Download or read book Computational Electrochemistry written by S. Paddison and published by The Electrochemical Society. This book was released on 2015-12-28 with total page 49 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Computational Electrochemistry written by Stephen J. Paddison and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Modern Aspects of Electrochemistry written by Brian E. Conway and published by Springer Science & Business Media. This book was released on 2006-04-18 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recognized experts present incisive analyses of both fundamental and applied problems in this continuation of a highly acclaimed series. Topics in Number 35 include: Impedance spectroscopy with specific applications to electrode processes involving hydrogen; Fundamentals and contemporary applications of electroless metal deposition; The development of computational electrochemistry and its application to electrochemical kinetics; Analysis of electrolyte solutions at high concentrations; Applications of the Born theory to solvent polarization by ions and its extensions to treatment of kinetics of ionic reactions. £/LIST£

Download or read book Atomic Scale Modelling of Electrochemical Systems written by Marko M. Melander and published by John Wiley & Sons. This book was released on 2021-09-09 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of including the electrode potential in the computational setup and fixed potential calculations within the framework of grand canonical density functional theory. It examines classical and quantum mechanical models for the solid-liquid interface and formation of an electrochemical double-layer using molecular dynamics and/or continuum descriptions. A thermodynamic description of the interface and reactions taking place at the interface as a function of the electrode potential is provided, as are novel ways to describe rates of heterogeneous electron transfer, proton-coupled electron transfer, and other electrocatalytic reactions. The book also covers multiscale modelling, where atomic level information is used for predicting experimental observables to enable direct comparison with experiments, to rationalize experimental results, and to predict the following electrochemical performance. Uniquely explains how to understand, predict, and optimize the properties and reactivity of electrochemical interfaces starting from the atomic scale Uses an engaging “tutorial style” presentation, highlighting a solid physicochemical background, computational implementation, and applications for different methods, including merits and limitations Bridges the gap between experimental electrochemistry and computational atomistic modelling Written by a team of experts within the field of computational electrochemistry and the wider computational condensed matter community, this book serves as an introduction to the subject for readers entering the field of atom-level electrochemical modeling, while also serving as an invaluable reference for advanced practitioners already working in the field.

Download or read book Electrocatalysis Computational Experimental and Industrial Aspects written by Carlos Fernando Zinola and published by CRC Press. This book was released on 2010-03-25 with total page 668 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electrocatalysis applications are employed in a large number of industries worldwide, ranging from old technologies such as galvanoplasty to the most up-to-date deployments involving ultracapacitators. Recognizing electrocatalysis as a useful interfacial approach to a dynamic interdisciplinary science, Electrocatalysis: Computational, Experimental,

Download or read book Proceedings of 4th International Conference on Electrochemistry 2018 written by ConferenceSeries and published by ConferenceSeries. This book was released on with total page 134 pages. Available in PDF, EPUB and Kindle. Book excerpt: June 11-12, 2018 Rome, Italy Key Topics Theoretical and Computational Electrochemistry, Physical and Analytical Electrochemistry, Photoelectrochemistry, Electrochemical Energy, Sensors, Organic and Bioelectrochemistry, Batteries and Energy Storage, Corrosion Science and Technology, Electronic Materials and Processing, Carbon Nanostructures, Dielectric Science and Materials, Electrochemical Electroless Deposition, Electrochemical Water Treatment, Electrochemical Surface Science, Electrochemical Engineering, Environmental Electrochemistry, Applied Electrochemistry, Inorganic Electrochemistry, Market Surveillance of Electrochemistry,

Download or read book Atomic Scale Modelling of Electrochemical Systems written by Marko M. Melander and published by John Wiley & Sons. This book was released on 2021-09-14 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of including the electrode potential in the computational setup and fixed potential calculations within the framework of grand canonical density functional theory. It examines classical and quantum mechanical models for the solid-liquid interface and formation of an electrochemical double-layer using molecular dynamics and/or continuum descriptions. A thermodynamic description of the interface and reactions taking place at the interface as a function of the electrode potential is provided, as are novel ways to describe rates of heterogeneous electron transfer, proton-coupled electron transfer, and other electrocatalytic reactions. The book also covers multiscale modelling, where atomic level information is used for predicting experimental observables to enable direct comparison with experiments, to rationalize experimental results, and to predict the following electrochemical performance. Uniquely explains how to understand, predict, and optimize the properties and reactivity of electrochemical interfaces starting from the atomic scale Uses an engaging “tutorial style” presentation, highlighting a solid physicochemical background, computational implementation, and applications for different methods, including merits and limitations Bridges the gap between experimental electrochemistry and computational atomistic modelling Written by a team of experts within the field of computational electrochemistry and the wider computational condensed matter community, this book serves as an introduction to the subject for readers entering the field of atom-level electrochemical modeling, while also serving as an invaluable reference for advanced practitioners already working in the field.

Download or read book Digital Simulation in Electrochemistry written by Dieter Britz and published by Springer. This book was released on 2016-05-09 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explains how the partial differential equations (pdes) in electroanalytical chemistry can be solved numerically. It guides the reader through the topic in a very didactic way, by first introducing and discussing the basic equations along with some model systems as test cases systematically. Then it outlines basic numerical approximations for derivatives and techniques for the numerical solution of ordinary differential equations. Finally, more complicated methods for approaching the pdes are derived. The authors describe major implicit methods in detail and show how to handle homogeneous chemical reactions, even including coupled and nonlinear cases. On this basis, more advanced techniques are briefly sketched and some of the commercially available programs are discussed. In this way the reader is systematically guided and can learn the tools for approaching his own electrochemical simulation problems. This new fourth edition has been carefully revised, updated and extended compared to the previous edition (Lecture Notes in Physics Vol. 666). It contains new material describing migration effects, as well as arrays of ultramicroelectrodes. It is thus the most comprehensive and didactic introduction to the topic of electrochemical simulation.

Download or read book Organic Electrochemistry written by Ole Hammerich and published by CRC Press. This book was released on 2015-09-22 with total page 1706 pages. Available in PDF, EPUB and Kindle. Book excerpt: Praise for the Fourth Edition"Outstanding praise for previous editions.the single best general reference for the organic chemist."-Journal of the Electrochemical Society"The cast of editors and authors is excellent, the text is, in general, easily readable and understandable, well documented, and well indexed those who purchase the book will be sa

Download or read book Modern Aspects of Electrochemistry written by Costas G. Vayenas and published by Springer Science & Business Media. This book was released on 2005-12-28 with total page 321 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume of Modern Aspects contains a remarkable spread of topics covered in an authoritative manner by some internationally renowned specialists. In a seminal chapter Drs. Babu, Oldfield and Wieckowski demonstrate eloquently the strength of electrochemical nuclear magnetic resonance (EC-NMR) to study in situ both sides of the electrochemical interface via the simultaneous use of and This powerful non-invasive technique brings new insights to both fundamental and practical key aspects of electrocatalysis, including the design of better anodes for PEM fuel cells. The recent impressive advances in the use of rigorous ab initio quantum chemical calculations in electrochemistry are described in a remarkable chapter by Marc Koper, one of the leading protagonists in this fascinating area. This lucid chapter is addressed to all electrochemists, including those with very little prior exposure to quantum chemistry, and demonstrates the usefulness of ab initio calculations, including density functional theory (DFT) methods, to understand several key aspects of fuel cell electrocatalysis at the molecular level. The most important macroscopic and statistical thermodynamic models developed to describe adsorption phenomena on electrodes are presented critically in a concise and authoritative chapter by Panos Nikitas. The reader is guided through the seminal contributions of Frumkin, Butler, Bockris, Guidelli and others, to the current state of the art adsorption isotherms, which are both rigorous, and in good agreement with experiment.

Download or read book Modern Aspects of Electrochemistry written by Ralph E. White and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume of Modern Aspects contains seven chapters. The major topics covered in the first six chapters of this volume include fundamentals of solid state electrochemistry; kinetics of electrochemical hydrogen entry into metals and alloys; oxidation of organics; fuel cells; electrode kinetics of trace-anion catalysis; nano structural analysis. The last chapter is a corrected version of chapter four from Volume 35. Faisal M. AI-faqeer and Howard W. Pickering begin the first chapter by going back to 1864 and Cailletet who found that some hydrogen evolved and was absorbed by iron when it was immersed in dilute sulfuric acid. The absorption of hydrogen into metals and alloys can lead to catastrophic failures of structures. They discuss the kinetics of electrochemical hydrogen entry into metals and alloys. In chapter three, Clyde L. Briant reviews the electrochemistry, corrosion and hydrogen embrittlement of unalloyed titanium. He begins by reviewing the basic electrochemistry and general corrosion of titanium. He also discusses pitting and galvanostatic corrosion followed by a review of hydrogen embrittlement emphasizing the formation of hydrides and the effect of these on titanium's mechanical properties. Christos Comninellis and Gy6rgy F6ti discuss the oxidative electrochemical processes of organics in chapter three. They begin by defining direct and indirect electrochemical oxidation of organics. They introduce a model that allows them to distinguish between active (strong) and non-active (weak) anodes. Different classes of organic compounds are used for kinetic models of organic oxidation at active and non-active type anodes.

Download or read book Developments in Electrochemistry written by Jang Ho Chun and published by BoD – Books on Demand. This book was released on 2012-11-21 with total page 136 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book "Developments in Electrochemistry" contains five feature articles in recent advanced electrochemistry. These selected feature articles emphasize physical phenomena rather than mathematical formalisms of electrochemistry. The topics represented in the book are: The phase-shift method and correlation constants for determining the electrochemical Frumkin, Langmuir, and Temkin adsorption isotherms at interfaces; Quantitative separation of an adsorption effect in the form of defined current probabilistic responses for catalyzed/inhibited electrode processes; A quick, simple, and non-invasive method to evaluate sudomotor dysfunctions; Cyclohexane-based liquid-biphasic systems for organic electrochemistry; Electrochemical transformation of white phosphorus as a way to compounds with phosphorus-hydrogen and phosphorus-carbon bonds. The work represented in this book will be useful, effective, and beneficial to physicists, chemists, surface scientists, material scientists, engineers, and especially electrochemists.

Download or read book Physical Multiscale Modeling and Numerical Simulation of Electrochemical Devices for Energy Conversion and Storage written by Alejandro A. Franco and published by Springer. This book was released on 2015-11-12 with total page 253 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this book is to review innovative physical multiscale modeling methods which numerically simulate the structure and properties of electrochemical devices for energy storage and conversion. Written by world-class experts in the field, it revisits concepts, methodologies and approaches connecting ab initio with micro-, meso- and macro-scale modeling of components and cells. It also discusses the major scientific challenges of this field, such as that of lithium-ion batteries. This book demonstrates how fuel cells and batteries can be brought together to take advantage of well-established multi-scale physical modeling methodologies to advance research in this area. This book also highlights promising capabilities of such approaches for inexpensive virtual experimentation. In recent years, electrochemical systems such as polymer electrolyte membrane fuel cells, solid oxide fuel cells, water electrolyzers, lithium-ion batteries and supercapacitors have attracted much attention due to their potential for clean energy conversion and as storage devices. This has resulted in tremendous technological progress, such as the development of new electrolytes and new engineering designs of electrode structures. However, these technologies do not yet possess all the necessary characteristics, especially in terms of cost and durability, to compete within the most attractive markets. Physical multiscale modeling approaches bridge the gap between materials’ atomistic and structural properties and the macroscopic behavior of a device. They play a crucial role in optimizing the materials and operation in real-life conditions, thereby enabling enhanced cell performance and durability at a reduced cost. This book provides a valuable resource for researchers, engineers and students interested in physical modelling, numerical simulation, electrochemistry and theoretical chemistry.

Download or read book Electrochemical Reduction of Carbon Dioxide written by Jinli Qiao and published by CRC Press. This book was released on 2016-07-06 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt: For Researchers, Students, Industrial Professionals, and ManufacturersElectrochemical Reduction of Carbon Dioxide: Fundamentals and Technologies is your guide to improved catalytic performance in the electrochemical reduction of carbon dioxide (CO2). Written by electrochemical energy scientists actively involved in environmental research and develo

Download or read book XL MEETING OF THE SPECIALIZED GROUP OF ELECTROCHEMISTRY OF THE ROYAL SPANISH SOCIETY OF CHEMISTRY written by CRISTINA MOZO-MULERO and published by Servicio de Publicaciones de la Universidad de Huelva. This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Este libro es la recopilación de resúmenes de las comunicaciones presentadas en formato Oral o Poster en el Congreso anual del Grupo de Electroquímica de la RSEQ, que este año es adem·s el Congreso Ibérico de Electroquímica al incluir también a la Sociedad Portuguesa de Electroquímica. Su publicación recopila lo mejor y mas reciente de la investigación que, sobre la disciplina electroquímica, se realiza en la penÌnsula ibérica. Tambien incluye los Trabajos Fin de Master de los alumnos del Master Interuniversitario de Electroquímica y los Proyectos de Tesis del programa de Doctorado relacionado, por lo que refleja el futuro más próximo de la electroquímica en nuestros países.

Download or read book Numerical Computation of Internal and External Flows The Fundamentals of Computational Fluid Dynamics written by Charles Hirsch and published by Elsevier. This book was released on 2007-07-18 with total page 696 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second edition of this book is a self-contained introduction to computational fluid dynamics (CFD). It covers the fundamentals of the subject and is ideal as a text or a comprehensive reference to CFD theory and practice. - New approach takes readers seamlessly from first principles to more advanced and applied topics. - Presents the essential components of a simulation system at a level suitable for those coming into contact with CFD for the first time, and is ideal for those who need a comprehensive refresher on the fundamentals of CFD. - Enhanced pedagogy features chapter objectives, hands-on practice examples and end of chapter exercises. - Extended coverage of finite difference, finite volume and finite element methods. - New chapters include an introduction to grid properties and the use of grids in practice. - Includes material on 2-D inviscid, potential and Euler flows, 2-D viscous flows and Navier-Stokes flows to enable the reader to develop basic CFD simulations. - Includes best practice guidelines for applying existing commercial or shareware CFD tools.

Download or read book Electrochemical Micromachining for Nanofabrication MEMS and Nanotechnology written by Bijoy Bhattacharyya and published by William Andrew. This book was released on 2015-04-10 with total page 297 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electrochemical Micromachining for Nanofabrication, MEMS and Nanotechnology is the first book solely dedicated to electrochemical micromachining (EMM). It begins with fundamentals, techniques, processes, and conditions, continuing with in-depth discussions of mechanisms of material removal, including an empirical model on the material removal rate for EMM (supported by experimental validation). The book moves next to construction-related features of EMM setup suitable for industrial micromachining applications, varying types of EMM, and the latest developments in the improvement of EMM setup. Further, it covers power supply, roll of electrolyte, and other major factors influencing EMM processes, and reports research findings concerning the improvement of machining accuracy and efficiency. Finally, the book devotes a chapter to the design and development of micro-tools, one of the most vital components in EMM. - Covers the generation of micro features used for advanced engineering of materials for fabrication of MEMS, microsystems and other micro-engineering applications - Explores the trend of decreasing size of fabricated devices, reflected in coverage of generation of high-precision nano-features on metal and semiconductors utilizing SPM, STM, and AFM, and nanotechnology aspects of EMM - Describes nanofabrication utilizing anodic dissolutions for mass manufacturing by overcoming obstacles utilizing electrochemical microsystem technology (EMST) and electrochemical nanotechnology (ENT)