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Book The Selective Oxidation and Ammoxidation of Propene Over Bismuth Molybdate Catalysts Containing Varying Concentration of Iron

Download or read book The Selective Oxidation and Ammoxidation of Propene Over Bismuth Molybdate Catalysts Containing Varying Concentration of Iron written by Andrew James Watts and published by . This book was released on 2008 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Toward a Molecular Level Understanding of Mixed Metal Oxide Oxidation Catalysts

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

Book Metal Oxides in Heterogeneous Catalysis

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

Book Advances in Catalysis

Download or read book Advances in Catalysis written by and published by Academic Press. This book was released on 1979-02-12 with total page 415 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Catalysis

Book Bismuth

    Book Details:
  • Author : Ying Zhou
  • Publisher : BoD – Books on Demand
  • Release : 2018-06-20
  • ISBN : 1789232627
  • Pages : 231 pages

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.

Book Selective Oxidation of Propylene Over Multicomponent Bi Mo Co Fe O Catalysts

Download or read book Selective Oxidation of Propylene Over Multicomponent Bi Mo Co Fe O Catalysts written by Matthias Stehle and published by . This book was released on 2022 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Advances In Catalyst Design  Vol 2  Proceedings Of The 2nd Workshop On Catalyst Design

Download or read book Advances In Catalyst Design Vol 2 Proceedings Of The 2nd Workshop On Catalyst Design written by Mauro Graziani and published by World Scientific. This book was released on 1993-09-30 with total page 413 pages. Available in PDF, EPUB and Kindle. Book excerpt: The workshop organized by the international centre for science and technology provided an occasion for researchers active both in homogeneous and heterogeneous catalysis to meet and look for common interpretations and a common language.

Book Encyclopedia of Catalysis  6 Volume Set

Download or read book Encyclopedia of Catalysis 6 Volume Set written by István T. Horváth and published by Wiley-Interscience. This book was released on 2003 with total page 856 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis, the speeding up of a chemical reaction by a substance which itself does not react, is vital not only to the chemical process industry but also to life itself. The six volume Encyclopedia of Catalysis is the definitive A-to-Z reference work covering the most significant aspects of homogenous, heterogeneous, asymmetric, biomimetic, and biological catalysis. Available both on-line and in print, the state-of-the-art Encyclopedia encompasses the principles of catalysis; the scope of catalytic reactions; the preparation, characterization, and use of catalysts (including catalytic technology); the modeling of catalytic processes; and related reaction engineering techniques. The logical organization of this seminal work renders the text easily accessible to both process personnel and those involved in basic and applied research and development. For more information regarding the online edition, please visit Wiley Online Library: Encyclopedia of Catalysis Online

Book Bismuth Molybdate Catalysts for the Partial Oxidation of Propylene

Download or read book Bismuth Molybdate Catalysts for the Partial Oxidation of Propylene written by Thomas Peter Snyder and published by . This book was released on 1988 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Active Oxygen in Chemistry

    Book Details:
  • Author : Christopher S. Foote
  • Publisher : Springer Science & Business Media
  • Release : 2012-12-06
  • ISBN : 9400708742
  • Pages : 355 pages

Download or read book Active Oxygen in Chemistry written by Christopher S. Foote and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 355 pages. Available in PDF, EPUB and Kindle. Book excerpt: Taking an interdisciplinary approach, this book and its counterpart, Active Oxygen in Biochemistry, explore the active research area of the chemistry and biochemistry of oxygen. Complementary but independent, the two volumes integrate subject areas including medicine, biology, chemistry, engineering, and environmental studies.

Book Fundamental Concepts in Heterogeneous Catalysis

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

Book Selective Oxidation of Hydrocarbons

Download or read book Selective Oxidation of Hydrocarbons written by D. J. Hucknall and published by . This book was released on 1974 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Solid State Chemistry in Catalysis

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.