Download or read book Modelling of Electrochemical Promotion in Heterogeneous Catalytic Systems written by Ioannis Fragkopoulos and published by . This book was released on 2014 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Recent Advances in Electrochemical Promotion of Catalysis written by Philippe Vernoux and published by Springer Nature. This book was released on 2022-10-03 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: This contributed volume provides a critical review of research in the field of Electrochemical Promotion of Catalysis (EPOC). It presents recent developments during the past decade that have led to a better understanding of the field and towards applications of the EPOC concept. The chapters focus on the implementation of EPOC for developing sinter-resistant catalysts, catalysts for hydrogen production, ammonia production and carbon dioxide valorization. The book also highlights the developments towards electropromoted dispersed catalysts and for self-sustained electrochemical promotion which are currently expanding. This authoritative analysis of EPOC is useful for various scientific communities working at the interface of heterogeneous catalysis, solid state electrochemistry and materials science. It is of particular interest to groups whose research focuses on developments towards a better and more sustainable future.
Download or read book Electrochemical Activation of Catalysis written by Costas G. Vayenas and published by Springer Science & Business Media. This book was released on 2007-05-08 with total page 597 pages. Available in PDF, EPUB and Kindle. Book excerpt: I knew nothing of the work of C. G. Vayenas on NEMCA until the early nineties. Then I learned from a paper of his idea (gas interface reactions could be catalyzed electrochemically), which seemed quite marvelous; but I did not understand how it worked. Consequently, I decided to correspond with Professor Vayenas in Patras, Greece, to reach a better understanding of this concept. I think that my early papers (1946, 1947, and 1957), on the relationship between the work function of metal surfaces and electron transfer reactions thereat to particles in solution, held me in good stead to be receptive to what Vayenas told me. As the electrode potential changes, so of course, does the work function at the interface, and gas metal reactions there involve adsorbed particles which have bonding to the surface. Whether electron transfer is complete in such a case, or whether the effect is on the desorption of radicals, the work function determines the strength of their bonding, and if one varies the work function by varying the electrode potential, one can vary the reaction rate at the interface. I got the idea. After that, it has been smooth sailing. Dr. Vayenas wrote a seminal article in Modern Aspects of Electrochemistry, Number 29, and brought the field into the public eye. It has since grown and its usefulness in chemical catalytic reactions has been demonstrated and verified worldwide.
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.
Download or read book 22nd European Symposium on Computer Aided Process Engineering written by David Bogle and published by Elsevier. This book was released on 2012-08-03 with total page 1484 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer aided process engineering (CAPE) plays a key design and operations role in the process industries. This conference features presentations by CAPE specialists and addresses strategic planning, supply chain issues and the increasingly important area of sustainability audits. Experts collectively highlight the need for CAPE practitioners to embrace the three components of sustainable development: environmental, social and economic progress and the role of systematic and sophisticated CAPE tools in delivering these goals. Contributions from the international community of researchers and engineers using computing-based methods in process engineering Review of the latest developments in process systems engineering Emphasis on a systems approach in tackling industrial and societal grand challenges
Download or read book Heterogeneous Catalysts written by Wey Yang Teoh and published by Wiley-VCH. This book was released on 2021-06-08 with total page 0 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.
Download or read book 21st European Symposium on Computer Aided Process Engineering written by and published by Elsevier. This book was released on 2011-06-10 with total page 2086 pages. Available in PDF, EPUB and Kindle. Book excerpt: The European Symposium on Computer Aided Process Engineering (ESCAPE) series presents the latest innovations and achievements of leading professionals from the industrial and academic communities. The ESCAPE series serves as a forum for engineers, scientists, researchers, managers and students to present and discuss progress being made in the area of computer aided process engineering (CAPE). European industries large and small are bringing innovations into our lives, whether in the form of new technologies to address environmental problems, new products to make our homes more comfortable and energy efficient or new therapies to improve the health and well being of European citizens. Moreover, the European Industry needs to undertake research and technological initiatives in response to humanity's "Grand Challenges," described in the declaration of Lund, namely, Global Warming, Tightening Supplies of Energy, Water and Food, Ageing Societies, Public Health, Pandemics and Security. Thus, the Technical Theme of ESCAPE 21 will be "Process Systems Approaches for Addressing Grand Challenges in Energy, Environment, Health, Bioprocessing & Nanotechnologies."
Download or read book Surface Chemistry and Catalysis written by Michalis Konsolakis and published by MDPI. This book was released on 2018-09-27 with total page 301 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a printed edition of the Special Issue "Surface Chemistry and Catalysis" that was published in Catalysts
Download or read book Multiscale Modeling of Traditional and Dynamic Heterogeneous Catalytic Processes written by Gerhard Robert Wittreich and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Heterogeneous catalysis is a key element in a global energy strategy that enables a lower energy route for the many chemical reactions essential to food production, fuels, pharmaceuticals, and other essential materials in our everyday lives. Modeling catalytic systems can inform the design of experiments, identify catalyst properties that optimize quantities-of-interest (QoI) for the discovery of new catalysts, and link catalyst properties to commercial reactor design. A comprehensive understanding of these reactions, achieved through multiscale modeling, is a vital step in establishing viable commercial processes. Additionally, a thorough understanding of the key elements comprising an effective model, efficiently and accurately parameterizing the model, and properly understanding and accounting for parametric uncertainty in models are essential for maximizing and quantifying the models' predictive ability.
Download or read book Applied Electrochemical Methods for Heterogeneous Catalysis written by Anton Tokarev and published by LAP Lambert Academic Publishing. This book was released on 2010-01 with total page 128 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the present work electrochemical methods, namely "cyclic voltammetry" and "in-situ catalyst potential measurements," were applied for ex-situ and in-situ studies of catalysts respectively. Lactose oxidation was used as a model reaction. The combination of these two electrochemical methods gives a possibility for continuous characterization of metal containing heterogeneous catalysts during all steps of their life cycle - from synthesis to complete deactivation. The purpose of the ex-situ approach was to develop a common electrochemical method to characterize all VIII group metal catalysts. General steps, which can be used for every platinum group metal without making any specification or requirements on their nature, were elaborated. Second electrochemical method related to catalyst potential measurements, can provide in-situ information about surface processes in heterogeneous catalytic reactions. Catalyst potential curves can be used to indicate different surface processes. The estimation can be done on the basis on typical patterns. The catalyst potential phenomenon was quantified applying the advanced kinetic expression based on proposed reaction mechanism.
Download or read book Carbon Dioxide Electrochemistry written by Marc Robert and published by Royal Society of Chemistry. This book was released on 2020-10-20 with total page 461 pages. Available in PDF, EPUB and Kindle. Book excerpt: Homogeneous and Heterogeneous Catalysis
Download or read book Computational Efforts Towards Efficient Catalyst Design in the Space of Oxygen Electrochemistry written by Raul Abram Flores and published by . This book was released on 2021 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Solid-state heterogeneous catalysts enable many of the predominant chemical reactions that drive modern society, and are critical in the chemical commodities, agriculture, and energy industries. Electrocatalysis is an important subclass of catalysis which utilizes the potential difference at electrode surfaces to drive electron transfer reactions to carry out chemical transformations. Of particular interest are the electrochemical reactions involving oxygen and water, the oxygen evolution reaction (OER) and the oxygen reduction reaction (ORR) which have applications in energy technologies such as fuel cell vehicles and the electrochemical production of hydrogen, a potential alternative to fossil fuel derived hydrogen fuel. The existential crisis presented by climate change compels us to decarbonize our energy infrastructure and phase out fossil fuels. Although these green electrochemical pathways, and the catalysts that drive them, have been well studied for decades, they have yet to become economically viable to compete with fossil fuels. One promising remedy is to increase the efficiency of these processes by developing new catalyst materials, and much effort has been expended in this area. Theoretical electronic structure simulations, via density functional theory, have become indispensable tools to accelerate the design of new catalyst materials by allowing for atomistic understanding of material properties. In the first part of this thesis, we demonstrate the use DFT simulations in modeling and understanding experimental catalyst systems. First, we investigate a two-dimensional metal-organic framework consisting of various metal centers (M) and a hexaaminobenzene functional unit (HAB) known as M-HAB for the ORR. Experimental and theoretical catalytic activity results for M-HAB are presented and are shown to be consistent with one another. Additionally, we show that the DFT simulations support a linker-mediated active site instead of a metal-center active site. Next, we present experiment-theory results on the OER behavior of doped iridium-oxide thin-film catalysts and thin-film catalysts of meta-stabilized Columbite IrO2. For the doped-IrO2 catalyst system, we help elucidate the role of the dopant atom on the binding of OER intermediate species. Simulations of the columbite-IrO2 system explore the facet dependence of catalytic activity and atomistic structural factors that account for this difference. In the last couple of chapters of this work, we explore machine learning and high-throughput workflow methods to continue our investigation into iridium-oxide catalysts for the OER. First, we report an active learning based crystal structure prediction algorithm for the purpose of efficiently finding stable polymorphic phases of IrO2 and IrO3. We show that IrOx polymorphs predominately adopt octahedral coordination motifs and we demonstrate that the more oxidized IrO3 stoichiometries exhibit elevated activity over the more conventional IrO2. Lastly, we extend the polymorph discovery story by reporting on a high-throughput OER dataset composed of IrOx surface slab models created from the bulk polymorphs of the previous section. We report the theoretical OER activity of a structurally diverse set of 500 IrOx surfaces and show that the variation in OER adsorption energies can be readily modeled with structurally derived features, including a coordination based effective oxidation state descriptor which can be readily calculated for unrelaxed surfaces.
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
Download or read book Construction and Reactivity of Pt Based Bi component Catalytic Systems written by Rentao Mu and published by Springer. This book was released on 2018-08-15 with total page 90 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this thesis, the author outlines the construction of active structure and modulation of catalytic reactivity of Pt-based bi-component catalysts, from the model systems to real supported catalysts. The thesis investigates the promotion effect of the second components on catalytic performance of Pt catalysts, and presents the reversible generation of the “sandwich-like” structure of Pt-Ni catalysts, containing both surface NiO1-X and subsurface Ni by alternating redox treatments at medium temperature. With the aid of single layer graphene, the dynamic process of chemical reactions occurring on the Pt(111) surface can be visualized using in-situ LEEM and DUV-PEEM techniques, the results of which are included here. The author reveals that the graphene layer exhibits a strong confinement effect on the chemistry of molecules underneath and the intercalated CO can desorb from the Pt surface around room temperature and in UHV, which may promote the CO oxidation confined under graphene.
Download or read book Catalysis in Electrochemistry written by Elizabeth Santos and published by John Wiley & Sons. This book was released on 2011-07-26 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis in Electrochemistry: From Fundamental Aspects to Strategies for Fuel Cell Development is a modern, comprehensive reference work on catalysis in electrochemistry, including principles, methods, strategies, and applications. It points out differences between catalysis at gas/surfaces and electrochemical interfaces, along with the future possibilities and impact of electrochemical science on energy problems. This book contributes both to fundamental science; experience in the design, preparation, and characterization of electrocatalytic materials; and the industrial application of electrocatalytic materials for electrochemical reactions. This is an essential resource for scientists globally in academia, industry, and government institutions.
Download or read book Flow Systems Integrating Heterogeneous Catalysts and Quinone Mediators Enable Power Generation and H2 promoted Electrosynthesis written by Mathew R. Johnson and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular redox mediators incorporated into electrochemical systems can enable a wide array of redox processes for energy storage and energy conversion applications. These mediators are oxidized or reduced at an electrode interface, are transported into the bulk solution, and are then regenerated through reaction with a chemical substrate (frequently in a catalyzed process). Mediators allow engagement of substrates that are otherwise transport-limited, such as those which are poorly soluble or bound to a solid. They also obviate the need for fast on-electrode kinetics for the terminal reagent. For these reasons, mediators are frequently encountered in biological systems (e.g., quinones in the Calvin cycle, cytochrome c in the electron transport chain) and are a critical component of redox flow batteries. Use of mediators also continues to provide opportunity for the development of new fuel cell technologies and electrosynthesis applications.This dissertation demonstrates the design and implementation of fuel cell systems with cathodic and anodic redox mediators, an electrosynthetic system utilizing mediators to enable hydrogen-driven cross-electrophile coupling, and non-PGM heterogeneous catalysts for mediator regeneration. It explores both conceptual similarities in the development of these systems and specific challenges for each. Chapter 1 of this work includes a preface for the non-expert, aimed at contextualizing this work for the taxpayers who funded much of it and for whom it will be made publicly available. This chapter will then introduce the field of mediator-driven electrocatalysis and will provide several examples of existing fuel cell and organic electrosynthesis systems intended to give the reader context for the innovations presented in subsequent chapters. It will briefly characterize the major components of flow systems designed for these applications. Chapter 2 will focus on two mediated fuel cell designs, one pairing a traditional hydrogen anode with a mediated cathode and the other demonstrating a dually mediated system. Chapter 3 will extend this concept from fuel cells to demonstrate that the same lessons can enable reductive synthesis of high-value, pharmaceutically relevant molecules using a mediated hydrogen anode. All of these systems make use of heterogeneous catalysts for chemical regeneration of mediator species, and so Chapter 4 will introduce the class of non-precious metal "M-N-C" catalysts. It will describe them, summarize their applications for organic chemistry, and then describe synthesis and characterization of several such materials, with an emphasis on lessons learned for further synthetic optimization. Appendix 1 will be appended to the main text and will recount two strategies that were explored for incorporating heterogeneous catalysts into a flow system without using small granular solids in a packed bed.
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.
