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From First Principles Design To Realization Of Bimetallic Catalysts For Enhanced Selectivity
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Book Synopsis From First Principles Design to Realization of Bimetallic Catalysts for Enhanced Selectivity by :
Download or read book From First Principles Design to Realization of Bimetallic Catalysts for Enhanced Selectivity written by and published by . This book was released on 2014 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: "Catalysis by design" has been a dream for decades. To specify the composition and structure of matter to effect a desired catalytic transformation with desired and predicted rate and selectivity remains a monumental challenge, especially in heterogeneous catalysis. Our research thrusts have been chosen not only for their practical and scientific relevance, e.g. for more efficient and sustainable chemicals and fuels production, but also because they provide a foundation for developing and exploring broadly applicable principles and strategies for catalyst design.
Download or read book CATALYSIS SCIENCE INITIATIVE written by and published by . This book was released on 2007 with total page 18 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this project, we have integrated state-of-the-art Density Functional Theory (DFT) models of heterogeneous catalytic processes with high-throughput screening of bimetallic catalytic candidates for important industrial problems. We have studied a new class of alloys characterized by a surface composition different from the bulk composition, and investigated their stability and activity for the water-gas shift reaction and the oxygen reduction reaction. The former reaction is an essential part of hydrogen production; the latter is the rate-limiting step in low temperature H2 fuel cells. We have identified alloys that have remarkable stability and activity, while having a much lower material cost for both of these reactions. Using this knowledge of bimetallic interactions, we have also made progress in the industrially relevant areas of carbohydrate reforming and conversion of biomass to liquid alkanes. One aspect of this work is the conversion of glycerol (a byproduct of biodiesel production) to synthesis gas. We have developed a bifunctional supported Pt catalyst that can cleave the carbon-carbon bond while also performing the water-gas shift reaction, which allows us to better control the H2:CO ratio. Knowledge gained from the theoretical metal-metal interactions was used to develop bimetallic catalysts that perform this reaction at low temperature, allowing for an efficient coupling of this endothermic reaction with other reactions, such as Fischer-Tropsch or methanol synthesis. In our work on liquid alkane production from biomass, we have studied deactivation and selectivity in these areas as a function of metal-support interactions and reaction conditions, with an emphasis on the bifunctionality of the catalysts studied. We have identified a stable, active catalyst for this process, where the selectivity and yield can be controlled by the reaction conditions. While complete rational design of catalysts is still elusive, this work demonstrates the power of combining the insights gained from theoretical models and the work of experiments to develop new catalysts for current and future industrial challenges.
Book Synopsis From First Principles Design to Realization of Bimetallic Catalysts for Ultrahigh Selectivity - Final Project Report by :
Download or read book From First Principles Design to Realization of Bimetallic Catalysts for Ultrahigh Selectivity - Final Project Report written by and published by . This book was released on 2007 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: (A) Synthesis, Characterization, and Fundamental Properties of Bimetallic DENs. AuAg alloy and core/shell bimetallic DENs were synthesized and characterized. Selective extraction was used as a structural characterization tool for these bimetallic nanoparticles. This is significant because there are few easily accessible methods for structure elucidation of bimetallic nanoparticles in this size regime. As a first step towards the synthesis of catalytically active, bimetallic heterogeneous materials we reported the incorporation of Au and Pd monometallic DENs and AuPd bimetallic DENs into amorphous titania networks. The compositional fidelity of the original DENs, and to some extent their size, is retained following dendrimer removal. Gas-phase catalytic activity for CO oxidation is higher for the bimetallic catalysts than for the corresponding Pd-only and Au-only monometallics. (B) Electrocatalysts based on dendrimer-encapsulated nanoparticles. Platinum dendrimer-encapsulated nanoparticles (DENs) were prepared within fourth-generation, hydroxyl-terminated, poly(amidoamine) dendrimers and immobilized on glassy carbon electrodes using an electrochemical immobilization strategy. X-ray photoelectron spectroscopy, electron microscopy, and electrochemical experiments confirm that the Pt DENs are about 1.4 nm in diameter and that they remain within the dendrimer following surface immobilization. The resulting Pt DEN films were electrocatalytically active for the oxygen reduction reaction (ORR). The films are also robust, surviving up to 50 consecutive cyclic voltammograms and sonication. Monometallic Pd DENs were also prepared and found to have little catalytic activity for the ORR. However, PtPd bimetallic DENs had catalytic activity nearly identical to that found for Pt-only DENs. This indicates an overall catalytic enhancement for the bimetallic electrocatalysts.
Book Synopsis Catalysis for Energy by : National Research Council
Download or read book Catalysis for Energy written by National Research Council and published by National Academies Press. This book was released on 2009-04-09 with total page 138 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents an in-depth analysis of the investment in catalysis basic research by the U.S. Department of Energy (DOE) Office of Basic Energy Sciences (BES) Catalysis Science Program. Catalysis is essential to our ability to control chemical reactions, including those involved in energy transformations. Catalysis is therefore integral to current and future energy solutions, such as the environmentally benign use of hydrocarbons and new energy sources (such as biomass and solar energy) and new efficient energy systems (such as fuel cells). Catalysis for Energy concludes that BES has done well with its investment in catalysis basic research. Its investment has led to a greater understanding of the fundamental catalytic processes that underlie energy applications, and it has contributed to meeting long-term national energy goals by focusing research on catalytic processes that reduce energy consumption or use alternative energy sources. In some areas the impact of the research has been dramatic, while in others, important advances in catalysis science are yet to be made.
Book Synopsis Engineering Bimetallic Catalysts for the Selective Hydrogenation of Carbon Monoxide and Carbon Dioxide to Alcohol Products by : Jonathan Leon Snider
Download or read book Engineering Bimetallic Catalysts for the Selective Hydrogenation of Carbon Monoxide and Carbon Dioxide to Alcohol Products written by Jonathan Leon Snider and published by . This book was released on 2018 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: As human population and industrialization grows, so too do our global demands for fuels and chemicals. Increasing consumption of fossil fuels has led to rising CO2 levels in the atmosphere, a major challenge due to the role of CO2 as a significant greenhouse gas contributing to climate change. To address anthropogenic CO2 production, new processes to capture, sequester, and utilize carbon dioxide are needed. CO2 utilization in particular is an attractive approach as it also creates a value-added product. This utilization could take the form of direct CO2 hydrogenation or a two-step process whereby the CO2 is first converted to CO via the water-gas shift reaction. To enable these processes, the discovery and development of efficient catalysts that can selectively reduce CO and CO2 to high value, oxygenated products is necessary. Towards this goal, the investigation of new catalyst formulations is crucial. Furthermore, the characterization of these materials is necessary to understand the drivers of catalyst performance and predict future targets for study. In Chapter 3, we begin with an investigation into the design of Co-Cu catalysts for CO hydrogenation to higher alcohols. To improve control over particle properties, a liquid phase nanoparticle synthesis based on the polyol method was selected to synthesize Co2.5Cu particles, which were then supported onto a variety of metal oxide supports. The results show alloyed phases were obtained using the polyol method, resulting in selectivity towards higher alcohols, as high as 11.3% when supported on alumina. However, segregation of cobalt and the formation of cobalt carbide were observed in the catalysts after catalytic testing, which limit performance compared to the desired alloy phase. In Chapter 4, our focus shifts towards understanding the surface properties of a newly discovered Ni5Ga3 catalyst for CO2 hydrogenation to methanol. Results revealed that upon air exposure Ga migrates from the subsurface region to the surface of the nanoparticles forming a Ga-oxide shell surrounding a metallic core. Reduction of this shell results in a surface enrichment of Ga. By varying reduction temperatures, it was found that partial reductions gave low CO uptakes but high methanol activity, indicating a promotional effect of the oxide phase. In Chapter 5, the investigation into the role of metal oxides in methanol synthesis continues with a study of In-Pd catalysts. We present the promotional effect of Pd on In2O3 catalysts and investigate structure-performance relationships therein. Catalysts were synthesized with varying In:Pd ratios, and it was found that In2Pd/SiO2 showed the highest activity (5.1 umol MeOH/gInPd/sec) and selectivity toward methanol (61%). Based on microkinetic modeling, operando X-ray absorption spectroscopy and ex situ characterization, the active phase is proposed to be a bimetallic In-Pd particle with a Pd-rich core and a surface In2O3 phase. A non-precious metal containing In-Ni system was also developed and displayed similar composition-activity trends to the In-Pd system. Both palladium and nickel were found to form a bimetallic catalyst with enhanced methanol activity and selectivity relative to indium oxide. Overall, this dissertation presents catalyst syntheses, advanced characterizations, and catalytic hydrogenation experiments which led to fundamental insights into the activity and selectivity of heterogeneous, bimetallic catalysts for alcohols synthesis. This work provides key understanding towards the development of catalyst theory and materials for the hydrogenation of CO and CO2.
Book Synopsis From Surface Science to Heterogeneous Catalysis by : Carrie Ann Farberow
Download or read book From Surface Science to Heterogeneous Catalysis written by Carrie Ann Farberow and published by . This book was released on 2014 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The design of improved heterogeneous catalysts requires a detailed understanding of the governing surface chemistry. Significant advances over the past two decades in electronic structure calculation algorithms and high performance computing have made theoretical tools indispensable in the quest to understand catalysis at the atomic scale. In this dissertation, first principles electronic structure calculations based on density functional theory (DFT) and microkinetic modeling are combined with experimental studies, including surface science, electrocatalysis and reaction kinetics, to elucidate reaction mechanisms and design improved catalysts for a variety of reactions important to energy and environmental applications. Chapters 3 and 4 of this dissertation focus on the fundamental end of the catalysis research spectrum. In this work, experimental surface science studies, using high-resolution, high-speed scanning tunneling microscopy are combined with periodic, self-consistent DFT calculations to improve our understanding of two important processes, hydrogen diffusion and water adsorption, on a metal oxide thin film. In Chapter 5, first principles calculations are utilized to study the vapor phase reaction between hydrogen and oxygen on a homogeneous bimetallic PdAg alloy surface. A successful example of catalyst design for an electrocatalytic application is demonstrated in Chapter 6 using a combined theoretical and experimental approach. A core-shell alloy, composed of an Ir-Re core and Pt and Pd shell layers, is shown to be an effective low cost electocatalyst for the oxygen reduction reaction. Finally, in Chapters 7 and 8 of this dissertation, DFT calculations are combined with experimental reaction kinetic studies using a microkinetic model to bridge the pressure and materials gap, in a study of nitric oxide reduction by hydrogen on a platinum catalyst. In this work, we show the impact of nitric oxide surface coverage on the reaction energetics and elucidate the reaction pathways governing the activity and selectivity of the reaction on Pt under realistic reaction conditions.
Book Synopsis An Audit of State of Wisconsin by : Wisconsin. Legislature. Legislative Audit Bureau
Download or read book An Audit of State of Wisconsin written by Wisconsin. Legislature. Legislative Audit Bureau and published by . This book was released on 2007 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Microstructure-based Design and Synthesis of Surface-tailored Bimetallic Catalysts by : Paul Slayton Dimick
Download or read book Microstructure-based Design and Synthesis of Surface-tailored Bimetallic Catalysts written by Paul Slayton Dimick and published by . This book was released on 2010 with total page 241 pages. Available in PDF, EPUB and Kindle. Book excerpt: The catalytic performance of supported bimetallic nanoparticles depends on their surface microstructure. Achieving an ideal surface microstructure results in a bimetallic catalyst that has enhanced activity and/or selectivity compared its monometallic components. This is commonly known as synergy. To identify a synergistic surface microstructure for the reduction of NO with H2, Pt-Rh/gamma-Al2O3 catalysts were prepared, evaluated for their catalytic performance, and characterized with in-situ FTIR spectroscopy and aberration-corrected scanning transmission electron microscopy (STEM). The microstructure-based design and synthesis method was developed to form and surface-tailor populations supported bimetallic nanoparticles using time-temperature atmosphere treatments. This method was applied to replace Rh with Co and Ni to produce new, synergistic Pt-Co and Pt-Ni catalysts for the reduction of NO with H2. Synergistic Pt-Co and Pt-Ni catalysts were prepared by coimpregnation, sequential impregnation, and sequential impregnation with an intermediate calcination step each followed by a defined series of thermal treatments. In-situ FTIR spectroscopy and aberration-corrected STEM were used to show that the catalysts exhibiting optimal synergistic performance had the desired surface microstructure. The microstructure-based design and synthesis method allowed the bulk composition and preparation procedure that resulted in synergy to be predicted, and time-temperature-atmosphere treatments were successfully used to control the surface microstructure of supported bimetallic nanoparticles.
Book Synopsis Dissertation Abstracts International by :
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2004 with total page 772 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Design of Heterogeneous Catalysts by : Umit S. Ozkan
Download or read book Design of Heterogeneous Catalysts written by Umit S. Ozkan and published by John Wiley & Sons. This book was released on 2009-02-11 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: This long-awaited reference source is the first book to focus on this important and hot topic. As such, it provides examples from a wide array of fields where catalyst design has been based on new insights and understanding, presenting such modern and important topics as self-assembly, nature-inspired catalysis, nano-scale architecture of surfaces and theoretical methods. With its inclusion of all the useful and powerful tools for the rational design of catalysts, this is a true "must have" book for every researcher in the field.
Book Synopsis The Development of Catalysis by : Adriano Zecchina
Download or read book The Development of Catalysis written by Adriano Zecchina and published by John Wiley & Sons. This book was released on 2017-04-03 with total page 341 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gradually brings the reader, through illustrations of the most crucial discoveries, into the modern world of chemical catalysis. Readers and experts will better understand the enormous influence that catalysis has given to the development of modern societies. • Highlights the field's onset up to its modern days, covering the life and achievements of luminaries of the catalytic era • Appeals to general audience in interpretation and analysis, but preserves the precision and clarity of a scientific approach • Fills the gap in publications that cover the history of specific catalytic processes
Book Synopsis Methanol Synthesis by : Jerzy Skrzypek
Download or read book Methanol Synthesis written by Jerzy Skrzypek and published by . This book was released on 1994 with total page 174 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Solar to Chemical Energy Conversion by : Masakazu Sugiyama
Download or read book Solar to Chemical Energy Conversion written by Masakazu Sugiyama and published by Springer. This book was released on 2016-01-25 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explains the conversion of solar energy to chemical energy and its storage. It covers the basic background; interface modeling at the reacting surface; energy conversion with chemical, electrochemical and photoelectrochemical approaches and energy conversion using applied photosynthesis. The important concepts for converting solar to chemical energy are based on an understanding of the reactions’ equilibrium and non-equilibrium conditions. Since the energy conversion is essentially the transfer of free energy, the process are explained in the context of thermodynamics.
Book Synopsis Plasma Catalysis by : Annemie Bogaerts
Download or read book Plasma Catalysis written by Annemie Bogaerts and published by MDPI. This book was released on 2019-04-02 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Beyond Oil and Gas by : George A. Olah
Download or read book Beyond Oil and Gas written by George A. Olah and published by John Wiley & Sons. This book was released on 2011-08-24 with total page 351 pages. Available in PDF, EPUB and Kindle. Book excerpt: The world is currently consuming about 85 million barrels of oil a day, and about two-thirds as much natural gas equivalent, both derived from non-renewable natural sources. In the foreseeable future, our energy needs will come from any available alternate source. Methanol is one such viable alternative, and also offers a convenient solution for efficient energy storage on a large scale. In this updated and enlarged edition, renowned chemists discuss in a clear and readily accessible manner the pros and cons of humankind's current main energy sources, while providing new ways to overcome obstacles. Following an introduction, the authors look at the interrelationship of fuels and energy, and at the extent of our non-renewable fossil fuels. They also discuss the hydrogen economy and its significant shortcomings. The main focus is on the conversion of CO2 from industrial as well as natural sources into liquid methanol and related DME, a diesel fuel substitute that can replace LNG and LPG. The book is rounded off with an optimistic look at future possibilities. A forward-looking and inspiring work that vividly illustrates potential solutions to our energy and environmental problems.
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.
Book Synopsis Catalysis for Sustainability by : Thomas P. Umile
Download or read book Catalysis for Sustainability written by Thomas P. Umile and published by CRC Press. This book was released on 2015-08-05 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis for Sustainability: Goals, Challenges, and Impacts explores the intersection between catalytic science and sustainable technologies as a means to addressing current economic, social, and environmental problems. These problems include harnessing alternative energy sources, pollution prevention and remediation, and the manufacturing of comm
