Review of parameterisation and a novel database (LiionDB) for continuum Li-ion battery models

The Doyle–Fuller–Newman (DFN) framework is the most popular physics-based continuum-level description of the chemical and dynamical internal processes within operating lithium-ion-battery cells. With sufficient flexibility to model a wide range of battery designs and chemistries, the framework provides an effective balance between detail, needed to capture key microscopic mechanisms, and simplicity, needed to solve the governing equations at a relatively modest computational expense. Nevertheless, implementation requires values of numerous model parameters, whose ranges of applicability, estimation, and validation pose challenges. This article provides a critical review of the methods to measure or infer parameters for use within the isothermal DFN framework, discusses their advantages or disadvantages, and clarifies limitations attached to their practical application. Accompanying this discussion we provide a searchable database, available at www.liiondb.com, which aggregates many parameters and state functions for the standard DFN model that have been reported in the literature

A Computationally Informed Realisation Algorithm for Lithium-Ion Batteries Implemented with LiiBRA.jl

Real-time battery modelling advancements have quickly become a requirement as the adoption of battery electric vehicles (BEVs) has rapidly increased. In this paper an open-source, improved discrete realisation algorithm, implemented in Julia for creation and simulation of reduced-order, real-time capable physics-based models is presented. This work reduces the Doyle-Fuller-Newman electrochemical model into continuous-form transfer functions and introduces a computationally informed discrete realisation algorithm (CI-DRA) to generate the reduced-order models. Further improvements in conventional offline model creation are obtained as well as achieving in-vehicle capable model creation for ARM based computing architectures. Furthermore, a sensitivity analysis on the resultant computational time is completed as well as experimental validation of a worldwide harmonised light vehicle test procedure (WLTP) for a LG Chem. M50 21700 parameterisation. A performance comparison to the conventional Matlab implemented discrete realisation algorithm (DRA) is completed showcasing a mean computational time improvement of 88%. Finally, an ARM based compilation is investigated for in-vehicle model generation and shows a modest performance reduction of 43% when compared to the x86 implementation while still generating accurate models within 5.5 seconds

Constrained optimal control of monotone systems with applications to battery fast-charging

Enabling fast charging for lithium ion batteries is critical to accelerating the green energy transition. As such, there has been significant interest in tailored fast-charging protocols computed from the solutions of constrained optimal control problems. Here, we derive necessity conditions for a fast charging protocol based upon monotone control systems theory

Optimal fast charging of lithium ion batteries: between model-based and data-driven methods

Delivering lithium ion batteries capable of fast charging without suffering from accelerated degradation is an important milestone for transport electrification. Recently, there has been growing interest in applying data-driven methods for optimising fast charging protocols to avoid accelerated battery degradation. However, such data-driven approaches suffer from a lack of robustness, explainability and generalisability, which has hindered their wide-spread use in practice. To address this issue, this paper proposes a method to interpret the fast charging protocols of data-driven algorithms as the solutions of a model-based optimal control problem. This hybrid approach combines the power of data-driven methods for predicting battery degradation with the flexibility and optimality guarantees of the model-based approach. The results highlight the potential of the proposed hybrid approach for generating fast charging protocols. In particular, for fast charging to 80% state-of-charge in 10 min, the proposed approach was predicted to increase the cycle life from 912 to 1078 cycles when compared against a purely data-driven approach

A New Multiscale Modeling Framework for Lithium-Ion Battery Dynamics: Theory, Experiments, and Comparative Study with the Doyle-Fuller-Newman Model

Technological advancements and globalization in recent decades have largely been responsible for the ever-increasing energy and power demands across different industrial sectors. This has led to an extensive use of fossil fuel based resources such as gasoline and diesel, especially in the transportation industry [1]. The consequences of this utilization are excessive emission of greenhouse gases and degradation of air quality, which have raised significant environmental concerns. Added to this, concerns over the eventual depletion of fossil fuels has accelerated the exploration and development of new energy sources. At the same time, increasingly stringent regulations have been imposed to enhance the fuel efficiency and minimize emissions in automobiles. Efforts to meet current and future regulation targets have led to the development of new technologies, some of which are: a) vehicle electrification [2], b) gasoline direct injection technology [3], c) variable valve timing [4], d) advanced exhaust gas recirculation [5], and e) selective catalytic reduction for NOx [6]. On the energy front, wind and solar technologies have been vastly explored [7], but these technologies are time-dependent and intermittent in nature and must be supplemented by energy storage devices. Lithium-ion batteries have been considered the most preferred technology for grid energy storage and electrified transportation because of their higher energy and power densities, better efficiency, and longer lifespan in comparison with other energy storage devices such as lead acid, nickel metal hydride, and nickel cadmium [8]. Lithium-ion batteries are the most dominant technology today in small scale applications such as portable phones and computers [9]. However, their wide-scale adoption in automotive and grid energy storage applications has been hampered by concerns associated with battery life, safety, and reliability. A lack of comprehensive understanding of battery behavior across different environments and operating conditions make it challenging to extract their best performance. Currently, significant trade-offs are being made to optimize battery performance, such as over-sizing and under-utilization in automotive applications. While sensors are used to evaluate battery performance and regulate their operation, their fundamental limitation lies in the inability to measure battery internal states such as state-of-charge (SoC) or state-of-health (SoH). The aforementioned issues with lithium-ion batteries can addressed to a large extent with the help of mathematical modeling. They play an important role in the design and utilization of batteries in an efficient manner with existing technologies, because of their ability to predict battery behavior with minimal expenditure of time and materials [10]. While empirical mathematical models are computationally efficient, they rely on a significant amount of experimental data and calibration effort to predict future battery behavior. In addition, such models do not consider the underlying physicochemical transport processes and hence cannot predict battery degradation. Moreover, the knowledge acquired from such models cannot be generalized across different battery chemistry and geometry. This elucidates the need for fundamental physics-based mathematical models to aid in the development of advanced control strategies through model-based control and virtual sensor deployment. Such models can capture the underlying transport phenomena across various length and time scales, and enhance performance and longevity of batteries while ensuring safe operation. The overarching aim of this dissertation is to present a multiscale modeling approach that captures the behavior of such devices with high fidelity, starting from fundamental principles. The application of this modeling approach is focused on porous lithium-ion batteries. The major outcome of this work is to facilitate the development of advanced and comprehensive battery management systems by: a) developing a high fidelity multiscale electrochemical modeling framework for lithium-ion batteries, b) investigating the temperature-influenced and aging-influenced multiscale dynamics for different battery chemistry and operating conditions, c) formulating a methodology to analytically determine effective ionic transport properties using the electrode microstructure, and d) numerical simulation of the developed physics-based model and comparison analysis with the conventionally used Doyle-Fuller-Newman (DFN) electrochemical model. The new multiscale model presented in this dissertation has been derived using a rigorous homogenization approach which uses asymptotic expansions of variables to determine the macroscopic formulation of pore-scale governing transport equations. The conditions that allow successful upscaling from pore-to-macro scales are schematically represented using 2-D electrode and electrolyte phase diagrams. These phase diagrams are used to assess the predictability of macroscale models for different electrode chemistry and battery operating conditions. The effective transport coefficients of the homogenized model are determined by resolving a unit cell closure variable problem in the electrode microstructure, instead of conventionally employed empirical formulations. The equations of the developed full order homogenized multiscale (FHM) model are implemented and resolved using the finite element software COMSOL Multiphysics®. Numerical simulations are presented to demonstrate the enhanced predictability of the FHM against the traditionally used DFN model, particularly at higher temperatures of battery operation. Model parameter identification is performed by co-simulation studies involving COMSOL Multiphysics® and MATLAB® software using the Particle Swarm Optimization (PSO) technique. The parameter identification studies are performed using data from laboratory experiments conducted on 18650 cylindrical lithium-ion cells of nickel-manganese-cobalt oxide (NMC) cathode chemistry

Resolving Kirchhoff’s laws for parallel Li-ion battery pack state-estimators

A state-space model for Li-ion battery packs with parallel-connected cells is introduced. The key feature of the model is an explicit solution to Kirchhoff’s laws for parallel-connected packs, which expresses the branch currents directly in terms of the model’s states, applied current, and cell resistances. This avoids the need to solve these equations numerically. To illustrate the potential of the proposed model for pack-level control and estimation, a method to bound the error of a state-estimator is introduced and the modeling framework is generalized to a class of electrochemical models. It is hoped that the insight brought by this model formulation will allow the wealth of results developed for series-connected packs to be applied to those with parallel connections

Experimental and modeling investigation of thermal behaviour and performance of lithium ion prismatic cells at cold-start temperatures

This thesis examines the thermal behaviour of prismatic lithium iron-phosphate (LFP) cells and batteries and the influence of that behaviour on discharge performance under cold-start operating conditions representative of near- and sub-zero temperature driving. The first part of this thesis details the experimental characterization of global and local thermal behavior, and global voltage performance, of prismatic cells at cold-start ambient temperatures. The second part of this thesis applies the characterization data to validate a 0D lumped capacitance model and a 3D thermal-electrochemical coupled model of the cell. The models are then used to investigate the influence and significance of spatial thermal variations on prismatic cell performance