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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

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