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This paper presents a novel battery modeling framework based on the enhanced single particle model (ESPM) to account for degradation mechanisms of second-life batteries. While accounting for the transport and electrochemical phenomena in…

Systems and Control · Electrical Eng. & Systems 2021-08-19 Gabriele Pozzato , Seong Beom Lee , Simona Onori

We consider the mathematical treatment of a system of nonlinear partial differential equations based on a model, proposed in 1972 by J. Newman, in which the coupling between the Lithium concentration, the phase potentials and temperature in…

Analysis of PDEs · Mathematics 2022-02-23 Jesús Ildefonso Díaz , David Gómez-Castro , Angel Manuel Ramos

We build a transient multidimensional multiphysical model based on continuum theories, involving the coupled mechanical, thermal and electrochemical phenomena occurring simultaneously in the discharge or charge of lithium-ion batteries. The…

Numerical Analysis · Mathematics 2024-03-26 Jaime Mora-Paz

Conventional lithium-ion batteries, and many next-generation technologies, rely on organic electrolytes with multiple solvents to achieve the desired physicochemical and interfacial properties. The complex interplay between these properties…

Soft Condensed Matter · Physics 2023-03-06 Zachary A. H. Goodwin , Michael McEldrew , Boris Kozinsky , Martin Z. Bazant

In this work, we report the results from molecular dynamics simulations of lithium salt-ionic liquid electrolytes (ILEs) based either on the symmetric bis[(trifluoromethyl)sulfonyl]imide ($\text{TFSI}^-$) anion or its asymmetric analog…

Chemical Physics · Physics 2022-03-23 Alina Wettstein , Diddo Diddens , Andreas Heuer

Battery degradation is a major challenge in electric vehicles (EV) and energy storage systems (ESS). However, most degradation investigations focus mainly on estimating the state of charge (SOC), which fails to accurately interpret the…

Machine Learning · Computer Science 2025-04-22 Md Azizul Hoque , Babul Salam , Mohd Khair Hassan , Abdulkabir Aliyu , Abedalmuhdi Almomany , Muhammed Sutcu

Polymer electrolytes are intensely investigated for use as solid electrolytes in next generation lithium-ion and lithium-metal batteries. However, little is known about the structural and dynamical properties of polymer electrolytes close…

Soft Condensed Matter · Physics 2021-12-02 Andreas Thum , Diddo Diddens , Andreas Heuer

Quantum chemical calculations have been employed to investigate the solvation of lithium cations in ethylene carbonate/propylene carbonate and propylene carbonate/dimethyl carbonate mixed electrolytes. The impact of the presence of the…

Materials Science · Physics 2018-11-20 Veerapandian Ponnuchamy , Stefano Mossa , Ioannis Skarmoutsos

The solvation environments of Li$^+$ in conventional non-aqueous battery electrolytes, such as LiPF$_6$ in mixtures of ethylene carbaronate (EC) and ethyl methyl carbonate (EMC), are often used to rationalize the transport properties of…

Statistical Mechanics · Physics 2026-05-20 Zachary A. H. Goodwin , Daniel M. Markiewitz , Qisheng Wu , Yue Qi , Martin Z. Bazant

Non-destructive characterization of lithium-ion batteries provides critical insights for optimizing performance and lifespan while preserving structural integrity. Optimizing electrolyte design in commercial LIBs requires consideration of…

Passivating solid-electrolyte interphase (SEI) films arising from electrolyte decomposition on low-voltage lithium ion battery anode surfaces are critical for battery operations. We review the recent theoretical literature on electrolyte…

Chemical Physics · Physics 2013-07-12 Kevin Leung

Currently, the characterization of electric energy storage units used for power system operation and planning models relies on two major assumptions: charge and discharge efficiencies, and power limits are constant and independent of the…

Systems and Control · Electrical Eng. & Systems 2024-12-20 Alvaro Gonzalez-Castellanos , David Pozo , Aldo Bischi

The penetrations of lithium-ion batteries in transport, energy and communication systems are increasing rapidly. A meticulous model applicable for precise in-situ monitoring and convenient online controlling is in sought to bridge the gap…

Systems and Control · Electrical Eng. & Systems 2022-03-22 Yuxuan Gu , Jianxiao Wang , Yuanbo Chen , Zhongwei Deng , Hongye Guo , Kedi Zheng , Qixin Chen

In this article, we derive and discuss a physics-based model for impedance spectroscopy of lithium batteries. Our model for electrochemical cells with planar electrodes takes into account the solid-electrolyte interphase (SEI) as porous…

Chemical Physics · Physics 2020-04-03 Fabian Single , Birger Horstmann , Arnulf Latz

Counterion distribution around an isolated flexible polyelectrolyte in the presence of a divalent salt is evaluated using the adsorption model [M. Muthukumar, J. Chem. Phys. {\bf 120}, 9343 (2004)] that considers Bjerrum length, salt…

Soft Condensed Matter · Physics 2008-12-29 Arindam Kundagrami , M. Muthukumar

Growing demand for fast charging and optimised battery designs is fuelling significant interest in electrochemical models of Li-ion batteries. However, estimating parameter values for these models remains a major challenge. In this paper, a…

Systems and Control · Electrical Eng. & Systems 2020-12-04 Ross Drummond , Stephen R. Duncan

Numerical simulations are a powerful tool for the development and improvement of Li-ion batteries. Modeling the mass transport of the involved electrolytic solutions requires precise determination of the corresponding electrolyte…

Chemical Physics · Physics 2024-11-21 Lukas Lehnert , Maryam Nojabaee , Arnulf Latz , Birger Horstmann

Equivalent Circuit Model(ECM)has been widelyused in battery modeling and state estimation because of itssimplicity, stability and interpretability.However, ECM maygenerate large estimation errors in extreme working conditionssuch as…

Signal Processing · Electrical Eng. & Systems 2024-07-31 Zelin Guo , Yiyan Li , Zheng Yan , Mo-Yuen Chow

This paper presents findings on dynamic cell modeling for state-of-charge (SOC) estimation in an autonomous electric vehicle (AEV). The studied cells are Lithium-Ion Polymer-based with a nominal capacity of around 8Ah, optimized for…

Systems and Control · Electrical Eng. & Systems 2023-06-21 Qasim Ajao , Lanre Sadeeq

We present a coupled continuum formulation for the electrostatic, chemical, thermal, mechanical and fluid physics in battery materials. Our treatment is at the particle scale, at which the active particles held together by carbon-binders,…

Computational Physics · Physics 2018-07-26 Zhenlin Wang , Krishna Garikipati