MULTI-SCALE MODELLING OF LITHIUM-ION BATTERIES: FROM TRANSPORT PHENOMENA TO THE OUTBREAK OF THERMAL RUNWAY

date: 15.07.2021

category: Sporočila za javnost

 

Researchers at the Faculty of Mechanical Engineering presented an original battery modelling framework arising from the key hypothesis that nanoscopic transport phenomena and the resulting heat generation decisively influence the entire chain of mechanisms that can lead to the outbreak of the thermal runaway of the battery. This is confirmed by developing and demonstrating the application of an innovative multi-scale battery modelling framework that is based on the continuous modelling approach featuring more consistent virtual representation of the electrode topology and incorporating coupled chain of models for heat generations and side reactions.

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A schematic representation of the interactions between main and side reactions including transport phenomena and the heat generation with indicated mesoscale inspired topological representation of the electrode topology.

As a result, the battery modelling framework for the first time enables the modelling of heterogeneous, spatially and temporally resolved, main and side reaction, relevant to the outbreak of the thermal runaway, during real battery operation within a multi-domain model. This enables insightfully elucidating the entire chain of phenomena from electric and thermal boundary conditions, over cell design and properties of applied materials to solid electrolyte interphase growth, its decomposition and subsequent side reactions at the anode, cathode, and the electrolyte that lead to the thermal runaway. Therefore, the presented advanced multi-scale battery modelling framework represents a contribution to the advanced virtual development of batteries and contributes to tailoring battery design to a specific application.

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A schematic representation of the interactions between main and side reactions including transport phenomena and the heat generation with indicated mesoscale inspired topological representation of the electrode topology.

This very comprehensive and proprietary modelling framework, published in the high impact journal Energy Conversion and Management (IF = 9.709), was one of the key models for virtually assessing safety in the H2020 project OBELICS ‐ Optimization of scalaBle rEaltime modeLs and functIonal testing for e‐drive ConceptS featuring a consortium composed of leading EU OMEs, suppliers, RTOs and Universities. Furthermore, this modelling framework is also an important exploitable result, as it is applied in multiple current international publicly funded interdisciplinary projects (including H2020 project BIG-MAP) and industrial projects. The model is also integrated in the professional software suite of one of the leading professional software vendors of powertrain tools.

Link to the article: 10.1016/j.enconman.2021.114036

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