Multi Scale Simulations Of Electrochemical Systems
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Multi Scale Simulations Of Electrochemical Systems
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Author : Vijay Ramani
language : en
Publisher: The Electrochemical Society
Release Date : 2007-09
Multi Scale Simulations Of Electrochemical Systems written by Vijay Ramani and has been published by The Electrochemical Society this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-09 with Science categories.
The papers included in this issue of ECS Transactions were originally presented in the symposium ¿Multi-Scale Simulations of Electrochemical Systems¿, held during the 211th meeting of The Electrochemical Society, in Chicago, Illinois, from May 6 to 11, 2007.
Multiscale Simulations Of Electrochemistry Systems Computational Aspects
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Author : V. Subramanian
language : en
Publisher: The Electrochemical Society
Release Date : 2008-10
Multiscale Simulations Of Electrochemistry Systems Computational Aspects written by V. Subramanian and has been published by The Electrochemical Society this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-10 with Science categories.
The papers included in this issue of ECS Transactions were originally presented in the symposium ¿Multiscale Simulations of Electrochemistry Systems ¿ Computational Aspects¿, held during the 213th meeting of The Electrochemical Society, in Phoenix, Arizona from May 18 to 23, 2008.
Electrocatalysis
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Author : Jacek Lipkowski
language : en
Publisher: John Wiley & Sons
Release Date : 1998-04-13
Electrocatalysis written by Jacek Lipkowski and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998-04-13 with Science categories.
A comprehensive review of advances in one of today's most technologically important research fields. Spurred on by society's increasingly urgent demand for an inexpensive, environment-friendly alternative to the internal combustion engine, research into electrocatalytic fuel cells has yielded many exciting advances in the past few years. This rapid rate of progress, however, has created a daunting challenge for anyone attempting to track the important new trends in electrocatalysis by sorting through the huge and rapidly growing body of world literature in the field. Electrocatalysis was designed to save scientists hours of arduous legwork by providing an authoritative review of the most important recent advances in all technologically relevant aspects of electrocatalysis. Leading researchers from North America, Europe, and the Far East share what they know about an array of related topics, including: * Electrocatalysis of hydrogen and oxygen electrode reactions * Electrooxidation of small organic molecules * Design and synthesis of new electrocatalytic materials * The distribution and storage of hydrogen in metal hydrides * Hydrogenation of organic compounds as a means of hydrogen storage * Electron, ion, and atom transfer reactions * Influence of the double-layer structure on the rate of charge transfer * A unified theory of electron and ion transfer reactions at metal electrodes. Electrocatalysis is an indispensable working resource for electrochemists, chemical engineers, surface scientists, and materials scientists.
Multiscale Simulations For Electrochemical Devices
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Author : Ryoji Asahi
language : en
Publisher: CRC Press
Release Date : 2020-01-03
Multiscale Simulations For Electrochemical Devices written by Ryoji Asahi and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-01-03 with Science categories.
Environmental protection and sustainability are major concerns in today’s world, and a reduction in CO2 emission and the implementation of clean energy are inevitable challenges for scientists and engineers today. The development of electrochemical devices, such as fuel cells, Li-ion batteries, and artificial photosynthesis, is vital for solving environmental problems. A practical device requires designing of materials and operational systems; however, a multidisciplinary subject covering microscopic physics and chemistry as well as macroscopic device properties is absent. In this situation, multiscale simulations play an important role. This book compiles and details cutting-edge research and development of atomistic, nanoscale, microscale, and macroscale computational modeling for various electrochemical devices, including hydrogen storage, Li-ion batteries, fuel cells, and artificial photocatalysis. The authors have been involved in the development of energy materials and devices for many years. In each chapter, after reviewing the calculation methods commonly used in the field, the authors focus on a specific computational approach that is applied to a realistic problem crucial for device improvement. They introduce the simulation technique not only as an analysis tool to explain experimental results but also as a design tool in the scale of interest. At the end of each chapter, a future perspective is added as a guide for the extension of research. Therefore, this book is suitable as a textbook or a reference on multiscale simulations and will appeal to anyone interested in learning practical simulations and applying them to problems in the development of frontier and futuristic electrochemical devices.
Physical Multiscale Modeling And Numerical Simulation Of Electrochemical Devices For Energy Conversion And Storage
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Author : Alejandro A. Franco
language : en
Publisher: Springer
Release Date : 2015-11-12
Physical Multiscale Modeling And Numerical Simulation Of Electrochemical Devices For Energy Conversion And Storage written by Alejandro A. Franco and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-11-12 with Technology & Engineering categories.
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.
Multiscale Modelling And Simulation
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Author : Sabine Attinger
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Multiscale Modelling And Simulation written by Sabine Attinger and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Mathematics categories.
In August 2003, ETHZ Computational Laboratory (CoLab), together with the Swiss Center for Scientific Computing in Manno and the Universit della Svizzera Italiana (USI), organized the Summer School in "Multiscale Modelling and Simulation" in Lugano, Switzerland. This summer school brought together experts in different disciplines to exchange ideas on how to link methodologies on different scales. Relevant examples of practical interest include: structural analysis of materials, flow through porous media, turbulent transport in high Reynolds number flows, large-scale molecular dynamic simulations, ab-initio physics and chemistry, and a multitude of others. Though multiple scale models are not new, the topic has recently taken on a new sense of urgency. A number of hybrid approaches are now created in which ideas coming from distinct disciplines or modelling approaches are unified to produce new and computationally efficient techniques
Atomic Scale Modelling Of Electrochemical Systems
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Author : Marko M. Melander
language : en
Publisher: John Wiley & Sons
Release Date : 2021-09-09
Atomic Scale Modelling Of Electrochemical Systems written by Marko M. Melander and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-09-09 with Science categories.
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.
Electrochemical Surface Modification
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Author : Richard C. Alkire
language : en
Publisher: John Wiley & Sons
Release Date : 2008-11-21
Electrochemical Surface Modification written by Richard C. Alkire and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-11-21 with Science categories.
In this topical volume, the authors provide in-depth coverage of the vital relationship between electrochemistry and the morphology of thin films and surfaces. Clearly divided into four major sections, the book covers nanoscale dielectric films for electronic devices, superconformal film growth, electrocatalytic properties of transition metal macrocycles, and the use of synchrotron techniques in electrochemistry. All the chapters offer a concise introduction to the relevant topic, as well as supplying numerous references for easy access to further reading and the original literature. The result is must-have reading for electrochemists, physical and surface chemists and physicists, as well as materials scientists and engineers active in the field of spectroscopic methods in electrochemistry.
Multiscale Simulation And Design
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Author : Guy B. Marin
language : en
Publisher: Academic Press
Release Date : 2011-06-28
Multiscale Simulation And Design written by Guy B. Marin and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-06-28 with Computers categories.
Annotation Written by leading industry experts and scholars, this volume reviews and analyzes recent developments in the field of multiscale simulation.
Multiscale Simulation Approach For Battery Production Systems
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Author : Malte Schönemann
language : en
Publisher: Springer
Release Date : 2017-01-05
Multiscale Simulation Approach For Battery Production Systems written by Malte Schönemann and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-01-05 with Technology & Engineering categories.
Addressing the challenge of improving battery quality while reducing high costs and environmental impacts of the production, this book presents a multiscale simulation approach for battery production systems along with a software environment and an application procedure. Battery systems are among the most important technologies of the 21st century since they are enablers for the market success of electric vehicles and stationary energy storage solutions. However, the performance of batteries so far has limited possible applications. Addressing this challenge requires an interdisciplinary understanding of dynamic cause-effect relationships between processes, equipment, materials, and environmental conditions. The approach in this book supports the integrated evaluation of improvement measures and is usable for different planning horizons. It is applied to an exemplary battery cell production and module assembly in order to demonstrate the effectiveness and potential benefits of the simulation.