Download or read book Modelling Thermodynamic Properties of Intercalation Compounds for Lithium Ion Batteries written by Siaufung Oliver Dang and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book New Trends in Intercalation Compounds for Energy Storage written by Christian Julien and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 655 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in electrochemistry and materials science have opened the way to the evolution of entirely new types of energy storage systems: rechargeable lithium-ion batteries, electrochroms, hydrogen containers, etc., all of which have greatly improved electrical performance and other desirable characteristics. This book encompasses all the disciplines linked in the progress from fundamentals to applications, from description and modelling of different materials to technological use, from general diagnostics to methods related to technological control and operation of intercalation compounds. Designing devices with higher specific energy and power will require a more profound understanding of material properties and performance. This book covers the status of materials and advanced activities based on the development of new substances for energy storage.
Download or read book A Redlich Kister Type Free Energy Model for Li intercalation Compounds with Variable Lattice Occupation Numbers written by Manuel Landstorfer and published by . This book was released on 2018 with total page 1348 pages. Available in PDF, EPUB and Kindle. Book excerpt: One of the central quantities of a lithium ion intercalation compound is the open circuit potential, the voltage a battery material delivers in thermodynamic equilibrium. This voltage is related to the chemical potential of lithium in the insertion material and in general a non-linear function of the mole fraction of intercalated lithium. Experimental data shows further that it is specific for various materials. The open circuit voltage is a central ingredient for mathematical models of whole battery cells, which are used to investigate and simulate the charge and discharge behavior and to interpret experimental data on non-equilibrium processes. However, since no overall predictive theoretical method presently exists for the open circuit voltage, it is commonly fitted to experimental data. Simple polynomial fitting approaches are widely used, but they lack any thermodynamic interpretation. More recently systematically and thermodynamically motivated approaches are used to model the open circuit potential. We provide here an explicit free energy density which accounts for variable occupation numbers of Li on the intercalation lattice as well as Redlich-Kister-type enthalpy contributions. The derived chemical potential is validated by experimental data of Liy(Ni1/3Mn1/3Co1/3)O2 and we show that only two parameters are sufficient to obtain an overall agreement of the non-linear open circuit potential within the experimental error.
Download or read book Modeling and Simulation of Lithium ion Power Battery Thermal Management written by Junqiu Li and published by Springer Nature. This book was released on 2022-05-09 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the thermal management technology of lithium-ion batteries for vehicles. It introduces the charging and discharging temperature characteristics of lithium-ion batteries for vehicles, the method for modeling heat generation of lithium-ion batteries, experimental research and simulation on air-cooled and liquid-cooled heat dissipation of lithium-ion batteries, lithium-ion battery heating method based on PTC and wide-line metal film, self-heating using sinusoidal alternating current. This book is mainly for practitioners in the new energy vehicle industry, and it is suitable for reading and reference by researchers and engineering technicians in related fields such as new energy vehicles, thermal management and batteries. It can also be used as a reference book for undergraduates and graduate students in energy and power, electric vehicles, batteries and other related majors.
Download or read book First Principles Investigation of the Thermodynamic and Kinetic Properties of Lithium Transition Metal Oxides written by Anton Francis Van der Ven and published by . This book was released on 2000 with total page 164 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Lithium ion Battery Modeling Using Non equilibrium Thermodynamics written by Todd Richard Ferguson and published by . This book was released on 2014 with total page 161 pages. Available in PDF, EPUB and Kindle. Book excerpt: The focus of this thesis work is the application of non-equilibrium thermodynamics in lithium-ion battery modeling. As the demand for higher power and longer lasting batteries increases, the search for materials suitable for this task continues. Traditional battery modeling uses dilute solution kinetics and a fit form of the open circuit potential to model the discharge. This work expands on this original set of equations to include concentrated solution kinetics as well as thermodynamics-based modeling of the open circuit potential. This modification is advantageous because it does not require the cell to be built in order to be modeled. Additionally, this modification also allows phase separating materials to be modeled directly using phase field models. This is especially useful for materials such as lithium iron phosphate and graphite, which are currently modeled using a fit open circuit potential and an artificial phase boundary (in the case of lithium iron phosphate). This thesis work begins with a derivation of concentrated solution theory, beginning with a general reaction rate framework and transition state theory. This derivation includes an overview of the thermodynamic definitions used in this thesis. After the derivation, transport and conduction in porous media are considered. Effective transport properties for porous media are presented using various applicable models. Combining concentrated solution theory, mass conservation, charge conservation, and effective porous media properties, the modified porous electrode theory equations are derived. This framework includes equations to model mass and charge conservation in the electrolyte, mass conservation in the solid intercalation particles, and electron conservation in the conducting matrix. These mass and charge conservation equations are coupled to self-consistent models of the charge transfer reaction and the Nernst potential. The Nernst potential is formulated using the same thermodynamic expressions used in the mass conservation equation for the intercalation particles. The charge transfer reaction is also formulated using the same thermodynamic expressions, and is presented in a form similar to the Butler-Volmer equation, which determines the reaction rate based on the local overpotential. This self-consistent set of equations allows both homogeneous and phase separating intercalation materials to be modeled. After the derivation of the set of equations, the numerical methods used to solve the equations in this work are presented, including the finite volume method and solution methods for differential algebraic equations. Then, example simulations at constant current are provided for homogeneous and phase separating materials to demonstrate the effect of changing the solid diffusivity and discharge rate on the cell voltage. Other effects, such as coherency strain, are also presented to demonstrate their effect on the behavior of particles inside the cell (e.g. suppression of phase separation). After the example simulations, specific simulations for two phase separating materials are presented and compared to experiment. These simulations include slow discharge of a lithium iron phosphate cell at constant current, and electrolyte-limited discharge of a graphite cell at constant potential. These two simulations are shown to agree very well with experimental data. In the last part of this thesis, the most recent work is presented, which is based on modeling lithium iron phosphate particles including coherency strain and surface wetting. These results are qualitatively compared with experimental data. Finally, future work in this area is considered, along with a summary of the thesis.
Download or read book New Trends in Intercalation Compounds for Energy Storage and Conversion written by Karim Zaghib and published by The Electrochemical Society. This book was released on 2003 with total page 686 pages. Available in PDF, EPUB and Kindle. Book excerpt: Papers presented at the symposium held in Paris, France on April 30-May 2, 2003.
Download or read book Energy Research Abstracts written by and published by . This book was released on 1988 with total page 736 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Studies of Thermodynamics and Kinetics of Metal Oxides in Li ion Batteries and Earth s Lower Mantle Materials written by Shenzhen Xu and published by . This book was released on 2017 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal oxide materials are ubiquitous in nature and in our daily lives. For example, the Earth's mantle layer that makes up about 80% of our Earth's volume is composed of metal oxide materials, the cathode materials in the lithium-ion batteries that provide power for most of our mobile electronic devices are composed of metal oxides, the chemical components of the passivation layers on many kinds of metal materials that protect the metal from further corrosion are metal oxides. This thesis is composed of two major topics about the metal oxide materials in nature. The first topic is about our computational study of the iron chemistry in the Earth's lower mantle metal oxide materials, i.e. the bridgmanite (Fe-bearing MgSiO3 where iron is the substitution impurity element) and the ferropericlase (Fe-bearing MgO where iron is the substitution impurity element). The second topic is about our multiscale modeling works for understanding the nanoscale kinetic and thermodynamic properties of the metal oxide cathode interfaces in Li-ion batteries, including the intrinsic cathode interfaces (intergrowth of multiple types of cathode materials, compositional gradient cathode materials, etc.), the cathode/coating interface systems and the cathode/electrolyte interface systems. This thesis uses models based on density functional theory quantum mechanical calculations to explore the underlying physics behind several types of metal oxide materials existing in the interior of the Earth or used in the applications of lithium-ion batteries. The exploration of this physics can help us better understand the geochemical and seismic properties of our Earth and inspire us to engineer the next generation of electrochemical technologies.
Download or read book Handbook of Materials Modeling written by Sidney Yip and published by Springer Science & Business Media. This book was released on 2007-11-17 with total page 2903 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.
Download or read book Lithium ion Battery Materials and Engineering written by Malgorzata K. Gulbinska and published by Springer. This book was released on 2014-09-06 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt: Gaining public attention due, in part, to their potential application as energy storage devices in cars, Lithium-ion batteries have encountered widespread demand, however, the understanding of lithium-ion technology has often lagged behind production. This book defines the most commonly encountered challenges from the perspective of a high-end lithium-ion manufacturer with two decades of experience with lithium-ion batteries and over six decades of experience with batteries of other chemistries. Authors with years of experience in the applied science and engineering of lithium-ion batteries gather to share their view on where lithium-ion technology stands now, what are the main challenges, and their possible solutions. The book contains real-life examples of how a subtle change in cell components can have a considerable effect on cell’s performance. Examples are supported with approachable basic science commentaries. Providing a unique combination of practical know-how with an in-depth perspective, this book will appeal to graduate students, young faculty members, or others interested in the current research and development trends in lithium-ion technology.
Download or read book Kinetics of Phase Transitions written by Sanjay Puri and published by CRC Press. This book was released on 2009-03-24 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: Providing a comprehensive introduction with the necessary background material to make it accessible for a wide scientific audience, Kinetics of Phase Transitions discusses developments in domain-growth kinetics. This book combines pedagogical chapters from leading experts in this area and focuses on incorporating various experimentally releva
Download or read book Mathematical Modeling of Lithium ion Intercalation Particles and Their Electrochemical Dynamics written by and published by . This book was released on 2015 with total page 190 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lithium-ion battery is a family of rechargeable batteries with increasing importance that is closely related to everyone's daily life. However, despite its enormously wide applications in numerous areas, the mechanism of lithium-ion transport within the battery is still unclear, especially for phase separable battery materials, such as lithium iron phosphate and graphite. Mathematical modeling of the battery dynamics during charging/discharging will be helpful to better understand its mechanism, and may lead to future improvement in the battery technology. In this thesis, a new theoretical framework, the Cahn-Hilliard reaction (CHR) model, is applied to model the bulk phase separation dynamics of the single intercalated particle in the lithium-ion battery. After a study of the efficient numerical algorithm for solving nonlinear diffusion equations, we numerically investigate the thermodynamics and electrokinetics of the 1D spherical CHR model with different possible material properties in detail. We also extend the CHR model to 2D and briefly study the effects of the surface electron-conducting coating layer. We also work on the Marcus theory, which is demonstrated to be a better theoretical framework for heterogeneous electron transfer at the surface of intercalated particles in the batteries. We provide simple closed-form approximations to both the symmetric Marcus-Hush-Chidsey (MHC) and the asymmetric-Marcus-Hush (AMH) models by asymptotic technique. By avoiding the numerical evaluations of the improper integral in the old formulae, computing the surface reaction rate with the new approximation is now more than 1000 times faster than before.
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1994 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Microscopy and Microanalysis for Lithium Ion Batteries written by Cai Shen and published by CRC Press. This book was released on 2023-05-26 with total page 479 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides comprehensive techniques that probe the fundamentals of Li-ion batteries Each chapter covers the basic principles of the techniques involved as well as its application in battery research Describes details of experimental set-ups and procedure for successful experiments
Download or read book Phase Equilibria Thermodynamic and Electrochemical Properties of Cathodes in Lithium Ion Batteries Based on the Li Co Ni O System written by Keke Chang and published by . This book was released on 2013-09-06 with total page 112 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Thermodynamic Model Development for Lithium Intercalation Electrodes written by Deepak Kumaar Kandasamy Karthikeyan and published by . This book was released on 2008 with total page 110 pages. Available in PDF, EPUB and Kindle. Book excerpt:
