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Book First principles Study of Ethanol and Methanol Steam Reforming on Co based Materials

Download or read book First principles Study of Ethanol and Methanol Steam Reforming on Co based Materials written by Wenjia Luo and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Ethanol steam reforming (ESR) is a promising way to produce hydrogen fuels from bio-renewable sources. Ethanol, as a liquid fuel, is convenient to transport and store. On the other hand, hydrogen is a clean and very efficient fuel if used in Proton Exchange Membrane (PEM) fuel cells. On site or on demand production of hydrogen from bio-ethanol can utilize the advantages of both ethanol and hydrogen fuels. In recent years, Co-based materials were found to be promising ESR catalysts because of their low cost and high efficiency. Ideal ESR catalysts should achieve fast conversion of ethanol, high selectivity to CO2, and long term stability without sintering, coking, or deactivation. Cobalt supported on reducible materials, such as CeO2 and ZnO, were found to have exceptional performance. On these catalyst materials, two oxidation states of Co, Co0 and Co2+, were found to be present. Mechanistic studied suggested that both Co0 and Co2+ have contributions to the catalytic activity of the Co catalyst, although their separate roles are still not clear. his study used a combination of first-principles methods, including density functional theory (DFT), microkinetic modeling, and ab initio thermodynamics, to study the ESR reactions on both the metallic and oxidized cobalt surfaces. Methanol steam reforming (MSR), as a simpler model of ESR, was also studied on the metallic cobalt surfaces. Through DFT calculations, the dominant reaction pathways of ESR and MSR have been identified on metallic and oxidized Co surfaces. The MSR reaction can be considered as a two-stage process, which consists of the methanol decomposition into CO, and the further conversion of CO into CO2 through water-gas shift (WGS) reaction. The ESR can be treated as a three-stage process, which includes ethanol decomposition into CH3 and CO, CH3 oxidation into CO, and CO conversion into CO2 through WGS. It was found that the metallic and oxidized Co phases have quite different catalytic activity in all stages of ESR and MSR. Specifically, the metallic Co has a higher activity in C-C bond breaking steps, but has low activity in carbon oxidation and CO activation. On the contrary, oxidized cobalt shows low activity in C-C bond breaking, but is more facile in carbon oxidation and CO conversion. This study suggests that neither metallic nor oxidized Co is active for all steps of ESR under real reaction conditions. Collaboration between these two oxidation states is likely the reason for the high performance observed in experiments. Such collaboration can potentially happen on the interface between metallic and oxidized Co, where the interactions between these two phases is significant and can produce high ESR catalytic activity. First-principles studies presented in this document can help to clarify the catalytic mechanism of ESR on Co-based materials. Through microkinetic modeling, macroscopic parameters such as turnover frequencies and apparent activation energies can also be predicted and verified by experiments. These results can facilitate the prediction of catalytic activity of Co-based materials based on their structures, and guide the future design of highly active ESR catalysts.

Book Nanotechnology for Hydrogen Production and Storage

Download or read book Nanotechnology for Hydrogen Production and Storage written by Kamel A. Abd-Elsalam and published by Elsevier. This book was released on 2024-05-01 with total page 737 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanotechnology for Hydrogen Production and Storage: Nanostructured Materials and Interfaces presents an evaluation of the various nano-based systems for hydrogen generation and storage. With a focus on the challenges and recent developments, the book analyses nanomaterials with the potential to boost hydrogen production and improve storage. The book assesses the potential improvements to industrially important hydrogen production technologies by the way of better surface-interface control through nanostructures of strategical composites of metal oxides, metal chalcogenides, plasmonic metals, conducting polymers, carbonaceous materials and bio-interfaces with different types of algae and bacteria. The efficiency of various photochemical water splitting processes to generate renewable hydrogen energy are reviewed, with a focus on natural water splitting via photosynthesis, and the use of various metallic and non-metallic nanomaterials in anthropogenic/artificial water splitting processes is analyzed. The potential of nanomaterials in enhancing hydrogen generation in dark- and photo-fermentative organisms is also explored. Finally, the book critically evaluates various nano-based systems for hydrogen generation, as well as significant challenges and recent advances in biohydrogen research and development. Nanotechnology for Hydrogen Production and Storage is a valuable reference for student and researchers working in renewable energy and interested in the production and storage of hydrogen and may be of interest to interdisciplinary researchers in the areas of environmental engineering, materials science, and biotechnology. Synthesizes the latest advances in the field of nanoparticles for hydrogen production and storage, including new methods and industry applications Explains various methods for the design of nanomaterials for hydrogen production and storage Identifies the strengths and weaknesses of different nanomaterials and approaches Explores hydrogen production via photocatalytic, electrocatalytic, and biological processes

Book Concepts of Modern Catalysis and Kinetics

Download or read book Concepts of Modern Catalysis and Kinetics written by I. Chorkendorff and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 469 pages. Available in PDF, EPUB and Kindle. Book excerpt: Until now, the literature has offered a rather limited approach to the use of fundamental kinetics and their application to catalytic reactions. Subsequently, this book spans the full range from fundamentals of kinetics and heterogeneous catalysis via modern experimental and theoretical results of model studies to their equivalent large-scale industrial production processes. The result is key knowledge for students at technical universities and professionals already working in industry. '... such an enterprise will be of great value to the community, to professionals as well as graduate and undergraduate students attempting to move into the field of modern catalysis and kinetics. I strongly recommend you publish this book based on the proposal.' - Prof. Dr. G. A. Samorjai, University of California 'Both authors are well respected specialists, with a very long record of original top-quality work and an international reputation. A book from these authors will be considered an authoritative piece of work, I definitely support this project and I am looking forward to use the book when published.' - Prof. Dr. D. E. Resasco, University of Oklahoma 'I wholly support the proposed project. The authors are very competent young colleagues and there is a real need for such a textbook' - Prof. Dr. G. Ertl, Fritz-Haber-Institut, Max-Planck-Gesellschaft, Berlin

Book Renewable Fuels for Sustainable Mobility

Download or read book Renewable Fuels for Sustainable Mobility written by Pravesh Chandra Shukla and published by Springer Nature. This book was released on 2023-05-06 with total page 349 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume discusses the use of renewable fuels for clean transportation and its applications on internal combustion engines. The contents focus on the key aspects of fuel production processes and its impact on various segments of the transportation sector and for sustainable mobility. Several kinds of fuels are assessed such as biofuels, alcohols, and hydrogen, and their effects on the combustion process are characterized by application. This volume will be of use to those working in academia and industry as well as energy experts and policy makers.

Book Heterogeneous Catalysts

Download or read book Heterogeneous Catalysts written by Wey Yang Teoh and published by John Wiley & Sons. This book was released on 2021-02-23 with total page 768 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presents state-of-the-art knowledge of heterogeneous catalysts including new applications in energy and environmental fields This book focuses on emerging techniques in heterogeneous catalysis, from new methodology for catalysts design and synthesis, surface studies and operando spectroscopies, ab initio techniques, to critical catalytic systems as relevant to energy and the environment. It provides the vision of addressing the foreseeable knowledge gap unfilled by classical knowledge in the field. Heterogeneous Catalysts: Advanced Design, Characterization and Applications begins with an overview on the evolution in catalysts synthesis and introduces readers to facets engineering on catalysts; electrochemical synthesis of nanostructured catalytic thin films; and bandgap engineering of semiconductor photocatalysts. Next, it examines how we are gaining a more precise understanding of catalytic events and materials under working conditions. It covers bridging pressure gap in surface catalytic studies; tomography in catalysts design; and resolving catalyst performance at nanoscale via fluorescence microscopy. Quantum approaches to predicting molecular reactions on catalytic surfaces follows that, along with chapters on Density Functional Theory in heterogeneous catalysis; first principles simulation of electrified interfaces in electrochemistry; and high-throughput computational design of novel catalytic materials. The book also discusses embracing the energy and environmental challenges of the 21st century through heterogeneous catalysis and much more. Presents recent developments in heterogeneous catalysis with emphasis on new fundamentals and emerging techniques Offers a comprehensive look at the important aspects of heterogeneous catalysis Provides an applications-oriented, bottoms-up approach to a high-interest subject that plays a vital role in industry and is widely applied in areas related to energy and environment Heterogeneous Catalysts: Advanced Design, Characterization and Applications is an important book for catalytic chemists, materials scientists, surface chemists, physical chemists, inorganic chemists, chemical engineers, and other professionals working in the chemical industry.

Book Materials for Sustainable Energy

Download or read book Materials for Sustainable Energy written by Vincent Dusastre and published by World Scientific. This book was released on 2011 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: The search for cleaner, cheaper, smaller and more efficient energy technologies has to a large extent been motivated by the development of new materials. The aim of this collection of articles is therefore to focus on what materials-based solutions can offer and show how the rationale design and improvement of their physical and chemical properties can lead to energy-production alternatives that have the potential to compete with existing technologies. In terms of alternative means to generate electricity that utilize renewable energy sources, the most dramatic breakthroughs for both mobile (i.e., transportation) and stationary applications are taking place in the fields of solar and fuel cells. And from an energy-storage perspective, exciting developments can be seen emerging from the fields of rechargeable batteries and hydrogen storage.

Book Nanostructured and Advanced Materials for Fuel Cells

Download or read book Nanostructured and Advanced Materials for Fuel Cells written by San Ping Jiang and published by CRC Press. This book was released on 2013-12-07 with total page 584 pages. Available in PDF, EPUB and Kindle. Book excerpt: Boasting chapters written by leading international experts, Nanostructured and Advanced Materials for Fuel Cells provides an overview of the progress that has been made so far in the material and catalyst development for fuel cells. The book covers the most recent developments detailing all aspects of synthesis, characterization, and performance.It

Book Methanol  The Basic Chemical and Energy Feedstock of the Future

Download or read book Methanol The Basic Chemical and Energy Feedstock of the Future written by Martin Bertau and published by Springer Science & Business Media. This book was released on 2014-02-18 with total page 699 pages. Available in PDF, EPUB and Kindle. Book excerpt: Methanol - The Chemical and Energy Feedstock of the Future offers a visionary yet unbiased view of methanol technology. Based on the groundbreaking 1986 publication "Methanol" by Friedrich Asinger, this book includes contributions by more than 40 experts from industry and academia. The authors and editors provide a comprehensive exposition of methanol chemistry and technology which is useful for a wide variety of scientists working in chemistry and energy related industries as well as academic researchers and even decision-makers and organisations concerned with the future of chemical and energy feedstocks.

Book Hydrogen and Syngas Production and Purification Technologies

Download or read book Hydrogen and Syngas Production and Purification Technologies written by Ke Liu and published by John Wiley & Sons. This book was released on 2010-01-07 with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covers the timely topic of fuel cells and hydrogen-based energy from its fundamentals to practical applications Serves as a resource for practicing researchers and as a text in graduate-level programs Tackles crucial aspects in light of the new directions in the energy industry, in particular how to integrate fuel processing into contemporary systems like nuclear and gas power plants Includes homework-style problems

Book Plasma Catalysis

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 Heterogeneous Catalysis at Nanoscale for Energy Applications

Download or read book Heterogeneous Catalysis at Nanoscale for Energy Applications written by Franklin Tao and published by John Wiley & Sons. This book was released on 2015-02-09 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents both the fundamentals concepts and latest achievements of a field that is growing in importance since it represents a possible solution for global energy problems. It focuses on an atomic-level understanding of heterogeneous catalysis involved in important energy conversion processes. It presents a concise picture for the entire area of heterogeneous catalysis with vision at the atomic- and nano- scales, from synthesis, ex-situ and in-situ characterization, catalytic activity and selectivity, to mechanistic understanding based on experimental exploration and theoretical simulation. The book: Addresses heterogeneous catalysis, one of the crucial technologies employed within the chemical and energy industries Presents the recent advances in the synthesis and characterization of nanocatalysts as well as a mechanistic understanding of catalysis at atomic level for important processes of energy conversion Provides a foundation for the potential design of revolutionarily new technical catalysts and thus the further development of efficient technologies for the global energy economy Includes both theoretical studies and experimental exploration Is useful as both a textbook for graduate and undergraduate students and a reference book for scientists and engineers in chemistry, materials science, and chemical engineering

Book Photocatalytic Hydrogen Evolution

Download or read book Photocatalytic Hydrogen Evolution written by Misook Kang and published by MDPI. This book was released on 2020-06-17 with total page 136 pages. Available in PDF, EPUB and Kindle. Book excerpt: Energy crises and global warming pose serious challenges to researchers in their attempt to develop a sustainable society for the future. Solar energy conversion is a remarkable, clean, and sustainable way to nullify the effects of fossil fuels. The findings of photocatalytic hydrogen production (PCHP) by Fujishima and Honda propose that “water will be the coal for the future”. Hydrogen is a carbon-free clean fuel with a high specific energy of combustion. Titanium oxide (TiO2), graphitic-carbon nitride (g-C3N4) and cadmium sulfide (CdS) are three pillars of water splitting photocatalysts owing to their superior electronic and optical properties. Tremendous research efforts have been made in recent years to fabricate visible or solar-light, active photocatalysts. The significant features of various oxide, sulfide, and carbon based photocatalysts for cost-effective hydrogen production are presented in this Special Issue. The insights of sacrificial agents on the hydrogen production efficiency of catalysts are also presented in this issue.

Book CO2 Hydrogenation Catalysis

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.

Book Gaseous Carbon Waste Streams Utilization

Download or read book Gaseous Carbon Waste Streams Utilization written by National Academies of Sciences, Engineering, and Medicine and published by National Academies Press. This book was released on 2019-02-22 with total page 257 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the quest to mitigate the buildup of greenhouse gases in Earth's atmosphere, researchers and policymakers have increasingly turned their attention to techniques for capturing greenhouse gases such as carbon dioxide and methane, either from the locations where they are emitted or directly from the atmosphere. Once captured, these gases can be stored or put to use. While both carbon storage and carbon utilization have costs, utilization offers the opportunity to recover some of the cost and even generate economic value. While current carbon utilization projects operate at a relatively small scale, some estimates suggest the market for waste carbon-derived products could grow to hundreds of billions of dollars within a few decades, utilizing several thousand teragrams of waste carbon gases per year. Gaseous Carbon Waste Streams Utilization: Status and Research Needs assesses research and development needs relevant to understanding and improving the commercial viability of waste carbon utilization technologies and defines a research agenda to address key challenges. The report is intended to help inform decision making surrounding the development and deployment of waste carbon utilization technologies under a variety of circumstances, whether motivated by a goal to improve processes for making carbon-based products, to generate revenue, or to achieve environmental goals.

Book Methanol Synthesis

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: