Download or read book Multiscale Modelling and Simulation of Flow Batteries written by T.S. Zhao and published by Academic Press. This book was released on 2022-11-15 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multiscale Modelling and Simulation of Flow Batteries provides an in-depth understanding of the flow battery renewable energy storage devices most suitable for large-scale stationary energy storage and the optimization of its performance at microscopic, mesoscopic, and macroscopic levels. A comprehensive description of multiscale modeling and simulation strategies in flow batteries with a critical review of the advances in this rapidly developing field in self-contained chapters for those interested in different modeling approaches. Designed in sections according to the required accuracy, available computational capacity, and interested battery metrics, this reference features a tutorial on modeling macroscopic battery performance with the step-by-step settings and sample programming flowchart. With all aspects of flow battery modeling and multiscale modeling strategies and simulations, from the kinetics of active species to whole battery performance, this book is beneficial to researchers majoring in engineering and a modeling paradigm for those working on other electrochemical systems. Uniquely offers tutorial on modeling macroscopic battery performance using commercial software Includes source code for mesoscopic simulation of electrolyte flows in the porous electrode Examples input script to calculate microscopic kinetics of active species using open-source software

Download or read book Multiscale Simulation Approach for Battery Production Systems written by Malte Schönemann and published by Springer. This book was released on 2017-01-05 with total page 187 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Physical Multiscale Modeling and Numerical Simulation of Electrochemical Devices for Energy Conversion and Storage written by Alejandro A. Franco and published by Springer. This book was released on 2015-11-12 with total page 253 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Multiscale Modeling Simulation and Design From Conventional Methods to the Latest in Data Science written by J. N. Harb and published by The Electrochemical Society. This book was released on 2018-05-04 with total page 95 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Multiscale Modelling and Simulation written by Sabine Attinger and published by Springer Science & Business Media. This book was released on 2004-07-12 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: In August 2003, ETHZ Computational Laboratory (CoLab), together with the Swiss Center for Scientific Computing in Manno and the Università 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.

Download or read book Multiscale Modeling Reformulation and Efficient Simulation of Lithium ion Batteries written by Paul Wesley Clairday Northrop and published by . This book was released on 2014 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lithium-ion batteries are ubiquitous in modern society, ranging from relatively low-power applications, such as cell phones, to very high demand applications such as electric vehicles and grid storage. The higher power and energy density of lithium-ion batteries compared to other forms of electrochemical energy storage makes them very popular in such a wide range of applications. In order to engineer improved battery design and develop better control schemes, it is important to understand internal and external battery behavior under a variety of possible operating conditions. This can be achieved using physical experiments, but those can be costly and time consuming, especially for life-studies which can take years to perform. Here using mathematical models based on porous electrode theory to study the internal behavior of lithium-ion batteries is examined. As the physical phenomena which govern battery performance are described using several nonlinear partial differential equations, simulating battery models can quickly become computationally expensive. Thus, much of this work focuses on reformulating the battery model to improve simulation efficiency, allowing for use to solve problems which require many iterations to converge (e.g. optimization), or in applications which have limited computational resources (e.g. control). Computational time is improved while maintaining accuracy by using a coordinate transformation and orthogonal collocation to reduce the number of equations which must be solved using the method of lines. Orthogonal collocation is a spectral method which approximates all dependent variables as a series solution of trial functions. This approach discretizes the spatial derivatives with higher order accuracy than standard finite difference approach. The coefficients are determined by requiring the governing equation be satisfied at specified collocation points, resulting in a system of differential algebraic equations (DAEs) which must be solved with time as the only differential variable. The system of DAEs can be solved using standard time-adaptive integrating solvers. The error and simulation time of the battery model of orthogonal collocation is analyzed. The improved computational efficiency allows for more physical phenomena to be considered in the reformulated model. Lithium-ion batteries exposed to high temperatures can lead to internal damage and capacity fade. In extreme cases this can lead to thermal runaway, a dangerous scenario in which energy is rapidly released. In the other end of the temperature spectrum, low temperatures can significantly impede performance by increasing diffusion resistance. Although accounting for thermal effects increases the computational cost, the model reformulation allows for these important phenomena to be considered in single cell as well as 2D and multicell stack battery models. The growth of the solid electrolyte interface (SEI) layer contributes to capacity fade by means of a side reaction which removes lithium from the system irreversibly as well as increasing the resistance of the transfer lithium-ion from the electrolyte to the active material. As the reaction kinetics are not well understood, several proposed mechanisms are considered and implemented into the continuum reformulated model. The effects of SEI layer growth on a lithium-ion cell over 10,000 cycles is simulated and analyzed. Furthermore, a kinetic Monte Carlo model is developed and implemented to study the heterogeneous growth of the solid electrolyte layer. This is a stochastic approach which considers lithium-ion diffusion, intercalation, and side reactions. As millions of individual time steps may be performed for a single cycle, it is very computationally expensive, but allows for simulation of surface phenomena which are ignored in continuum models.

Download or read book New Paradigms in Flow Battery Modelling written by Akeel A. Shah and published by Springer Nature. This book was released on 2023-08-28 with total page 389 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive review of the latest modelling developments in flow batteries, as well as some new results and insights. Flow batteries have long been considered the most flexible answer to grid scale energy storage, and modelling is a key component in their development. Recent modelling has moved beyond macroscopic methods, towards mesoscopic and smaller scales to select materials and design components. This is important for both fundamental understanding and the design of new electrode, catalyst and electrolyte materials. There has also been a recent explosion in interest in machine learning for electrochemical energy technologies. The scope of the book includes these latest developments and is focused on advanced techniques, rather than traditional modelling paradigms. The aim of this book is to introduce these concepts and methods to flow battery researcher, but the book would have a much broader appeal since these methods also employed in other battery and fuel cell systems and far beyond. The methods will be described in detail (necessary fundamental material in Appendices). The book appeals to graduate students and researchers in academia/industry working in electrochemical systems, or those working in computational chemistry/machine learning wishing to seek new application areas.

Download or read book Flow Batteries written by Christina Roth and published by John Wiley & Sons. This book was released on 2022-12-06 with total page 1510 pages. Available in PDF, EPUB and Kindle. Book excerpt: Flow Batteries The premier reference on flow battery technology for large-scale, high-performance, and sustainable energy storage From basics to commercial applications, Flow Batteries covers the main aspects and recent developments of (Redox) Flow Batteries, from the electrochemical fundamentals and the materials used to their characterization and technical application. Edited by a team of leading experts, including the “founding mother of vanadium flow battery technology” Maria Skyllas-Kazacos, the full scope of this revolutionary technology is detailed, including chemistries other than vanadium and organic flow batteries. Other key topics covered in Flow Batteries include: Flow battery computational modeling and simulation, including quantum mechanical considerations, cell, stack, and system modeling, techno-economics, and grid behavior A comparison of the standard vanadium flow battery variant with new and emerging flow batteries using different chemistries and how they will change the field Commercially available flow batteries from different manufacturers, their technology, and application ranges The pivotal role of flow batteries in overcoming the global energy crisis Flow Batteries is an invaluable resource for researchers and engineers in academia and industry who want to understand and work with this exciting new technology and explore the full range of its current and future applications.

Download or read book Multiscale Simulation of Transport Phenomena in Semi solid Flow Batteries written by Stephen Anthony Burrows and published by . This book was released on 2017 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Multi scale Modeling of Batteries and Supercapacitors written by Alejandro Franco and published by John Wiley & Sons. This book was released on 2021-12-21 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Polymer Electrolyte Fuel Cells written by Alejandro A. Franco and published by CRC Press. This book was released on 2013-07-09 with total page 618 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the recent research progress on the fundamental understanding of the materials degradation phenomena in PEFC, for automotive applications. On a multidisciplinary basis, through contributions of internationally recognized researchers in the field, this book provides a complete critical review on crucial scientific topics related to PEFC materials degradation, and ensures a strong balance between experimental and theoretical analysis and preparation techniques with several practical applications for both the research and the industrial communities.

Download or read book MOdelling and Simulation of All vanadium Redox Flow Batteries written by Hassan Abdul-Zehra Abdul-Yima Al-Fetlawi and published by . This book was released on 2010 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Flow Batteries 3 Volume Set written by Christina Roth and published by Wiley-VCH. This book was released on 2023-02-06 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Flow Batteries The premier reference on flow battery technology for large-scale, high-performance, and sustainable energy storage From basics to commercial applications, Flow Batteries covers the main aspects and recent developments of (Redox) Flow Batteries, from the electrochemical fundamentals and the materials used to their characterization and technical application. Edited by a team of leading experts, including the “founding mother of vanadium flow battery technology” Maria Skyllas-Kazacos, the full scope of this revolutionary technology is detailed, including chemistries other than vanadium and organic flow batteries. Other key topics covered in Flow Batteries include: Flow battery computational modeling and simulation, including quantum mechanical considerations, cell, stack, and system modeling, techno-economics, and grid behavior A comparison of the standard vanadium flow battery variant with new and emerging flow batteries using different chemistries and how they will change the field Commercially available flow batteries from different manufacturers, their technology, and application ranges The pivotal role of flow batteries in overcoming the global energy crisis Flow Batteries is an invaluable resource for researchers and engineers in academia and industry who want to understand and work with this exciting new technology and explore the full range of its current and future applications.

Download or read book Electrochemical Engineering of All vanadium Redox Flow Batteries for Reduced Ionic and Water Crossover Via Experimental Diagnostics and Multiscale Modeling written by Yasser Ashraf Gandomi and published by . This book was released on 2019 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Scalable and open architecture of redox flow batteries (RFBs) is a promising solution for large-scale energy storage. Among many chemistries developed for RFBs, all-vanadium redox flow batteries (VRFBs) currently show great potential for widespread commercialization. VRFBs utilize vanadium ions with different oxidation states in the negative and positive electrolytes; this characteristic frees them from irreversible capacity decay as a function of electroactive species transport through the membrane (i.e. crossover). However, crossover of vanadium ions and water during the charge/discharge cycling not only results in a lost discharge capacity, but also has real-time influence on the cell performance.Several parameters affect solute and solvent crossover during cycling. In this dissertation, experimental data along with multiscale computational modeling tailored to quantify the contributions to capacity decay stemming from ion-exchange membrane properties (e.g. equivalent weight and degree of reinforcement), flow field design, electrolyte properties, and operating conditions. A major focus has been to understand the effect of the electrode/membrane interface on the capacity decay and contact resistance. Novel ex-situ conductivity cells have been devised to assess ionic conductivity of the ion-exchange membranes along with electrolytes leading to details on the impact of interfacial phenomena on ionic conductivity and crossover.To quantify the long-term influence of crossover, a unique set-up (we call it IonCrG: Ionic Crossover Gauge) was built and fabricated enabling real-time measurement of the ionic transport across the polymeric membrane using ultraviolet-visible (UV/Vis) spectroscopy. The IonCrG enables separation of contributions to crossover emerging from concentration and electrostatic potential gradients. To investigate the instantaneous impact of crossover on the performance, a real-time current density distribution diagnostic has been implemented for measuring the in-plane current density distribution.The insights gained from this suite of experimental diagnostics and multiscale modeling have inspired design of systems with enhanced performance and greatly decreased crossover losses. Novel cell topologies along with asymmetric electrolyte compositions were designed and engineered for mitigating the ionic crossover during the operation of VRFBs. The cell architecture as well as the electrolyte configuration proposed in this dissertation provides an inexpensive and passive solution for retaining capacity during extended cycling of aqueous RFBs.

Download or read book Model based Design and Optimization of Vanadium Redox Flow Batteries written by Sebastian König and published by Cuvillier Verlag. This book was released on 2017-09-13 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this work, a holistic approach is used to develop a multi-physical model of the Vanadium Redox Flow Battery on a system level. The model is validated with experimental data from three flow battery manufacturers and is then deployed in an extensive parameter study for designing a flow battery cell. Using finite element analysis (FEA), twenty-four different cell designs are derived, which vary in electrode area and the design of the electrolyte inlet and outlet supply channels. The performance of the designs is then simulated in a single-stack and a three-stack string system. The presented model is also deployed in a flow rate optimization study. Here, a novel strategy involving the model-based optimization of operation-points defined by state-of-charge and charging or discharging current is presented and compared to conventional flow rate control strategies. Finally, a stack voltage controller is introduced, which prevents the violation of cell voltage limits as long as the pump capacity is not fully utilized.

Download or read book Battery System Modeling written by Shunli Wang and published by Elsevier. This book was released on 2021-06-23 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: Battery System Modeling provides advances on the modeling of lithium-ion batteries. Offering step-by-step explanations, the book systematically guides the reader through the modeling of state of charge estimation, energy prediction, power evaluation, health estimation, and active control strategies. Using applications alongside practical case studies, each chapter shows the reader how to use the modeling tools provided. Moreover, the chemistry and characteristics are described in detail, with algorithms provided in every chapter. Providing a technical reference on the design and application of Li-ion battery management systems, this book is an ideal reference for researchers involved in batteries and energy storage. Moreover, the step-by-step guidance and comprehensive introduction to the topic makes it accessible to audiences of all levels, from experienced engineers to graduates. Explains how to model battery systems, including equivalent, electrical circuit and electrochemical nernst modeling Includes comprehensive coverage of battery state estimation methods, including state of charge estimation, energy prediction, power evaluation and health estimation Provides a dedicated chapter on active control strategies

Download or read book Multiscale Modeling and Characterization for Performance and Safety of Lithium ion Batteries written by and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Lithium-ion batteries are highly complex electrochemical systems whose performance and safety are governed by coupled nonlinear electrochemical-electrical-thermal-mechanical processes over a range of spatiotemporal scales. In this paper we describe a new, open source computational framework for Lithium-ion battery simulations that is designed to support a variety of model types and formulations. This framework has been used to create three-dimensional cell and battery pack models that explicitly simulate all the battery components (current collectors, electrodes, and separator). The models are used to predict battery performance under normal operations and to study thermal and mechanical safety aspects under adverse conditions. The model development and validation are supported by experimental methods such as IR-imaging, X-ray tomography and micro-Raman mapping.