Modeling Electrochemical Transport within a Three-Electrode System

121

Lithium-ion batteries (LiB) offer a low-cost, long cycle-life and high energy density solution to the automotive industry. There is a growing need of fast charging batteries for commercial application. However, under certain conditions of high currents and/or low temperatures, the chance for Li plating increases. If the anode surface potential falls below 0 V vs Li/Li+, the formation of metallic Li is thermodynamically feasible. Therefore, determination of accurate Li plating curve is crucial in estimating the boundary conditions for battery operation without compromising life and safety. There are various electrochemical and analytical methods that are employed in deducing the Li plating boundary of the Li-ion batteries. The present paper reviews the common test methods and analysis that are currently utilized in Li plating determination. Knowledge gaps are identified, and recommendations are made for the future development in the determination and verification of Li plating curve in terms of modeling and analysis.

mentioning

confidence: 99%

Review—Lithium Plating Detection Methods in Li-Ion Batteries

Janakiraman

Garrick

Fortier

2020

121

“…The fundamental governing equations and construction of the electrochemical model used in this study have been described in previous work. 4,15 In the continuum model approach, mass transport and the potential in the cathode particles and anode particles are described by Fickian diffusion and Ohm's law, respectively. Mass transport in the electrolyte phase is described by concentrated solution theory.…”

Section: Porous Electrode Theory and Heat Generationmentioning

confidence: 99%

“…In this work, we focused on using MD methods to inform the electrolyte material properties, and plan to focus future work on characterizing the material properties of solid active materials. For this work, we utilize the methods typical of our previous studies on electrochemical characterization, 15,17 volume change, [18][19][20][21][22] and heat generation 6,[23][24][25][26] for large format battery cells to inform the remaining cell design and material properties through characterization, analytical methods prior to formation, and post-formation teardown analysis.…”

Section: Porous Electrode Theory and Heat Generationmentioning

confidence: 99%

Leveraging Molecular Dynamics to Improve Porous Electrode Theory Modeling Predictions of Lithium-Ion Battery Cells

Dix

Lowe

Avei

et al. 2023

Self Cite

Lithium-ion battery cell modeling using physics-based approaches such as porous electrode theory is a powerful tool for battery design and analysis. Cell metrics such as resistance and thermal performance can be quickly calculated in a pseudo-two-dimensional (P2D) framework. For engineering of electric vehicle batteries, speed and fidelity of electrochemical models is paramount in a competitive landscape. Physics-based models allow for high fidelity but require detailed knowledge of the cell component material properties. Acquiring these material characteristics typically requires time-consuming and expensive experiments limiting the ability to quickly screen through cell designs. One approach to circumvent costly experiments is to use molecular dynamics to calculate electrolyte transport properties. We demonstrate how cell modeling using simulated transport properties enables predictions of cell level metrics, allowing for experiment-free component screening. We also show how the variation in transport property predictions from molecular dynamics affects the final cell level performance predictions.

“…The pulse characterization allows us to estimate electrochemical phenomena as needed and is in line with our previous work at the electrode level. 79…”

Section: Methodsmentioning

confidence: 99%

Quantifying Aging-Induced Irreversible Volume Change of Porous Electrodes

Garrick,

Miao,

Macciomei

et al. 2023

Self Cite

Automotive manufacturers are working to improve cell and pack design by increasing their performance, durability, and range. One of the critical factors to consider as the industry moves towards materials with higher energy density is the ability to consider the irreversible volume change characteristic of the accelerated SEI layer growth tied to the large volume change and particle cracking typically associated with active material strain. As the time from initial design to manufacture of electric vehicle is decreased in order to rapidly respond to consumer demands and widespread adoption of electric vehicles, the ability to link aging and volume change to end of life vehicle requirements using virtual tools is critical. In this study, apply a mechano-electrochemical model to determine the irreversible volume change at the electrode and cell level, allowing for virtual design iterations to predict the volume change at battery cell aged states.