Multiscale Simulations For Electrochemical Devices


Multiscale Simulations For Electrochemical Devices
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Multiscale Simulations For Electrochemical Devices


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


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 Simulations For Electrochemical Devices


Multiscale Simulations For Electrochemical Devices
DOWNLOAD
FREE 30 Days

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.



Multi Scale Modeling Of Batteries And Supercapacitors


Multi Scale Modeling Of Batteries And Supercapacitors
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Author : Alejandro Franco
language : en
Publisher: John Wiley & Sons
Release Date : 2021-12-21

Multi Scale Modeling Of Batteries And Supercapacitors written by Alejandro Franco 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 2021-12-21 with Science categories.


This book addresses the topic of modeling and numerical simulation of electrochemical devices type batteries and supercapacitors through various theoretical approaches, each aiming a description of physico-chemical phenomena occurring at different temporal and spatial scales. The application of these methods to the analysis of experimental characterization and interpretation of redox and transport mechanisms occurring in current electrochemical devices is illustrated with concrete examples in each Section. Special attention is given to the application of some of these approaches to the simulation of manufacturing composite electrodes and the technical multiscale modeling which allow, as their name suggests, to take into account within the same formalism of events occurring at different scales. These emerging methods aim to translate the microscopic properties of the various elements used in electrochemical devices at the macroscopic behavior of the whole cell in operating conditions. All the available methods and methodological bolts remaining to be exercised are also discussed.



Boosting Polymer Electrolyte Membrane Fuel Cells From Computational Modeling


Boosting Polymer Electrolyte Membrane Fuel Cells From Computational Modeling
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Author : Alejandro A. Franco
language : en
Publisher: Academic Press
Release Date : 2018-01-15

Boosting Polymer Electrolyte Membrane Fuel Cells From Computational Modeling written by Alejandro A. Franco and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-01-15 with Computers categories.


Hydrogen Energy and Fuel Cell Primers is a series of concise books that present those coming into this broad and multidisciplinary field the most recent advances in each of its particular topics. Its volumes bring together information that has thus far been scattered in many different sources under one single title, which makes them a useful reference for industry professionals, researchers and graduate students, especially those starting in a new topic of research. This volume, Boosting Polymer Electrolyte Membrane Fuel Cells from Computational Modeling, explores the use of multiscale computational modeling tools for the design and optimization of PEM fuel cells. Multiscale modeling is a rapidly emerging simulation approach which can potentially boost the R&D on PEMFCs through the development of an understanding of mechanisms and processes occurring at multiple spatio-temporal scales at multiple levels of materials, such as catalyst, catalyst support and ionomer. The book discusses concrete success stories on the application of this approach and their specific outcomes. It reviews the latest progresses in the field, including some contributions from the author himself. Special focus is given to multiscale modeling of degradation mechanisms and the durability prediction of the cells, as well as water transport and membrane degradation. Prior knowledge of electrochemistry and mathematics is assumed. Explores the available tools for multiscale computational modelling applied to the design optimization of PEM fuel cells through Discusses real world applications and the latest progresses in the field Includes modelling of degradation mechanisms and durability prediction



Multiscale Simulations Of Electrochemistry Systems Computational Aspects


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.



Multi Scale Simulations Of Electrochemical Systems


Multi Scale Simulations Of Electrochemical Systems
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Author : V. Ramani
language : en
Publisher: Curran Associates Incorporated
Release Date : 2008-01-29

Multi Scale Simulations Of Electrochemical Systems written by V. Ramani and has been published by Curran Associates Incorporated this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-01-29 with Science categories.




Advances In Batteries For Medium And Large Scale Energy Storage


Advances In Batteries For Medium And Large Scale Energy Storage
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Author : C Menictas
language : en
Publisher: Elsevier
Release Date : 2014-12-09

Advances In Batteries For Medium And Large Scale Energy Storage written by C Menictas and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-12-09 with Technology & Engineering categories.


As energy produced from renewable sources is increasingly integrated into the electricity grid, interest in energy storage technologies for grid stabilisation is growing. This book reviews advances in battery technologies and applications for medium and large-scale energy storage. Chapters address advances in nickel, sodium and lithium-based batteries. Other chapters review other emerging battery technologies such as metal-air batteries and flow batteries. The final section of the book discuses design considerations and applications of batteries in remote locations and for grid-scale storage. Reviews advances in battery technologies and applications for medium and large-scale energy storage Examines battery types, including zing-based, lithium-air and vanadium redox flow batteries Analyses design issues and applications of these technologies



Direct Alcohol Fuel Cells


Direct Alcohol Fuel Cells
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Author : Horacio R. Corti
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-12-02

Direct Alcohol Fuel Cells written by Horacio R. Corti 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 2013-12-02 with Science categories.


Direct Alcohol Fuel Cells: Materials, Performance, Durability and Applications begins with an introductory overview of direct alcohol fuel cells (DAFC); it focuses on the main goals and challenges in the areas of materials development, performance, and commercialization. The preparation and the properties of the anodic catalysts used for the oxidation of methanol, higher alcohols, and alcohol tolerant cathodes are then described. The membranes used as proton conductors in DAFC are examined, as well as alkaline membranes, focusing on the electrical conductivity and alcohol permeability. The use of different kinds of carbon materials as catalyst supports, gas diffusion layers, and current collectors in DAFC is also discussed. State of the art of the modeling is used to estimate performance and durability. The closing chapter reviews the use of DAFC in portable equipment and mobile devices and features a detailed discussion on the mechanisms of component degradation which limits their durability. This book is written to facilitate the understanding of DAFC technology, applications, and future challenges. It is an excellent introduction for electrochemical and material engineers interested in small fuel cells as portable energy sources, scientists focused on materials science for energy production and storage, as well as policy-makers in the area of renewable energies.



Li S Batteries The Challenges Chemistry Materials And Future Perspectives


Li S Batteries The Challenges Chemistry Materials And Future Perspectives
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Author : Demir-cakan Rezan
language : en
Publisher: #N/A
Release Date : 2017-06-09

Li S Batteries The Challenges Chemistry Materials And Future Perspectives written by Demir-cakan Rezan and has been published by #N/A this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-06-09 with Science categories.


Lithium-sulfur (Li-S) batteries give us an alternative to the more prevalent lithium-ion (Li-ion) versions, and are known for their observed high energy densities. Systems using Li-S batteries are in early stages of development and commercialization however could potentially provide higher, safer levels of energy at significantly lower cost. In this book the history, scientific background, challenges and future perspectives of the lithium-sulfur system are presented by experts in the field. Focus is on past and recent advances of each cell compartment responsible for the performance of the Li-S battery, and includes analysis of characterization tools, new designs and computational modeling. As a comprehensive review of current state-of-play, it is ideal for undergraduates, graduate students, researchers, physicists, chemists and materials scientists interested in energy storage, material science and electrochemistry.