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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".
This book presents peer reviewed articles from The International Conference on Metallurgical Engineering and Centenary Celebration (METCENT 2023), held at Indian Institute of Technology (BHU) Varanasi, India from the 26-28th of October 2023. It covers wide areas of metallurgical and materials science, highlighting recent advancements in these areas, including but not limited to Advanced Steels, Computational Material Science, Recent Ferrous/Non-Ferrous Metallurgy Processes, Green Iron and Steel Making Technologies and others. METCENT 2023 provides a unique opportunity to all the Metallurgists, Materials Scientists, Academicians and Industry experts to share their experiences on this special occasion.
The new edition of the cornerstone text on electrochemistry Spans all the areas of electrochemistry, from the basicsof thermodynamics and electrode kinetics to transport phenomena inelectrolytes, metals, and semiconductors. Newly updated andexpanded, the Third Edition covers important new treatments, ideas,and technologies while also increasing the book's accessibility forreaders in related fields. Rigorous and complete presentation of the fundamentalconcepts In-depth examples applying the concepts to real-life designproblems Homework problems ranging from the reinforcing to the highlythought-provoking Extensive bibliography giving both the historical developmentof the field and references for the practicing electrochemist.
Although, the basic concept of a fuel cell is quite simple, creating new designs and optimizing their performance takes serious work and a mastery of several technical areas. PEM Fuel Cell Modeling and Simulation Using Matlab, provides design engineers and researchers with a valuable tool for understanding and overcoming barriers to designing and building the next generation of PEM Fuel Cells. With this book, engineers can test components and verify designs in the development phase, saving both time and money. Easy to read and understand, this book provides design and modelling tips for fuel cell components such as: modelling proton exchange structure, catalyst layers, gas diffusion, fuel distribution structures, fuel cell stacks and fuel cell plant. This book includes design advice and MATLAB and FEMLAB codes for Fuel Cell types such as: polymer electrolyte, direct methanol and solid oxide fuel cells. This book also includes types for one, two and three dimensional modeling and two-phase flow phenomena and microfluidics. *Modeling and design validation techniques *Covers most types of Fuel Cell including SOFC *MATLAB and FEMLAB modelling codes *Translates basic phenomena into mathematical equations
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.
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.
Mesoscale Modeling in Chemical Engineering, a volume in the Advances in Chemical Engineering series provides the reader with personal views of authorities in the field. Subjects covered are not limited to the classical chemical engineering disciplines, with contributions connecting chemical engineering to related scientific fields, thus providing new ideas for additional thought. The book balances well developed areas such as process industry, transformation of materials, energy, and environmental issues with areas where applications of chemical engineering are more recent or emerging. - Contains reviews by leading authorities in the respective areas - Presents Up-to-date reviews of latest techniques in modeling of catalytic processes - Includes a mix of US and European authors, as well as academic/industrial/research institute perspectives - Contains the critical connections between computation and experimental methods
From reviews of previous volumes: 'This volume continues the valuable service that has been rendered by the Modern Aspects series.'-Journal of Electroanalytical Chemistry 'Extremely well referenced and very readable....Maintains the overall high standards of the series.'-Journal of the American Chemical Society