Limit search to available items
Book Cover
E-book
Author Shah, Akeel A

Title New paradigms in flow battery modelling / Akeel A. Shah, Puiki Leung, Qian Xu, Pang-Chieh Sui, Wei Xing
Published Singapore : Springer, 2023

Copies

Description 1 online resource (389 p.)
Series Engineering Applications of Computational Methods ; v.16
Engineering applications of computational methods ; v. 16.
Contents Intro -- Contents -- 1 Introduction -- 1.1 Motivation and Outline of this Book -- 1.2 Why Energy Storage? -- 1.3 Types of Energy Storage -- 1.3.1 Chemical Energy Storage -- 1.3.2 Electrical Energy Storage -- 1.3.3 Mechanical Energy Storage -- 1.3.4 Thermal Energy Storage -- 1.3.5 Electrochemical Energy Storage -- 1.4 Summary -- References -- 2 Electrochemical Theory and Overview of Redox Flow Batteries -- 2.1 Introduction -- 2.2 Properties of Redox Flow Batteries -- 2.3 Fundamental Electrochemical Principles of Flow Batteries -- 2.3.1 Redox Reactions at the Electrodes -- 2.3.2 Faraday's Law
2.3.3 Thermodynamics and Nernst's Equation -- 2.3.4 Charge-Transfer Reaction -- 2.3.5 An Electrode Surface Under Equilibrium Conditions -- 2.3.6 An Electrode Surface Under Non-equilibrium Conditions -- 2.3.7 Mass Transport -- 2.3.8 Migration -- 2.3.9 Diffusion -- 2.3.10 Convection-Diffusion -- 2.4 Brief Overview of Redox Flow Battery Developments -- 2.5 Types of Flow Batteries -- 2.5.1 Systems with Energy Stored on the Electrodes -- 2.5.2 Hybrid Flow Batteries -- 2.6 Design Considerations and Components of Flow Batteries -- 2.6.1 Construction Materials -- 2.6.2 Electrode Materials
2.6.3 Carbon-Based Electrodes -- 2.6.4 Metal-Based Electrodes -- 2.6.5 Composite Electrodes -- 2.6.6 Membranes -- 2.6.7 Commercially Available Membranes -- 2.6.8 Modified and Composite Membranes -- 2.6.9 Flow Distributor and Turbulence Promoter -- 2.7 Current Developments in Flow Batteries -- 2.7.1 Electrolyte Formulation -- 2.7.2 Improvement in Battery Efficiencies -- 2.7.3 Electrical Distribution System -- 2.8 Prototypes of Redox Flow Batteries -- 2.9 Applications of Redox and Hybrid Flow Batteries -- 2.10 Summary -- References -- 3 Modelling Methods for Flow Batteries -- 3.1 Introduction
3.2 Overview of Available Physics-Based Modelling Approaches -- 3.3 Macroscopic Modelling -- 3.3.1 Eulerian and Lagrangian Descriptions -- 3.3.2 Conservation Laws -- 3.3.3 Conservation of Multiple Charged and Neutral Species -- 3.3.4 Flow in Porous Media -- 3.3.5 Transport of Water and Ions in Membranes -- 3.3.6 Charge Balances -- 3.3.7 The Volume-of-Fluid Method -- 3.3.8 The Level-Set Method -- 3.3.9 Arbitrary Lagrangian Eulerian Methods -- 3.3.10 Immersed Boundary Methods -- 3.4 Mesoscopic Models -- 3.4.1 Phase-Field Models -- 3.4.2 Kinetic Theory Models -- 3.4.3 The Lattice-Boltzmann Model
3.5 Molecular Dynamics Simulations -- 3.5.1 Interatomic Potentials -- 3.5.2 Force Fields and Molecular Mechanics -- 3.5.3 Ensembles and Statistical Averages -- 3.5.4 The Micro-canonical Ensemble and Macroscopic Observables -- 3.5.5 Solving the Hamiltonian System -- 3.5.6 Thermostats and Other Ensembles -- 3.6 Quantum Mechanical Calculations -- 3.6.1 Background in Many-Body Quantum Theory -- 3.6.2 Hartree-Fock, Semi-empirical and Post-Hartree-Fock Methods -- 3.6.3 Hohenberg-Kohn and Levy-Leib Formulations and Functionals -- 3.6.4 Kohn-Sham Density Functional Theory
Summary 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.
Notes 3.6.5 Exchange-Correlation Functional Hierarchy
Bibliography Includes bibliographical references
Notes Online resource; title from PDF title page (SpringerLink, viewed September 13, 2023)
Subject Flow batteries -- Mathematical models
Form Electronic book
Author Leung, Puiki
Xu, Qian
Sui, Pang-Chieh
Xing, Wei
ISBN 9789819925247
981992524X