the kinetics and the dynamics of the reactors and span a large range of length and time scales. The objective of this Special Issue is to provide contributions that can illustrate recent advances and novel methodologies for elucidating the kinetics of heterogeneous reactions and the necessary multiscale approach for optimizing the reactor design. This book is dedicated to postgraduate and scientific researchers, and experts in heterogeneous catalysis. It may also serve as a source of original information for the elaboration of lessons on catalysis for Master students.
Author: Pedro J. Pérez Publisher: Springer Science & Business Media ISBN: 9048136989 Category : Science Languages : en Pages : 277
Book Description
Over the past decade, much research effort has been devoted to the design and synthesis of new reagents and catalysts that can influence carbon-hydrogen bond activation, mainly because of the prospect that C−H activation could enable the conversion of cheap and abundant alkanes into valuable functionalized organic compounds. Alkane C-H Activation by Single-Site Metal Catalysis presents the current state-of-the-art development in the catalytic systems for the catalytic trans-formations of alkanes under homogeneous conditions. Chapter 1 offers a comprehensive summary of the main discoveries realized so far. Chapter 2 reviews the so-called electrophilic activation, initiated by Shulpín in the late 60s, and the base for the Catalytica system. Chapter 3 examines the catalytic borylation of alkanes, discovered by Hartwig, whereas chapter 4 provides an updated vision of the alkane dehydrogenation reaction. Chapter 5 covers the oxygenation of C-H bonds, a field of enormous interest with bioinorganic im-plications, and finally chapter 6 presents the functionalization of alkane C-H bonds by carbene or nitrene insertion. The history of C-H bond activation, and the current research described in this book, highlight the current research and present the reader with an outlook of this field which continues to be explored by an increasingly visionary and enthusiastic group of organic, organometallic, biological and physical chemists.
Author: Jacques C. Vedrine Publisher: Elsevier ISBN: 0128116323 Category : Technology & Engineering Languages : en Pages : 620
Book Description
Metal Oxides in Heterogeneous Catalysis is an overview of the past, present and future of heterogeneous catalysis using metal oxides catalysts. The book presents the historical, theoretical, and practical aspects of metal oxide-based heterogeneous catalysis. Metal Oxides in Heterogeneous Catalysis deals with fundamental information on heterogeneous catalysis, including reaction mechanisms and kinetics approaches.There is also a focus on the classification of metal oxides used as catalysts, preparation methods and touches on zeolites, mesoporous materials and Metal-organic frameworks (MOFs) in catalysis. It will touch on acid or base-type reactions, selective (partial) and total oxidation reactions, and enzymatic type reactions The book also touches heavily on the biomass applications of metal oxide catalysts and environmentally related/depollution reactions such as COVs elimination, DeNOx, and DeSOx. Finally, the book also deals with future trends and prospects in metal oxide-based heterogeneous catalysis. - Presents case studies in each chapter that provide a focus on the industrial applications - Includes fundamentals, key theories and practical applications of metal oxide-based heterogeneous catalysis in one comprehensive resource - Edited, and contributed, by leading experts who provide perspectives on synthesis, characterization and applications
Author: John Meurig Thomas Publisher: John Wiley & Sons ISBN: 352731458X Category : Science Languages : en Pages : 768
Book Description
This long-awaited second edition of the successful introduction to the fundamentals of heterogeneous catalysis is now completely revised and updated. Written by internationally acclaimed experts, this textbook includes fundamentals of adsorption, characterizing catalysts and their surfaces, the significance of pore structure and surface area, solid-state and surface chemistry, poisoning, promotion, deactivation and selectivity of catalysts, as well as catalytic process engineering. A final section provides a number of examples and case histories. With its color and numerous graphics plus references to help readers to easily find further reading, this is a pivotal work for an understanding of the principles involved.
Author: Gerard V. Smith Publisher: Academic Press ISBN: 008052480X Category : Science Languages : en Pages : 363
Book Description
The features of this book which will be of special interest to academic organic chemists are the introduction (Chapter 1), which presents a short course on the concepts and language of heterogeneous catalysis, covers organic reaction mechanisms of hydrogenation (Chapter 2), hydrogenolysis (Chapter 4), and oxidation (Chapter 6), a presents problems and solutions specific for running heterogeneous catalytic organic reactions in solution. These materials can supplement advanced chemistry courses. Most synthetic organic chemists use a variety of "protecting groups" which they attach to functional groups (reactive groups of atoms) while some reaction is being conducted on another part of the molecule. These protecting groups prevent reactions of the functional groups during other reactions and are removed later by a heterogeneous catalytic method called hydrogenolysis. One unique feature of this book, not found in other books on catalysis, is an exhaustive chapter (Chapter 4) on hydrogenolysis, which is dredged from the recent synthetic literature published by modern organic chemists. Academic organic chemists should find this chapter extremely useful and may wish to adopt the book as a supplement for advanced organic chemistry courses designed for seniors and for graduate students. It will also be useful for professors and their research groups engaged in synthetic organic chemistry. Many academic organic chemists are not aware of recent advances in heterogeneous enantioselective catalysis (Chapter 3) or in selective low temperature, liquid phase heterogeneous catalytic oxidations by hydrogen peroxide (Chapter 6). These specialty topics are timely and may be new to academic organic chemists and can be used to supplement their advanced courses. Several features of this book will also be of special interest to industrial chemists who are unfamiliar with heterogeneous catalysis. Many good organic chemists are hire by industry. They synthesize a new compound using standard organic synthetic techniques but are informed by their supervisor that they must convert some of their synthetic steps into heterogeneous catalytic steps. They may not have been exposed to heterogeneous catalysis and have few places to turn. This book offers them a crash course in heterogeneous catalysis as well as many examples of reactions and conditions with which they can start their search. Those industrial organic chemists already familiar with heterogeneous catalysis will find this book useful as a reference to many examples in the recent literature. They will find recent surface science discoveries correlated with heterogeneous catalysis or organic reactions and mechanistic suggestions designed to stimulate innovative nontraditional thinking about organic reactions on surfaces. - Written by organic chemists for organic chemists - Introduces heterogeneous catalysis concepts and language - Presents a comprehensive compilation of protecting group removal procedures - Covers liquid-phase hydrogenations, hydrogenolysis, and oxidations - Addresses heterogeneous methods for producing pure enantiomers of chiral products - Examines the emerging field of heterogenized homogeneous catalysts - Mixes practical applications with mechanistic interpretations
Author: David S. Sholl Publisher: John Wiley & Sons ISBN: 1118211049 Category : Science Languages : en Pages : 252
Book Description
Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including: Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations Worked examples that demonstrate how DFT calculations are used to solve real-world problems Further readings listed in each chapter enabling readers to investigate specific topics in greater depth This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed.
Author: R.M. Lambert Publisher: Springer Science & Business Media ISBN: 9401589119 Category : Science Languages : en Pages : 534
Book Description
Heterogeneous catalysis provides the backbone of the world's chemical and oil industries. The innate complexity of practical catalytic systems suggests that useful progress should be achievable by investigating key aspects of catalysis by experimental studies on idealised model systems. Thin films and supported clusters are two promising types of model system that can be used for this purpose, since they mimic important aspects of the properties of practical dispersed catalysts. Similarly, appropriate theoretical studies of chemisorption and surface reaction clusters or extended slab systems can provide valuable information on the factors that underlie bonding and catalytic activity. This volume describes such experimental and theoretical approaches to the surface chemistry and catalytic behaviour of metals, metal oxides and metal/metal oxide systems. An introduction to the principles and main themes of heterogeneous catalysis is followed by detailed accounts of the application of modern experimental and theoretical techniques to fundamental problems. The application of advanced experimental methods is complemented by a full description of theoretical procedures, including Hartree-Fock, density functional and similar techniques. The relative merits of the various approaches are considered and directions for future progress are indicated.
Author: Annemie Bogaerts Publisher: MDPI ISBN: 3038977500 Category : Technology & Engineering Languages : en Pages : 248
Book Description
Plasma catalysis is gaining increasing interest for various gas conversion applications, such as CO2 conversion into value-added chemicals and fuels, N2 fixation for the synthesis of NH3 or NOx, methane conversion into higher hydrocarbons or oxygenates. It is also widely used for air pollution control (e.g., VOC remediation). Plasma catalysis allows thermodynamically difficult reactions to proceed at ambient pressure and temperature, due to activation of the gas molecules by energetic electrons created in the plasma. However, plasma is very reactive but not selective, and thus a catalyst is needed to improve the selectivity. In spite of the growing interest in plasma catalysis, the underlying mechanisms of the (possible) synergy between plasma and catalyst are not yet fully understood. Indeed, plasma catalysis is quite complicated, as the plasma will affect the catalyst and vice versa. Moreover, due to the reactive plasma environment, the most suitable catalysts will probably be different from thermal catalysts. More research is needed to better understand the plasma–catalyst interactions, in order to further improve the applications.
Author: Saeed Sahebdelfar
Author: Saeed Sahebdelfar
Author: Jens K. Nørskov
Author: Pascal Granger
Author: Pedro J. Pérez
Author: Jacques C. Vedrine
Author: John Meurig Thomas
Author: Gerard V. Smith
Author: David S. Sholl
Author: R.M. Lambert
Author: Annemie Bogaerts