Download or read book AB Initio Study of Organometallic Phthalocyanine Catalysts for the Conversion of Methane to Methanol written by Chase Ferrone and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Methane’s low energy density and contribution to the greenhouse gas effect has emphasized the importance of converting methane to methanol. In this work, organometallic, single transition metal active site heterogeneous phthalocyanine catalysts have been designed to activate methane in a single step process. Copper and cobalt phthalocyanines, supported by TiN and BN substrates, have been studied using ab initio density functional theory (DFT) implemented in the Vienna ab initio software package (VASP). Titanium nitride (TiN) has potential as a substrate due to its metallic-like behavior and favorable optical properties.

Download or read book Methane and Alkane Conversion Chemistry written by M.M. Bhasin and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt: Natural gas, an abundant natural energy and chemical resource, is underutilized. Its inherent high energy content is compromised by its volatility. Storage and transportation problems abound for liquified natural gas. Several of the drawbacks of the utilization of natural gas, particularly its high volatility, could be offset by development of an economical and efficient process for coupling and/or further homologation of its principal component, methane. Alternatively, other conversion strategies such as partial oxidation to methanol and syngas, to oxygenates or conversion to such products via the intermediacy of chlorides should also be considered. Given the energy-intensive regimes necessary for the likely activation of methane, it was inevitable that researchers would tum to the use of heterogeneous catalysts. Heterogeneous catalysis is now a relatively mature discipline with numerous and diverse reactions being explored alongside informative studies on surface characterization, mechanism, and theory. Relationships to important related areas such as homogeneous catalysis, organometallic chemistry, and inorganic chemistry have become firmly established within this discipline. The field of methane and alkane activation is now over ten years old. The first decade of investigation produced results plagued by low yields and low-moderate conversions with well-articulated mechanistic limitations. As we begin the second decade of inquiry, novel strategies have brought increasing yields and conversions to such products as ethane, ethylene, methanol, and formaldehyde. These new approaches utilize separation of products via membranes or adsorbents. Moreover, additional mechanistic insight has been forthcoming from theoretical and computational examination as well as experimental investigation.

Download or read book Direct Catalytic Conversion of Methane and Light Hydrocarbon Gases Quarterly Report No 1 October 16 1986 January 15 1987 written by and published by . This book was released on 1987 with total page 20 pages. Available in PDF, EPUB and Kindle. Book excerpt: The United States will need to be able to convert coal to liquid fuels should current supplies be interrupted. The indirect method for producing fuel liquids is the gasification of the coal to synthesis gas (syngas) followed by Fischer-Tropsch synthesis to convert syngas to hydrocarbons. However, both the gasifier and the FTS processes result in the production of methane and/or light hydrocarbon by-product that negatively affect the economics of the production of liquid fuel from coal. The goal of SRI's research is thus to develop catalysts that directly convert methane and light hydrocarbons to intermediates that can, as economics dictate, be subsequently converted either to liquid fuels or value-added chemicals. SRI project 2678 is exploring two approaches to achieving the stated goal. The first approach consists of developing advanced catalysts for reforming methane. We will prepare the catalysts by reacting organometallic complexes of transition metals (Fe, Ru, Rh, and Re) with zeolitic and rare earth exchanged zeolitic supports to produce surfaceconfined metal complexes in the zeolite pores. We will then decompose the organometallic complexes to obtain very stable, highly dispersed catalysts. Our second approach entails synthesizing the porphyrin and phthalocyanine complexes of Cr, Mn, Ru, Fe, and/or Co within the pores of zeolitic supports for use as selective oxidation catalysts for methane and light hydrocarbons. We will test the catalysts in a fixed-bed isothermal microreactor in a downflow mode at (approximately)100 psi. During the first quarter of this project, we have concentrated on methane oxidation to methanol. We have synthesized phthalocyanine oxidation catalysts containing different metals (Co, Fe, and Ru) within zeolite pores. our examination of their ability to oxidize methane to methanol has indicated preliminary positive results.

Download or read book CO2 Hydrogenation Catalysis written by Yuichiro Himeda and published by John Wiley & Sons. This book was released on 2021-06-28 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: A guide to the effective catalysts and latest advances in CO2 conversion in chemicals and fuels Carbon dioxide hydrogenation is one of the most promising and economic techniques to utilize CO2 emissions to produce value-added chemicals. With contributions from an international team of experts on the topic, CO2 Hydrogenation Catalysis offers a comprehensive review of the most recent developments in the catalytic hydrogenation of carbon dioxide to formic acid/formate, methanol, methane, and C2+ products. The book explores the electroreduction of carbon dioxide and contains an overview on hydrogen production from formic acid and methanol. With a practical review of the advances and challenges in future CO2 hydrogenation research, the book provides an important guide for researchers in academia and industry working in the field of catalysis, organometallic chemistry, green and sustainable chemistry, as well as energy conversion and storage. This important book: Offers a unique review of effective catalysts and the latest advances in CO2 conversion Explores how to utilize CO2 emissions to produce value-added chemicals and fuels such as methanol, olefins, gasoline, aromatics Includes the latest research in homogeneous and heterogeneous catalysis as well as electrocatalysis Highlights advances and challenges for future investigation Written for chemists, catalytic chemists, electrochemists, chemists in industry, and chemical engineers, CO2 Hydrogenation Catalysis offers a comprehensive resource to understanding how CO2 emissions can create value-added chemicals.

Download or read book Nanostructured Catalysts written by Susannah L. Scott and published by Springer Science & Business Media. This book was released on 2008-04-06 with total page 341 pages. Available in PDF, EPUB and Kindle. Book excerpt: With the recent advent of nanotechnology, research and development in the area of nanostructured materials has gained unprecedented prominence. Novel materials with potentially exciting new applications are being discovered at a much higher rate than ever before. Innovative tools to fabricate, manipulate, characterize and evaluate such materials are being developed and expanded. To keep pace with this extremely rapid growth, it is necessary to take a breath from time to time, to critically assess the current knowledge and provide thoughts for future developments. This book represents one of these moments, as a number of prominent scientists in nanostructured materials join forces to provide insightful reviews of their areas of expertise, thus offering an overall picture of the state-- the art of the field. Nanostructured materials designate an increasing number of materials with designed shapes, surfaces, structures, pore systems, etc. Nanostructured materials with modified surfaces include those whose surfaces have been altered via such techniques as grafting and tethering of organic or organometallic species, or through various deposition procedures including electro, electroless and vapor deposition, or simple adsorption. These materials find important applications in catalysis, separation and environmental remediation. Materials with patterned surfaces, which are essential for the optoelectronics industry, constitute another important class of surface-modified nanostructured materials. Other materials are considered nanostructured because of their composition and internal organization.

Download or read book Chemical Abstracts written by and published by . This book was released on 2002 with total page 2668 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Comprehensive Coordination Chemistry II written by J. A. McCleverty and published by Newnes. This book was released on 2003-12-03 with total page 11845 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive Coordination Chemistry II (CCC II) is the sequel to what has become a classic in the field, Comprehensive Coordination Chemistry, published in 1987. CCC II builds on the first and surveys new developments authoritatively in over 200 newly comissioned chapters, with an emphasis on current trends in biology, materials science and other areas of contemporary scientific interest.

Download or read book Computational Catalysis written by Aravind Asthagiri and published by Royal Society of Chemistry. This book was released on 2014 with total page 277 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis.

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.

Download or read book Pillared Clays and Related Catalysts written by Antonio Gil and published by Springer Science & Business Media. This book was released on 2010-08-28 with total page 531 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the first works introducing the aluminum intercalated clay family in the early 1970s, interest in the synthesis of pillared interlayered clays has increased tremendously, especially research into the properties and applications of new synthesis methods. The need for solids that could be used as cracking catalysts with larger pores than zeolitic materials has spurred the synthesis of new porous materials from clays. Pillared Clays and Related Catalysts reviews the properties and applications of pillared clays and other layered materials used as catalysts, focusing on: the acidity of pillared clays and the effect it has on catalytic performance the use of pillared clays as supports for catalytically active phases, and the use of the resulting solids in environmentally friendly reactions the applications of the selective reduction of NOx the comparison between the reactions of pillared clays and anionic clays.

Download or read book Carbon Allotropes Metal Complex Chemistry Properties and Applications written by Boris Ildusovich Kharisov and published by Springer. This book was released on 2019-01-02 with total page 798 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a detailed description of metal-complex functionalized carbon allotrope forms, including classic (such as graphite), rare (such as M- or T-carbon), and nanoforms (such as carbon nanotubes, nanodiamonds, etc.). Filling a void in the nanotechnology literature, the book presents chapters generalizing the synthesis, structure, properties, and applications of all known carbon allotropes. Metal-complex composites of carbons are described, along with several examples of their preparation and characterization, soluble metal-complex carbon composites, cost-benefit data, metal complexes as precursors of carbon allotropes, and applications. A lab manual on the synthesis and characterization of carbon allotropes and their metal-complex composites is included. Provides a complete description of all carbon allotropes, both classic and rare, as well as carbon nanostructures and their metal-complex composites; Contains a laboratory manual of experiments on the synthesis and characterization of metal-complex carbon composites; Discusses applications in diverse fields, such as catalysis on supporting materials, water treatment, sensors, drug delivery, and devices.

Download or read book Machine Learning in Chemistry written by Jon Paul Janet and published by American Chemical Society. This book was released on 2020-05-28 with total page 189 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in machine learning or artificial intelligence for vision and natural language processing that have enabled the development of new technologies such as personal assistants or self-driving cars have brought machine learning and artificial intelligence to the forefront of popular culture. The accumulation of these algorithmic advances along with the increasing availability of large data sets and readily available high performance computing has played an important role in bringing machine learning applications to such a wide range of disciplines. Given the emphasis in the chemical sciences on the relationship between structure and function, whether in biochemistry or in materials chemistry, adoption of machine learning by chemistsderivations where they are important

Download or read book The Oxidation of Cyclohexane written by I. V. Berezin and published by Elsevier. This book was released on 2018-04-12 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Oxidation of Cyclohexane focuses on the processes, methodologies, reactions, and approaches involved in the oxidation of cyclohexane. The publication first offers information on the theory of slow chain oxidations and the products of liquid-phase cyclohexane oxidation. Discussions focus on the applicability of the stationary state method to liquid-phase oxidation reactions; mechanism of liquid hydrocarbon chain oxidation; kinetic equations for product accumulation in degenerate branching chain reactions; and changes of the volume of the liquid phase due to oxidation product formation. The text then ponders on experimental apparatus for the study of the liquid-phase oxidation of cyclohexane, including prevention of cyclohexane losses in the waste gases, explosion danger and problems of safety, and characteristics of gas sampling in cyclohexane oxidation apparatus. The manuscript takes a look at the kinetics of uncatalyzed cyclohexane oxidation and kinetics of cyclohexane oxidation in continuous flow systems. Topics include effect of temperature on the relative yield of cyclohexane oxidation products; kinetics of cyclohexane oxidation in a glass reactor; rate of oxygen absorption and accumulation of reaction products; ideal displacement reactor; and determination of diffusion factor. The publication is a dependable reference for readers interested in the oxidation of cyclohexane.

Download or read book Oxidative Cross Coupling Reactions written by Aiwen Lei and published by John Wiley & Sons. This book was released on 2016-08-12 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first handbook on this emerging field provides a comprehensive overview of transition metal-catalyzed coupling reactions in the presence of an oxidant. Following an introduction to the general concept and mechanism of this reaction class, the team of authors presents chapters on C-C cross-coupling reactions using organometallic partners, C-Heteroatom bond forming reactions via oxidative couplings, and C-H couplings via C-H activation. The text also covers such groundbreaking topics as recent achievements in the fields of C-C and C-X bond formation reactions as well as C-H activation involving oxidative couplings. With its novel and concise approach towards important building blocks in organic chemistry and its focus on synthetic applications, this handbook is of great interest to all synthetic chemists in academia and industry alike.

Download or read book Heterogeneous Photocatalysis Using Inorganic Semiconductor Solids written by Umar Ibrahim Gaya and published by Springer Science & Business Media. This book was released on 2013-11-08 with total page 222 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book underscores the essential principles of photocatalysis and provides an update on its scientific foundations, research advances, and current opinions, and interpretations. It consists of an introduction to the concepts that form the backbone of photocatalysis, from the principles of solid-state chemistry and physics to the role of reactive oxidizing species. Having recognised the organic link with chemical kinetics, part of the book describes kinetic concepts as they apply to photocatalysis. The dependence of rate on the reaction conditions and parameters is detailed, the retrospective and prospective aspects of the mechanism of photocatalysis are highlighted, and the adsorption models, photocatalytic rate expressions, and kinetic disguises are examined. This book also discusses the structure, property, and activity relationship of prototypical semiconductor photocatalysts and reviews how to extend their spectral absorption to the visible region to enable the effective use of visible solar spectrum. Lastly, it presents strategies for deriving substantially improved photoactivity from semiconductor materials to support the latest applications and potential trends.

Download or read book Reaction Pathways and Mechanisms in Thermocatalytic Biomass Conversion II written by Marcel Schlaf and published by Springer. This book was released on 2015-10-30 with total page 206 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume II presents the latest advances in catalytic hydrodeoxygenation and other transformations of some cellulosic platform chemicals to high value-added products. It presents the theoretical evaluation of the energetics and catalytic species involved in potential pathways of catalyzed carbohydrate conversion, pathways leading to the formation of humin-based by-products, and thermal pathways in deriving chemicals from lignin pyrolysis and hydrodeoxygenation. Catalytic gasification of biomass under extreme thermal conditions as an extension of pyrolysis is also discussed. Marcel Schlaf, PhD, is a Professor at the Department of Chemistry, University of Guelph, Canada. Z. Conrad Zhang, PhD, is a Professor at the Dalian Institute of Chemical Physics, Chinese Academy of Sciences, China.

Download or read book Bioelectrosynthesis written by Falk Harnisch and published by Springer. This book was released on 2019-01-04 with total page 423 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume discusses both the latest experimental research in bioelectrosynthesis and current applications. Beginning with an introduction into the “electrification of biotechnology” as well as the underlying fundamentals, the volume then discusses a wide range of topics based on the interfacing of biotechnological and electrochemical reaction steps. It includes contributions on the different aspects of bioelectrochemical applications for synthesis purposes, i.e. the production of fine and platform chemicals based on enzymatically or microbially catalyzed reactions driven by electric energy. The volume finishes with a summary and outlook chapter which gives an overview of the current status of the field and future perspectives. Edited by experts in the field, and authored by a wide range of international researchers, this volume assesses how research from today’s lab bench can be developed into industrial applications, and is of interest to researchers in academia and industry.