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Many processes of the chemical industry are based upon heterogeneous catalysis. Two important items of these processes are the development of the catalyst itself and the design and optimization of the reactor. Both aspects would benefit from rigorous and accurate kinetic modeling, based upon information on the working catalyst gained from classical steady state experimentation, but also from studies using surface science techniques, from quantum chemical calculations providing more insight into possible reaction pathways and from transient experimentation dealing with reactions and reactors. This information is seldom combined into a kinetic model and into a quantitative description of the process. Generally the catalytic aspects are dealt with by chemists and by physicists, while the chemical engineers are called upon for mechanical aspects of the reactor design and its control. The symposium "Dynamics of Surfaces and Reaction Kinetics in Heterogeneous Catalysis" aims at illustrating a more global and concerted approach through a number of prestigious keynote lectures and severely screened oral and poster presentations.
The symposium "Reaction Kinetics and the Development of Catalytic Processes" is the continuation of the very successful International Symposium "Dynamics of Surfaces and Reaction Kinetics in Heterogeneous Catalysis", held in September 1997 in Antwerp, Belgium. These proceedings contain a unique series of top level plenary lectures mainly focused on• the dynamics of catalytic surfaces• the interaction of the reacting molecules with the solid catalyst• the elementary steps of reaction pathways and molecular kinetics.Surface science techniques, molecular modeling, transient kinetic studies, sophisticated and specific reactors are included to a growing extent in the kinetic modeling and the development of catalytic processes. How this is practiced today and how it will evolve in the coming years, and what benefit can be expected for a more fundamentally based approach is the aim of the symposium.
The science of catalytic reaction engineering studies the catalyst and the catalytic process in the laboratory in order to predict how they will perform in production-scale reactors. Surprises are to be avoided in the scaleup of industrial processes. The laboratory results must account for flow, heat and mass transfer influences on reaction rate to be useful for scaleup. Calculated performance based on these results must also be useful to maximization of profit and safety and minimization of pollution. To this end, information on products as well as byproducts and heat produced must be generated. If a sufficiently large database of knowledge is produced, optimization studies will be possible later if economic conditions change.The field of reaction engineering required new tools. For kinetic and catalyst testing, the most successful of these tools was the internal recycle reactor. Studies in recycle reactors can be made under well-defined conditions of flow and associated transfer processes, and close to commercial operation. The recycle reactor eliminates or minimizes the effect of transfer process, and allows the remaining ones to be known.Features of this book:• Provides insight into a field that is neither well understood nor properly appreciated.• Gives a deeper understanding of reaction engineering practice.• Helps avoid frustration and disappointment in industrial research. This book is short and clear enough to assist all members of the R&D and Engineering team, whether reaction engineers, or specialists in other fields. This is critical in this new age of computation and communication, when team members must each know at least something of their colleagues' fields. Additionally, many scientists in more exploratory or fundamental fields can use recycle reactors to study basic phenomena free of transfer interactions.
Filling a gap in the current literature, this comprehensive reference presents all important catalyst classes, including metal oxides, polyoxometalates, and zeolites. Readers will find here everything they need to know -- from structure design to characterization, and from immobilization to industrial processes. A true must-have for anyone working in this key technology.
This volume includes papers presented at the second International Workshop on Oxide-based Systems at the Crossroads of Chemistry, held at Villa Olmo in Como, Italy, 8-11 October.The selected papers present the highlights of recent research in the field of oxide structure. A wide range of oxidic materials, including real oxides, zeolites and layer-structured systems, is considered and described in terms of preparation methods, structural characterization and the relation between active sites, structure and catalytic properties. The application of the most powerful simulation and physical-chemical techniques show their usefulness in discovering and explaining structural and dynamic properties of complex materials. Moreover the development of sophisticated spectroscopical and analytical techniques are shown to significantly improve the growth of surface oxide science, generating new tools for the knowledge of catalyst structure and reaction mechanisms. An interesting feature is the inclusion of papers which show the mutual roles of experiment and theoretical models.
This book covers the most important topics concerning cationic Ziegler-Natta and ring-opening metathesis polymerization of cycloolefins. The work describes the major pathways that cycloolefins can follow under the action of specific catalytic systems, essentially vinyl and ring-opening polymerization, both reaction types allowing the manufacture of distinct products with wide applicability in modern technologies. The comprehensive data available on this subject are logically and systematically selected and reviewed throughout 18 chapters, according to the basic catalytic processes involved, types of monomers and catalysts employed, reaction conditions and application fields. The modern trends in design of chiral metallocene catalysts, well-defined living metathesis catalysts, catalysts tolerant toward functionalities and water systems are highlighted. The book discusses in detail the relevant aspects of these processes including reaction thermodynamics, kinetics, mechanisms and stereochemistry and correlates the structure of produced polymers with their chemical and physical-mechanical properties. Related important topics include Ziegler-Natta polymerization of olefins and dienes, atom transfer radical polymerization of vinyl compounds, metathesis of olefins and acetylenes, acyclic diene metathesis reaction, carbonyl olefination reaction, metathesis polymerization of acetylenes, metathesis degradation of polymers and ring-opening polymerization of heterocycles. Special emphasis is laid upon the manufacture of commerical products, new polymers and copolymers of potential interest for industry and design and synthesis of speciality polymers with particular structures and architectures and desired properties. The book critically evaluates the most recent achievements reported in this field and outlines the modern trends on the research and application of the catalytic processes for cycloolefin polymerization. For the first time, comprehensive information about the published data on the subject up to now is provided for both academic and industrial researchers working in the areas of polymer chemistry, organic and organometallic chemistry, surface science and catalysis, petrochemistry and chemical engineering. This stimulating book offers an enlightening introduction and a quick documentation on the subject as well as a solid background in this field. Moreover, the work offers a wealth of useful information for specialists applying polymers in various scientific and industrial areas.
The purpose of this Conference was to discuss the results of recent developments and the future prospect in science and technology of the field. The field has been growing and flourishing, while indicating many problems to be uncovered and solved. The conference was structured to encourage interaction and to stimulate the exchange of ideas to accomplish the above purpose.Key issues and materials related to the Conference were included as follows: • Molecular Assemblies in Solutions; • Fine Particles and Colloidal Dispersions; • Supramolecular Organized Films; • Nanostructural Solid Surfaces; • Industrial Applications and Products.The Conference comprised 2 plenary lectures, 42 invited lectures, 150 oral presentations and 266 poster presentations.
During the past 30 years, the field of alkene polymerization over transition metal catalysts underwent several major changes:1. The list of commercial heterogeneous Ziegler-Natta catalysts for the synthesis of polyethylene and stereoregular polyolefins was completely renewed affording an unprecedented degree of control over the polymer structure.2. Research devoted to metallocene and other soluble transition-metal catalysis has vastly expanded and has shifted toward complexes of transition metals with multidentate ligands.3. Recent developments in gel permeation chromatography, temperature-rising fractionation, and crystallization fractionation provided the first reliable information about differences between various active centers in transition-metal catalysts.4. A rapid development of high-resolution 13C NMR spectroscopy resulted in greatly expanded understanding of the chemical and steric features of polyolefins and alkene copolymers. These developments require a new review of all aspects of alkene polymerization reactions with transition-metal catalysts. The first chapter in the book is an introductory text for researchers who are entering the field. It describes the basic principles of polymerization reactions with transition-metal catalysts, the types of catalysts, and commercially manufactured polyolefins. The next chapter addresses the principal issue of alkene polymerization catalysis: the existence of catalyst systems with single and multiple types of active centers. The subsequent chapters are devoted to chemistry and stereochemistry of elemental reaction steps, structures of catalyst precursors and reactions leading to the formation of active centers, kinetics of polymerization reactions, and their mechanisms.The book describes the latest commercial polymerization catalysts for the synthesis of polyethylenes and polypropylene The book provides a detailed description of the multi-center nature of commercial Ziegler-Natta catalysts. The book devotes specialized chapters to the most important aspects of transition metal polymerization catalysts: the reactions leading to the formation of active centers, the chemistry and stereochemistry of elemental polymerization steps, reaction kinetics, and the polymerization mechanism. The book contains an introductory chapter for researchers who are entering the field of polymerization catalysis. It describes the basic principles of polymerization reactions with transition-metal catalysts and the types of commercially manufactured polyolefins and copolymersThe book contains over 2000 references, the most recent up to end of 2006.
Hydrocarbons and their transformations play major roles in chemistry as raw materials and sources of energy. Diminishing petroleum supplies, regulatory problems, and environmental concerns constantly challenge chemists to rethink and redesign the industrial applications of hydrocarbons. Written by Nobel Prize-winner George Olah and hydrocarbon expert Árpád Molnár, the completely revised and expanded Second Edition of Hydrocarbon Chemistry provides an unparalleled contemporary assessment of the field, presenting basic concepts, current research, and future applications. Hydrocarbon Chemistry begins by discussing the general aspects of hydrocarbons, the separation of hydrocarbons from natural sources, and the synthesis from C1 precursors with recent developments for possible future applications. Each successive chapter deals with a specific type of hydrocarbon transformation. The Second Edition includes a new section on the chemical reduction of carbon dioxide–focusing on catalytic, ionic, electrocatalytic, photocatalytic, and ezymatic reductions–as well as a new chapter on new catalysts and activation methods, combinatorial chemistry, and environmental chemistry. Other topics covered include: Major processes of the petrochemical industry, such as cracking, reforming, isomerization, and alkylation Derivation reactions to form carbon-heteroatom bonds Hydrocarbon oxidations Metathesis Oligomerization and polymerization of hydrocarbons All chapters have been updated by adding sections on recent developments to review new advances and results. Essential reading for practicing scientists in industry, polymer and catalytic chemists, as well as researchers and graduate students, Hydrocarbon Chemistry, Second Edition remains the benchmark text in its field.