Author: S. Paddison
Publisher: The Electrochemical Society
ISBN: 1607686511
Category : Science
Languages : en
Pages : 49

Get Book Here

Book Description

Author: Brian E. Conway
Publisher: Springer Science & Business Media
ISBN: 0306476045
Category : Science
Languages : en
Pages : 344

Get Book Here

Book Description
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£

Author: Stephen J. Paddison
Publisher:
ISBN: 9781623322939
Category :
Languages : en
Pages :

Get Book Here

Book Description

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

Get Book Here

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: Carlos Fernando Zinola
Publisher: CRC Press
ISBN: 1420045458
Category : Science
Languages : en
Pages : 668

Get Book Here

Book Description
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,

Author: ConferenceSeries
Publisher: ConferenceSeries
ISBN:
Category :
Languages : en
Pages : 134

Get Book Here

Book Description
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,

Author: Marko M. Melander
Publisher: John Wiley & Sons
ISBN: 111960561X
Category : Science
Languages : en
Pages : 372

Get Book Here

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: Dieter Britz
Publisher: Springer
ISBN: 3319302922
Category : Science
Languages : en
Pages : 500

Get Book Here

Book Description
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.

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

Get Book Here

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: Ole Hammerich
Publisher: CRC Press
ISBN: 142008402X
Category : Science
Languages : en
Pages : 1706

Get Book Here

Book Description
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