Pathway and Surface Mechanism Studies of 1,3-butadiene Selective Oxidation Over Vanadium-Molybdenum-Oxygen Catalysts

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Book Synopsis Pathway and Surface Mechanism Studies of 1,3-butadiene Selective Oxidation Over Vanadium-Molybdenum-Oxygen Catalysts by :

Download or read book Pathway and Surface Mechanism Studies of 1,3-butadiene Selective Oxidation Over Vanadium-Molybdenum-Oxygen Catalysts written by and published by . This book was released on 2002 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The partial oxidation of 1,3-butadiene has been investigated over VMoO catalysts synthesized by sol-gel techniques. Surface areas were 9-14 m2/g, and compositions were within the solid solution regime, i.e. below 15.0 mol % MoO3/(MoO3 + V2O5). Laser Raman Spectroscopy and XRD data indicated that solid solutions were formed, and pre- and post-reaction XPS data indicated that catalyst surfaces contained some V{sup +4} and were further reduced in 1,3-butadiene oxidation. A reaction pathway for 1,3-butadiene partial oxidation to maleic anhydride was shown to involve intermediates such as 3,4-epoxy-1-butene, crotonaldehyde, furan, and 2-butene-1,4-dial. The addition of water to the reaction stream substantially increased catalyst activity and improved selectivity to crotonaldehyde and furan at specific reaction temperatures. At higher water addition concentrations, furan selectivity increased from 12% to over 25%. The catalytic effects of water addition were related to competitive adsorption with various V2O5-based surface sites, including the vanadyl V=O, corner sharing V-O-V and edge sharing V-O oxygen. Higher levels of water addition were proposed to impose acidic character by dissociative adsorption. In addition, a novel combinatorial synthesis technique for VMoO was used to investigate the phase transitions of V2O5, solid solutions of Mo in V2O5, V9Mo6O40, and other reduced VMoO compounds, characterized by laser Raman spectroscopy. The natural composition gradient imposed by the sputter deposition apparatus was used to create VMoO arrays containing 225 samples ranging from 7.0-42 mol% MoO3/(V2O5 + MoO3), determined by EDS analysis.

Pathway and Surface Mechanism Studies of 1,3-butadiene Selective Oxidation Over Vanadium-molybdenum-oxygen Catalysts

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ISBN 13 :
Total Pages : 298 pages
Book Rating : 4.:/5 (476 download)

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Book Synopsis Pathway and Surface Mechanism Studies of 1,3-butadiene Selective Oxidation Over Vanadium-molybdenum-oxygen Catalysts by : William David Schroeder

Download or read book Pathway and Surface Mechanism Studies of 1,3-butadiene Selective Oxidation Over Vanadium-molybdenum-oxygen Catalysts written by William David Schroeder and published by . This book was released on 2001 with total page 298 pages. Available in PDF, EPUB and Kindle. Book excerpt: The catalytic effects of water addition were related to competitive adsorption with various V2O5-based surface sites, including the vanadyl V=O, corner sharing V-0-V and edge sharing V-0 oxygen. Higher levels of water addition were proposed to impose acidic character by dissociative adsorption. In addition, a novel combinatorial synthesis technique for VMoO was used to investigate the phase transitions Of V205, solid solutions of Mo in V205, V9Mo6040, and other reduced VMoO compounds, characterized by laser Raman spectroscopy. The natural composition gradient imposed by the sputter deposition apparatus was used to create VMoO arrays containing 225 samples ranging from 7.0 - 42 mol % Mo03/(V205 + Mo03), determined by EDS analysis.

Toward a Molecular Level Understanding of Mixed Metal Oxide Oxidation Catalysts

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ISBN 13 :
Total Pages : 150 pages
Book Rating : 4.:/5 (94 download)

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Book Synopsis Toward a Molecular Level Understanding of Mixed Metal Oxide Oxidation Catalysts by : Andrew Getsoian

Download or read book Toward a Molecular Level Understanding of Mixed Metal Oxide Oxidation Catalysts written by Andrew Getsoian and published by . This book was released on 2013 with total page 150 pages. Available in PDF, EPUB and Kindle. Book excerpt: The selective oxidation and ammoxidation of light olefins comprises a 5 million ton per year industry, and is responsible for making possible products from nitrile rubber to Plexiglas to acrylic paint. The industrial catalyst of choice for such reactions is based on bismuth molybdate, and was first patented in the 1950s. In the intervening decades, a significant body of research has been done on bismuth molybdate-based catalysts, and yet a surprising amount is still not known about how these catalysts work. This Thesis has focused primarily on developing new methods for studying bismuth molybdates and related catalysts in order to gain new insight into the means by which the physical and electronic structures of the active sites in these catalysts give rise to their catalytic activity. The mechanism by which propene is oxidized on the (010) surface of Bi2Mo3O12 has been investigated using the RPBE+U variety of density functional theory (DFT). The location of the active site was determined, and the calculated barrier for the rate-determining step at this site found to be in good agreement with experimental results. Calculations revealed the essential roles of bismuth and molybdenum in providing the geometric and electronic structure responsible for catalytic activity at the active site, and suggested that catalytic activity could be further enhanced by substitution with a more reducible element. In order to accurately model substitution of an additional reducible element in to Bi2Mo3O12 using DFT, more sophisticated approaches than RPBE+U were required. Two more advanced density functionals, M06-L and HSE, were examined. The HSE functional was found to be too expensive for practical use on extended systems like bismuth molybdate catalysts. The accuracy of the M06-L functional for lattice constants and geometries, reaction energies and barriers, electronic structures, and non-covalent interactions was investigated, and compared results from the RPBE+U method. The M06-L functional was found to be superior to RPBE+U for lattice constants, reaction energies, and non-covalent interactions, and as good as or better than RPBE+U for electronic structures. Use of the M06-L functional was therefore determined to be preferable to use of RPBE+U for use in the study of substituted bismuth molybdate catalysts. Calculations employing the M06-L functional were combined with physical characterization using diffuse reflectance UV-VIS, x-ray photoelectron, and x-ray near edge absorption spectroscopies in order to understand the effect of substitution of vanadium for molybdenum on the activation energy for propene oxidation in catalysts of formula Bi1-x/3V1-xMoxO4. In these catalysts, substitution of vanadium for molybdenum has been observed to lower the apparent activation barrier for propene oxidation. It was found that the lower activation barrier for propene oxidation over mixed vanadate-molybdate catalysts is a consequence of the smaller difference between the catalyst conduction band edge energy and the energy level of the highest occupied molecular orbital in propene. The lower conduction band edge energy in mixed vanadate-molybdate catalysts is related to the energies of and degrees of mixing between the V 3d and Mo 4d orbitals comprising the conduction band. Both of these observations suggest general principles that may be of relevance to a variety of mixed metal oxide catalyst systems. An improved procedure for synthesizing bismuth molybdate and bismuth vanadate catalysts was also developed. This procedure involved a two step templating process: a structured mesoporous carbon was templated from KIT-6 or MCM-48 mesoporous silica, and the structured mesoporous carbon in turn used as a template during synthesis of the metal oxide catalyst. Catalysts produced by the double templating process had surface areas of 14-17 m2/g, a large improvement on the

Molecular Structure-reactivity Relationships for Propane Oxidation Over Model Mixed Oxide Catalysts

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Book Synopsis Molecular Structure-reactivity Relationships for Propane Oxidation Over Model Mixed Oxide Catalysts by :

Download or read book Molecular Structure-reactivity Relationships for Propane Oxidation Over Model Mixed Oxide Catalysts written by and published by . This book was released on 2003 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Mixed Mo-V-Sb-Nb and Mo-V-Te-Nb oxides were recently discovered as highly active and selective catalysts for the propane oxidation to propylene and oxygenates, i.e. acrolein and acrylic acid. Fundamental information is needed for understanding the bulk and surface molecular structure-activity/selectivity relationships and providing rules of rational design of improved mixed metal oxide catalysts for the selective oxidation of propane. The phase composition and catalytic activity of the model Mo-V-Sb-Nb-O system strongly depended on the synthesis route and composition. A number of distinct solid-state phases were observed in this system: Mo6V9O40, MoO3, rutile SbVO4 and the defect "Mo-V-Nb-O" phases. The kinetic studies indicated that the high selectivity to acrylic acid (2̃0 mol.%) was associated with the Mo6V9O40 and the defect "Mo-V-Nb-O" phases. The synthesis of these mixed Mo-V-Sb-Nb-O system was performed using combinatorial chemistry techniques to explore the utility of liquid phase automated synthesis for the reproducible preparation of these catalysts. This study indicated good reproducibility of phase compositions and catalytic properties and provided new insights into the transformation processes that occur in these oxides with time on stream. It was discovered in this research that the model mixed Mo-V-Te-O catalyst represents a simple model system for elucidating the molecular structure-activity/selectivity relationships in propane selective oxidation. This catalyst contains the two major crystalline phases proposed as active and selective for propane oxidation. This research elucidated the effect of the chemical composition, solution pH and thermal treatment on phase composition and catalytic performance. High resolution TEM study established the crystal structures of the hexagonal and orthorhombic phases in terms of their space groups, unit cell parameters, atomic coordinates and elemental compositions. In order to understand the role of the structure, morphology and composition of mixed Mo-V-Te-Nb-O system, novel synthesis approaches employing ordered arrays of colloidal polystyrene spheres (0.4 ưm) were successfully developed. These novel nanocrystalline catalysts with surface areas in the 80-110 m2/g range consisted of 20-50 nm particles of desirable catalytic phases and contained 6-20 nm pores. Kinetic studies demonstrated the acrylic acid yields exceeding 40 mol.% and approaching the commercial targets for the selective oxidation of propane to acrylic acid.

Fundamental Concepts in Heterogeneous Catalysis

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Publisher : John Wiley & Sons
ISBN 13 : 1118888952
Total Pages : 228 pages
Book Rating : 4.1/5 (188 download)

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Book Synopsis Fundamental Concepts in Heterogeneous Catalysis by : Jens K. Nørskov

Download or read book Fundamental Concepts in Heterogeneous Catalysis written by Jens K. Nørskov and published by John Wiley & Sons. This book was released on 2014-10-27 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

American Doctoral Dissertations

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ISBN 13 :
Total Pages : 816 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis American Doctoral Dissertations by :

Download or read book American Doctoral Dissertations written by and published by . This book was released on 2000 with total page 816 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Mechanistic Insights on the Oxidative Dehydrogenation of Light Alkanes Catalyzed by Boron-based Catalysts

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ISBN 13 :
Total Pages : 120 pages
Book Rating : 4.:/5 (116 download)

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Book Synopsis Mechanistic Insights on the Oxidative Dehydrogenation of Light Alkanes Catalyzed by Boron-based Catalysts by : Juan Mauricio Venegas

Download or read book Mechanistic Insights on the Oxidative Dehydrogenation of Light Alkanes Catalyzed by Boron-based Catalysts written by Juan Mauricio Venegas and published by . This book was released on 2019 with total page 120 pages. Available in PDF, EPUB and Kindle. Book excerpt: Light olefins such as ethylene and propylene form the foundation of the modern chemical industry, with yearly production volumes well into the hundreds of millions of metric tons. Currently, these light olefins are mainly produced via energy-intensive steam cracking. Alternatively, oxidative dehydrogenation (ODH) of light alkanes to produce olefins allows for lower operation temperatures and extended catalyst lifetimes, providing valuable process efficiencies. This route has led to significant research interest due to the wide availability of natural gas from shale deposits. Advances in this area have still not yielded catalysts that are sufficiently selective to olefins for industrial implementation, and ODH still remains a holy grail of selective alkane oxidation research. Research into selective heterogeneous catalysts for the ODH of propane has led to the extensive use of vanadium oxide-based catalysts, and studies on the surface mechanism involved have been used to improve the catalytic activity of the material. Despite decades of research, however, selectivity towards propylene has not proven satisfactory at industrially-relevant conversions. In this thesis, I will present the serendipitous discovery and subsequent development of hexagonal boron nitride (hBN) and other boron-containing catalysts as selective ODH catalysts. Specifically, I will illustrate the evolution of our understanding of the chemical origin of the reactivity of these materials, which until our initial discovery were deemed chemically inert. By combining reactivity studies with spectroscopic characterization highlighted a unique interaction between boron and oxiygen that differs from that of metal oxides. This methodical characterization of catalytic activity and structural changes of hBN during ODH prompted us to zero in on oxidized boron species, not hBN itself, as the true catalyst of alkane oxidation. In turn, this discovery led us to describe a whole class of B-containing materials that share (and often improve upon) the catalytic performance of hBN. At this point, we decided to step away from material studies and instead improve our understanding on how the catalytic performance of hBN is affected by reactor operating parameters. In particular, we investigated the role of heat and mass transfer on catalytic performance. Unexpectedly, we were once again surprised by hBN when various experimental results during these efforts suggested the significance of gas phase chemistry on ODH performance. For example, we observed that upon dilution of hBN with an inert thermal conductor (to mitigate hotspot formation), the observed reactivity scales with total bed volume rather than hBN mass. Up until these studies, we expected all reactivity to stem from oxidized boron species, but these may be only a part of a more complex surface-gas phase reaction network. The final portion of this thesis presents our latest efforts to understand the role of each reactant on surface and gas phase reaction pathways. Within this work, we incorporate water into our reaction feeds to assess its influence as a source of gas phase radical species to carry out propane activation. Indeed, we observe significant rate enhancements by addition of water. This reactivity enhancement likely involves influencing reactive species concentrations primarily in the gas phase and, to a lesser extent, altering the surface composition during ODH. Overall, this thesis expands our understanding of B-based materials as ODH catalysts and highlights the importance of considering gas phase radical chemistry in future process development.

Solid State Chemistry in Catalysis

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ISBN 13 :
Total Pages : 386 pages
Book Rating : 4.:/5 (44 download)

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Book Synopsis Solid State Chemistry in Catalysis by : Robert K. Grasselli

Download or read book Solid State Chemistry in Catalysis written by Robert K. Grasselli and published by . This book was released on 1985 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: Good,No Highlights,No Markup,all pages are intact, Slight Shelfwear,may have the corners slightly dented, may have slight color changes/slightly damaged spine.

Selective oxidation over vanadium containing catalysts

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ISBN 13 :
Total Pages : 179 pages
Book Rating : 4.:/5 (643 download)

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Book Synopsis Selective oxidation over vanadium containing catalysts by : Philip J. Pomonis

Download or read book Selective oxidation over vanadium containing catalysts written by Philip J. Pomonis and published by . This book was released on 1977 with total page 179 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Bismuth

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Publisher : BoD – Books on Demand
ISBN 13 : 1789232627
Total Pages : 231 pages
Book Rating : 4.7/5 (892 download)

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Book Synopsis Bismuth by : Ying Zhou

Download or read book Bismuth written by Ying Zhou and published by BoD – Books on Demand. This book was released on 2018-06-20 with total page 231 pages. Available in PDF, EPUB and Kindle. Book excerpt: Bismuth (Bi) is a post-transition metal element with the atomic number of 83, which belongs to the pnictogen group elements in Period 6 in the elemental periodic table. As a heavy metal, the hazard of Bi is unusually low in contrast to its neighbors Pb and Sb. This property, along with other typical characteristics like strong diamagnetism and low thermal conductivity, makes Bi attractive in industrial applications. There are more than 100 commercial bismuth products, from pharmaceutical to industrial catalysts. Based on the wide applications of Bi materials, this book goes further and mainly focuses on the potential uses of Bi-based materials, which consist of nine chapters. In addition, a special chapter concerning the defect in bismuth is also presented.

Synthesis and Investigation of Boron and Vanadium Based Catalysts for the Oxidative Dehydrogenation of Light Alkanes to Olefins

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ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (142 download)

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Book Synopsis Synthesis and Investigation of Boron and Vanadium Based Catalysts for the Oxidative Dehydrogenation of Light Alkanes to Olefins by : Natalie Raquel Altvater

Download or read book Synthesis and Investigation of Boron and Vanadium Based Catalysts for the Oxidative Dehydrogenation of Light Alkanes to Olefins written by Natalie Raquel Altvater and published by . This book was released on 2023 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Light olefins like ethylene and propylene are important building blocks for the chemical industry. Production of these chemicals exceeds 100 million metric tons each year, and they are used in all areas of society including automotive, medical, textile, and food packaging. These light olefins are traditionally produced via steam cracking which is an energy intensive process. The increasing availability of natural gas in the present chemical industry has shifted the feedstock for refinery processes and impacted the production volume of certain olefins, particularly propylene. As a result, there is a growing need for on-purpose propylene production methods to meet the market demands. Oxidative dehydrogenation (ODH) of propane to propylene is one potential pathway for increasing propylene production. Propane ODH offers lower temperature operation and does not suffer from catalyst deactivation from coke. This process still suffers from over oxidation of products and does not achieve propylene yields required for industrial implementation. Propane ODH has been studied extensively for vanadium oxide catalysts and more recently for boron-based catalysts. Despite the wealth of literature on these ODH catalyst there are still several open questions on the catalyst structure and reaction mechanisms that continue to motivate research to improve the catalytic systems. The understanding on the mechanism and structural features of boron-based has been significantly developed in recent years. This work serves to build on this knowledge and improve current knowledge on structure activity relationships for this system. Vanadium oxide catalysts have been the center of propane ODH for much longer than boron, and while literature agrees generally on the surface mechanism description of this system, there are open questions on different pathways in the mechanism and their influence on performance. The goal of this work is to show how synthesis spectroscopy, reaction engineering, and computation work combine to further the understanding of boron and vanadium oxide catalyst for propane ODH.

A Surface Science Approach to Understanding Supported Vandia Catalysts

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ISBN 13 :
Total Pages : 291 pages
Book Rating : 4.:/5 (244 download)

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Book Synopsis A Surface Science Approach to Understanding Supported Vandia Catalysts by : Gordon Sek-Yin Wong

Download or read book A Surface Science Approach to Understanding Supported Vandia Catalysts written by Gordon Sek-Yin Wong and published by . This book was released on 2003 with total page 291 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Development of Boron-based Catalysts for the Oxidation of Light Alkanes to Olefins

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ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (14 download)

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Book Synopsis Development of Boron-based Catalysts for the Oxidation of Light Alkanes to Olefins by : William Peter McDermott

Download or read book Development of Boron-based Catalysts for the Oxidation of Light Alkanes to Olefins written by William Peter McDermott and published by . This book was released on 2021 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The production of light olefins, such as ethylene and propylene, is a key pillar of the chemical industry as they can be transformed into oxygenates, polymers, and other specialty chemicals. Traditionally, these light olefins have been produced through the steam cracking of petroleum-derived feedstocks. In recent years, the wide availability of natural gas has made light olefin production from light alkanes economically advantageous. However, the current routes to light olefins from natural gas are inefficient, with both steam cracking and non-oxidative alkane dehydrogenation suffering from high reaction temperatures and coke deposition. This has driven academic and industrial research into oxidative alternatives such as the oxidative dehydrogenation (ODH) of alkanes to olefins. Catalysts such as supported vanadium oxides have been studied for the ODH of propane where kinetic and mechanistic studies have led to improvements in this system. However, despite decades of research, work in this area has still not delivered a catalyst with sufficient light olefin selectivity for industrial use.This thesis presents the discovery and development of hexagonal boron nitride (hBN) as a selective catalyst for the ODH of propane and other light alkanes. This material offers superior light olefin selectivity and reduced CO and CO2 selectivity when compared to previously studied metal oxide catalysts. Through kinetic insights, I will show that hBN activates oxygen and alkanes in a manner that is fundamentally different than metal oxides. Spectroscopic characterization shows that the surface of hBN oxidizes to form a BOx layer after exposure to reaction conditions. It is this discovery that led to the establishing of a new class of selective ODH catalysts: elemental boron and inorganic borides. The investigation of the reactivity and structure of these materials offers additional information concerning the origin of activity of boron-containing catalysts. Alongside evaluating the origin of reactivity of these promising ODH catalysts, attention was given to the oxidative cracking of hydrocarbons. Within our initial studies of hBN, we had observed that low PO2 conditions enhanced the selectivity to light olefins. However, these conditions also lead to low alkane conversions. Using n-butane as a model substrate, we optimized the reaction conditions to enhance conversion and light olefin selectivity. Here, we demonstrate that this system is one of the most selective for oxidative cracking. This study also offers further insight into the role of O2 and provides evidence for a surface-initiated gas phase radical mechanism. This thesis culminates with the latest findings in probing the gas phase reactivity of boron-based ODH catalysts. We observe enhanced rates with the dilution of catalyst, providing further evidence for a gas phase mechanism. Alongside these reactivity studies, spectroscopic insights reveal the role of agglomerated BOx formation in ODH reactivity. Also presented here is an outlook on the future study of boron-based catalysts for alkane oxidations and the targeted studies required for continued development of this promising system.

Metal Oxides in Heterogeneous Catalysis

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Publisher : Elsevier
ISBN 13 : 0128116323
Total Pages : 620 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Metal Oxides in Heterogeneous Catalysis by : Jacques C. Vedrine

Download or read book Metal Oxides in Heterogeneous Catalysis written by Jacques C. Vedrine and published by Elsevier. This book was released on 2018-01-11 with total page 620 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Surface Organometallic Chemistry: Molecular Approaches to Surface Catalysis

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Publisher : Springer Science & Business Media
ISBN 13 : 9400929714
Total Pages : 340 pages
Book Rating : 4.4/5 (9 download)

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Book Synopsis Surface Organometallic Chemistry: Molecular Approaches to Surface Catalysis by : Jean-Marie Basset

Download or read book Surface Organometallic Chemistry: Molecular Approaches to Surface Catalysis written by Jean-Marie Basset and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: Surface organometallic chemistry is a new field bringing together researchers from organometallic, inorganic, and surface chemistry and catalysis. Topics ranging from reaction mechanisms to catalyst preparation are considered from a molecular basis, according to which the "active site" on a catalyst surface has a supra-molecular character. This. the first book on the subject, is the outcome of a NATO Workshop held in Le Rouret. France, in May. 1986. It is our hope that the following chapters and the concluding summary of recommendations for research may help to provide a definition of surface organometallic chemistry. Besides catalysis. the central theme of the Workshop, four main topics are considered: 1) Reactions of organometallics with surfaces of metal oxides, metals. and zeolites; 2) Molecular models of surfaces, metal oxides, and metals; 3) Molecular approaches to the mechanisms of surface reactions; 4) Synthesis and modification of zeolites and related microporous solids. Most surface organometallic chemistry has been carried out on amorphous high-surf ace-area metal oxides such as silica. alumina. magnesia, and titania. The first chapter. contributed by KNOZINGER. gives a short summary of the structure and reactivity of metal oxide surfaces. Most of our understanding of these surfaces is based on acid base and redox chemistry; this chemistry has developed from X-ray and spectroscopic data, and much has been inferred from the structures and reactivities of adsorbed organic probe molecules. There are major opportunities for extending this understanding by use of well-defined (single crystal) oxide surfaces and organometallic probe molecules.

Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics

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Publisher : World Scientific
ISBN 13 : 9814496057
Total Pages : 881 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics by : Bruce J Berne

Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.

Olefin Polymerization

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Publisher : Wiley-VCH
ISBN 13 : 9783527317424
Total Pages : 0 pages
Book Rating : 4.3/5 (174 download)

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Book Synopsis Olefin Polymerization by : Walter Kaminsky

Download or read book Olefin Polymerization written by Walter Kaminsky and published by Wiley-VCH. This book was released on 2006-08-18 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: With an enormous velocity, olefin polymerization has expanded to one of the most significant fields in polymers since the first industrial use about 50 years ago. In 2005, 100 million tons of polyolefins were produced - the biggest part was catalyzed by metallorganic compounds. The Hamburg Macromolecular Symposium 2005 with the title "Olefin Polymerization" involved topics such as new catalysts and cocatalysts, kinetics, mechanism and polymer reaction engineering, synthesis of special polymers, and characterization of polyolefins. The conference combined scientists from different disciplines to discuss latest research results of polymers and to offer each other the possibility of cooperation. This is reflected in this volume, which contains invited lectures and selected posters presented at the symposium.