Simulation of Electrochemical Processes II PDF Download

Author: V.G. DeGiorgi
Publisher: WIT Press
ISBN: 1845640713
Category : Technology & Engineering
Languages : en
Pages : 369

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Book Description
This book contains papers presented at the Second International Conference in this successful series, which presents and discusses the state-of-the-art on the computer simulation of corrosion, electrochemical processes and the electrical and electromagnetic fields associated with them.Modern industry applies a wide range of electrochemical processes to protect against corrosion, provide surface treatments and to manufacture products. This book focuses on the computer modelling of these industrial processes and techniques by examining the developments of computational models and their application in practice.Featured topics include: Cathodic Protection Systems; Modelling Methodologies; Electrodeposition and Electroforming; Modelling of Coatings; Modelling Stress Corrosion, Cracking and Corrosion Fatigue; Modelling and Corrosion of Surface Coatings; Interference and Signature Control; Anodic Protection; Electrocoating and Plating; Optimisation of Control Systems; Detection and Monitoring of Corrosion; Measurement Techniques; Fuel on Photovoltaic Cells; Electrolysis Reactors; Comparison of Experimental Measurements and Computer results, Case Studies.

Author: D. Britz
Publisher: Springer Science & Business Media
ISBN: 3662218194
Category : Science
Languages : en
Pages : 131

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Book Description
This book is the result of frustration. When I first became interested in digi tal simulation in 1967 (I didn't know the name then), there were no texts to tell one the how of it. This has not changed greatly since then; it is significant that just about all publications about the technique refer to a chapter by Feldberg in an electrochemical series, written in 1969. When I ran a course on the method recently, it became evident that this chapter is not enough for the raw beginner. Neither does he/she get much help from the mathematical textbooks which, at best, leave the special electrochemical aspects (if not a lot else) to one's imagination. This book, then, is written for practical digital simulators who do not have a friend who will tell them how to do it. The beauty of the digital approach is that one can separate out various dynamic processes taking place simultaneously. I have structured the book in this way. The major computing usually lies in the diffusion of substance, while the major program ming effort (and preparatory paper work) goes into the boundary conditions. These are treated separately.

Author: Marko M. Melander
Publisher: John Wiley & Sons
ISBN: 1119605636
Category : Science
Languages : en
Pages : 372

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Book Description
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.

Author: Richard C. Alkire
Publisher: John Wiley & Sons
ISBN: 3527680454
Category : Science
Languages : en
Pages : 315

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Book Description
Catalysts speed up a chemical reaction or allow for reactions to take place that would not otherwise occur. The chemical nature of a catalyst and its structure are crucial for interactions with reaction intermediates. An electrocatalyst is used in an electrochemical reaction, for example in a fuel cell to produce electricity. In this case, reaction rates are also dependent on the electrode potential and the structure of the electrical double-layer. This work provides a valuable overview of this rapidly developing field by focusing on the aspects that drive the research of today and tomorrow. Key topics are discussed by leading experts, making this book a must-have for many scientists of the field with backgrounds in different disciplines, including chemistry, physics, biochemistry, engineering as well as surface and materials science. This book is volume XIV in the series "Advances in Electrochemical Sciences and Engineering".

Author: C. A. Brebbia
Publisher: WIT Press
ISBN: 1845640802
Category : Technology & Engineering
Languages : en
Pages : 465

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Book Description
Until recently, engineering materials could be characterized successfully using relatively simple testing procedures. As materials technology advances, interest is growing in materials possessing complex meso-, micro- and nano-structures, which to a large extent determine their physical properties and behaviour. The purposes of materials modelling are many: optimization, investigation of failure, simulation of production processes, to name but a few. Modelling and characterisation are closely intertwined, increasingly so as the complexity of the material increases. Characterisation, in essence, is the connection between the abstract material model and the real-world behaviour of the material in question. Characterisation of complex materials therefore may require a combination of experimental techniques and computation. This book publishes papers presented at the Third International Conference on Computational Methods and Experiments in Material Characterisation.Topics covered include: Composites; Ceramics; Alloys; Cements and Cement Based Materials; Biomaterials; Thin Films and Coatings; Advanced Materials; Imaging Analysis; Thermal Analysis; New Methods; Surface Chemistry, Nano Indentation; Continuum Methods; Particle Models; Damage Mechanics; Innovative Techniques; Stochastic Methods.

Author: Alejandro A. Franco
Publisher: Springer
ISBN: 1447156773
Category : Technology & Engineering
Languages : en
Pages : 253

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Book Description
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.

Author: C. A. Brebbia
Publisher: WIT Press
ISBN: 1845641922
Category : Technology & Engineering
Languages : en
Pages : 209

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Book Description
Focusing on the computer modelling of these industrial processes and techniques, together with their associated electric fields, this book contains papers presented at the Third International Conference on the Simulation of Electrochemical Processes.

Author: Electrochemical Society. Industrial Electrolysis and Electrochemical Engineering Division
Publisher: The Electrochemical Society
ISBN: 9781566772044
Category : Mathematics
Languages : en
Pages : 386

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Book Description

Author: Richard Guy Compton
Publisher: World Scientific
ISBN: 1783263261
Category : Science
Languages : en
Pages : 260

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Book Description
This is the first textbook in the field of electrochemistry that will teach experimental electrochemists how to carry out simulation of electrode processes. Processes at both macro- and micro-electrodes are examined and the simulation of both diffusion-only and diffusion-convection processes are addressed. The simulation of processes with coupled homogeneous kinetics and at microelectrode arrays are further discussed. Over the course of the book the reader's understanding is developed to the point where they will be able to undertake and solve research-level problems. The book leads the reader through from a basic understanding of the principles underlying electrochemical simulation to the development of computer programs which describe the complex processes found in voltammetry.This is the third book in the “Understanding Voltammetry” series, published with Imperial College Press and written by the Compton group. Other books in the series include “Understanding Voltammetry”, written by Richard G Compton with Craig Banks and also “Understanding Voltammetry: Problems and Solutions” (2012) written by Richard G Compton with Christopher Batchelor-McAuley and Edmund Dickinson. These are and continue to be successful textbooks for graduates in electrochemistry and electroanalytical studies.

Author: Mordechay Schlesinger
Publisher: Springer Science & Business Media
ISBN: 038749586X
Category : Science
Languages : en
Pages : 534

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Book Description
The present volume is the second in a two-volume set dealing with modelling and numerical simulations in electrochemistry. Emphasis is placed on the aspect of nanoelectrochemical issues. It seems appropriate at this juncture to mention the n- growing body of opinion in some circles that George Box was right when he stated, three decades ago, that “All models are wrong, but some are useful”. Actually, when the statement itself was made it would have been more appropriate to say that “All models are inaccurate but most are useful nonetheless”. At present, however, the statement, as it was made, is far more appropriate and closer to the facts than ever before. Currently, we are in the midst of the age of massively abundant data. Today’s philosophy seems to be that we do not need to know why one piece of information is better than another except through the statistics of incoming and outgoing links between information and this is good enough. It is why, both in principle and in practice, one can translate between two languages, without knowledge of either. While none of this can be ignored, and it may even be true that “All models are wrong and increasingly you can succeed without them” the traditional approach of scienti?c modelling is still the order of the day. That approach may be stated as hypothesize – measure – model – test. It is in this light that the present volume should be viewed.