Modeling Thermal Runaway of Lithium-Ion Batteries at Cell and Module Level Using Predictive Chemistry
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<div>Thermal runaway of lithium (Li)-ion batteries is a serious concern for engineers developing battery packs for electric vehicles, energy storage, and various other applications due to the serious consequences associated with such an event. Understanding the causes of the onset and subsequent propagation of the thermal runaway phenomenon is an area of active research. It is well known that the thermal runaway phenomenon is triggered when the heat generation rate by chemical reactions within a cell exceeds the heat dissipation rate. Thermal runaway is usually initiated in one or a group of cells due to thermal, mechanical, and electrical abuse such as elevated temperature, crushing, nail penetration, or overcharging. The rate of propagation of thermal runaway to other cells in the battery pack depends on the pack design and thermal management system. Estimating the thermal runaway propagation rate is crucial for engineering safe battery packs and for developing safety testing protocols. Since experimentally evaluating different pack designs and thermal management strategies is both expensive and time consuming, physics-based models play a vital role in the engineering of safe battery packs. In this article, we present all the necessary background information needed for developing accurate thermal runaway models based on predictive chemistry. A framework that accommodates different types of chemical reactions that need to be modeled, such as solid electrolyte interphase (SEI) layer formation and decomposition, anode-solvent and cathode-solvent interactions, electrolyte decomposition, and separator melting, is developed. Additionally, the combustion of vent gas is also modeled. A validated chemistry model is used to develop a module-level model consisting of networks of pouch cells, flow, thermal, and control components, which is then used to study the thermal runaway propagation at different coolant flow rates.</div>Keywords:
Thermal Runaway
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Today, it is common knowledge, that materials science in the field of electrochemical energy storage has to follow a system approach as the interactions between active materials, electrolyte, separator and various inactive materials (binder, current collector, conductive fillers, cell-housing, etc.) which are of similar or even higher importance than the properties and performance parameters of the individual materials only. In particular, for lithium-ion batteries, it is widely accepted that the electrolyte interacts and reacts with the electrodes. Here, we report how reactions at a graphite anode (involving electrolyte decomposition and solid electrolyte interphase (SEI) formation), affect the performance of a LiCoO2 (LCO) cathode and the full lithium-ion cell during cycling. We discuss effects of the SEI-forming electrolyte additive vinylene carbonate (VC) and the influence of graphite anodes with different surface areas on the cycling stability, end of charge (EOC) and end of discharge (EOD) potentials of the LCO cathode. We will thus elucidate the failure mechanism of LCO/graphite cells by showing that the formation and growth of SEI on the anode, resistance increase in the cathode, electrode and electrolyte degradation in general, as well as capacity and power fade of the lithium ion cell are in fact strongly interrelated processes.
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The concentration change of ions in the electrolyte solution in deep narrow spaces between electrodes in batteries was studied by in situ multi-probe Raman spectroscopy. When two separator films were placed at the anode and cathode sides, the concentration change became greater, suggesting that the resistance for ion migration at the anode side increased more than that at the cathode side. Thus, there seems to be a concerted effect of the surface film at the anode [solid electrolyte interphase (SEI)] and the adjacent separator film to form an effective diffusion barrier for Li+.
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The author tells of the electrical property of LMO lithium ion batteries,by using the same LMO material,with different cathode materials and electrolytes.The result shows that the electrical property of the battery is not only the subject to anode material,but also the cathode,including electrolyte and the formation system.When the DMLM-12 LMO material of CITIC Dameng Mining Industries Limited is formed with a battery with HP-1 cathode material,LBS electrolytes,and the formation system is 0.05 C,with current rate charge 180 min,then 0.3 C with current rate charge 60 min.The battery shows that electrical property as the discharge capacity is 108.3 mAh/g,the 50th cycle capacity fading rate is only-4.31%.
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Tin (Sn) is a metal that is commonly used in our daily life. With the rapid development of lithium-ion battery in the past decades, Sn and its alloy, such as Sn-Cu [1] , and Sn-Ni [2] , Sn-Co [3] and Sn-Fe [4] have been used as anode for lithium-ion battery because they can undergo alloying/dealloying process with lithium ions and exhibit high capacity and suitable working voltage of about 0.4 V vs. Li/Li + . Sn can also undergo an oxidation reaction to Sn 2+ , with an electrode potential of about -0.14 V vs. SHE. It is therefore possible to also use Sn as a cathode material. Herein, we are first to demonstrate a metal-metal battery made up of Sn metal as the cathode and Li metal as the anode in organic electrolyte (see Fig. a). Sn foil and Li foil are simply assembled with 3M LiTFSI in dimethoxyethane/propylene carbonate (DME/PC) electrolyte in an Ar-filled glove box to form a pouch cell. During charging, Sn will give out two electrons and dissolves into the electrolyte as Sn 2+ , while during discharging, the metal ions will be re-deposited onto the cathode. Thus, the energy is stored in the form of Sn 2+ in the electrolyte. The charge-discharge curves in Fig. b show that the operating voltage of the battery is about 2.8 V. Since Sn 2+ that is dissolved into the electrolyte from the cathode has higher potential than the Li metal anode, any Sn 2+ ions cross-over to the anode will be spontaneously reduced, decreasing the efficiency of the battery. To suppress such self-discharge process, an anion exchange membrane based on poly(ionic liquid) polymer coated on common polypropylene separator is adopted. The Sn-Li battery with the modified separator tested in a current rate of 0.2 mA cm -2 with a capacity limitation of 0.1 mAh cm -2 gives an average Coulombic efficiency about 99.5% and can be cycled for more than 1500 cycles(See Fig. c). We found that the stripping/deposition of Sn on the cathode, and its polarization depend strongly on the type of electrolyte used. With 3M LiTFSI in DME/PC electrolyte, the discharge voltage is lowered by about 0.05 V when the current density is increased from 0.2 mA cm -2 to 1 mA cm -2 . More results on the factors affecting the charge-discharge performance of Sn-Li batteries will be discussed at the meeting. [1]X. F. Tan, S. D. McDonald, Q. Gu, Y. Hu, L. Wang, S. Matsumura, T. Nishimura, K. Nogita, Journal of Power Sources 2019 , 415, 50. [2]H. Zhang, T. Shi, D. J. Wetzel, R. G. Nuzzo, P. V. Braun, Advanced Materials 2016 , 28, 742. [3]J. Yang, J. Zhang, X. Zhou, Y. Ren, M. Jiang, J. Tang, ACS Applied Materials & Interfaces 2018 , 10, 35216. [4]Z. Lin, X. Lan, X. Xiong, R. Hu, Materials Chemistry Frontiers 2021 , 5, 1185. Figure 1
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Rechargeable magnesium battery has been widely considered as a potential alternative to current Li-ion technology. However, the lack of appropriate cathode with high-energy density and good sustainability hinders the realization of competitive magnesium cells. Recently, a new concept of hybrid battery coupling metal magnesium anode with a cathode undergoing the electrochemical cycling of a secondary ion has received increased attention. Mg-Na hybrid battery, for example, utilizes the dendritic-free deposition of magnesium at the anode and fast Na+-intercalation at the cathode to reversibly store and harvest energy. In the current work, the principles that take the full advantage of metal Mg anode and Na-battery cathode to construct high-performance Mg-Na hybrid battery are described. By rationally applying such design principle, we constructed a Mg-NaCrO2 hybrid battery using metal Mg anode, NaCrO2 cathode and a mixture of all-phenyl complex (PhMgCl-AlCl3, Mg-APC) and sodium carba-closo-dodecaborate (NaCB11H12) as dual-salt electrolyte. The Mg-NaCrO2 cell delivered an energy density of 183 Wh kg-1 at the voltage of 2.3 V averaged in 50 cycles. We found that the amount of electrolyte can be reduced by using solid MgCl2 as additional magnesium reservoir while maintaining comparable electrochemical performance. A hypothetical MgCl2-NaCrO2 hybrid battery is therefore proposed with energy density estimated to be 215 Wh kg-1 and the output voltage over 2 V.
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Abstract : In this quarter, the following tasks were carried out: (1) study of electrode substrates; (2) study of separator materials; (3) study of effects of electrolyte on the air cathode; and (4) full cell testing of improved anode. Proper treatment with catalyst poisons, particularly with S and Se, significantly reduced the excess gas evolution and NH3 content in the evolved gas on nickel plaque anodes, without significantly reducing their potentials. In 3 x 3 inch full cell testing, treatment with catalyst poisons increased the fuel efficiency and the active lives of both the anode and the cathode. The slope of the change of cathode potentials vs. the activity of the electrolyte is less than that on the hydrazine anode, suggesting a slight potential increase for the N2H4 - air full cell with an increase of the activity of the hydroxide electrolyte. The air cathode was not significantly poisoned by any of the impurities tested in the electrolyte, up to 100 ppm, except S. The cathode potentials were severely poisoned by S above 10 ppm in the KOH electrolyte.
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Battery safety is vital to the application of lithium-ion batteries (LIBs), especially for high energy density cells applied in electric vehicles. As an anode material with high theoretical capacity and natural abundance, Si has received extensive attention for LIBs. However, it suffers from severe electrode pulverization during cycling due to large volume changes and an unstable solid electrolyte interphase (SEI), resulting in accelerated capacity fading and even safety hazards. Therefore, safe and long-term cycling of Si-based anodes, especially under high-temperature cycling, is highly challenging for state-of-the-art high-energy LIBs. The thermal behavior of SEI is crucial for a high safety battery as the decomposition of SEI is the first step in thermal runaway. Here, highly reversible and thermotolerant microsized Si anodes for safe LIBs are demonstrated. Comprehensive electrochemical/mechanical/thermochemical behaviors of the SEI are systematically investigated. The rational design of robust SEI endows the Si-based cells with long-term durability at elevated temperatures and superior thermal safety. This work paves the way for designing industrial-scale, low-cost, microsized Si anodes with applications in next-generation LIBs with high energy densities and high safety.
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Poor thermal transport within lithium-ion batteries fundamentally limits their performance, safety, and lifetime, in spite of external thermal management systems. All prior efforts to understand the origin of batteries' mysteriously high thermal resistance have been confined to ex situ measurements without understanding the impact of battery operation. Here, we develop a frequency-domain technique that employs sensors capable of measuring spatially resolved intrinsic thermal transport properties within a live battery while it is undergoing cycling. Our results reveal that the poor battery thermal transport is due to high thermal contact resistance between the separator and both electrode layers and worsens as a result of formation cycling, degrading total battery thermal transport by up to 70%. We develop a thermal model of these contact resistances to explain their origin. These contacts account for up to 65% of the total thermal resistance inside the battery, leading to far-reaching consequences for the thermal design of batteries. Our technique unlocks new thermal measurement capabilities for future battery research.
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