001053947 001__ 1053947
001053947 005__ 20260206202203.0
001053947 037__ $$aFZJ-2026-01624
001053947 041__ $$aEnglish
001053947 1001_ $$0P:(DE-Juel1)200272$$aAlizadeh, Roghayeh$$b0$$ufzj
001053947 1112_ $$aAdvanced Battery Power Conference$$cAachen$$d2025-04-02 - 2025-04-03$$g-$$wGermany
001053947 245__ $$aPhysics-based modelling of ion transport in Al-ion battery electrolytes
001053947 260__ $$c2025
001053947 3367_ $$033$$2EndNote$$aConference Paper
001053947 3367_ $$2BibTeX$$aINPROCEEDINGS
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001053947 3367_ $$0PUB:(DE-HGF)24$$2PUB:(DE-HGF)$$aPoster$$bposter$$mposter$$s1770383330_17482$$xExtended abstract
001053947 502__ $$cRWTH Aachen
001053947 520__ $$aRechargeable aluminium-ion (Al-ion) batteries (RAlBs) are gaining attention as a promising alternative to lithium-ion batteries (LIBs) with advantages in material abundance, cost-efficiency, and safety, especially for large-scale applications like grid energy storage.RAlBs with ionic liquid (IL) electrolytes, such as 1-ethyl-3-methylimidazolium chloride (EMImCl-AlCl₃) are promising due to the aluminium anode's high theoretical volume capacity and mass capacity of 2980 mAh g⁻¹ and 8046 mAh cm⁻³. However, challenges such as oxide film formation on the electrode [1], limited species diffusion rates [2], and reduced ionic mobility [3] hinder performance, especially at high current densities. Addressing these issues requires physics-based models and simulations to understand and improve battery performance.Despite advances in modeling electrode design [4, 5], there remains a lack of detailed analysis regarding ion transport within the IL electrolyte. Recent experiments have shown that the limited mobility of ions or lower ionic conductivity can lead to significant energy losses, impacting overpotential, especially at high current densities [4]. This makes modeling of electrolyte behavior a priority, as its effects on overall battery performance is substantial, yet still poorly understood. Developing accurate models for ion transport and electrolyte behavior is key to overcoming these performance barriers and advancing the commercialization of RAlBs.In this study, we developed a physics-based battery model, based on the Stefan-Maxwell approach, to simulate ion transport in an EMImCl-AlCl₃ IL electrolyte with separator under various operational temperatures and applied current densities. The Stefan-Maxwell approach is selected for its ability to account for ion interactions in concentrated multi-component solutions [2]. In the model, flux transport laws were established for each ion, capturing the key phenomena governing ion transport in the electrolyte and their contribution to overall performance losses. These laws were then integrated into mass balance equations to give an insight into the concentration profile across the cell. For performing simulations, model parameters, such as the initial concentration, ionic diffusion coefficients and conductivity, were adopted from the literatures [2, 6].As demonstrated in Fig. 1a, the simulation results illustrate the model's capability to simulate the transportation of anion species within a symmetric Al/Al-cell under an applied current pulse with subsequent rest period. In addition, Fig. 1b shows how the model distinguishes the contributions of various processes governing ionic transport, including diffusion and migration, to the generation of overpotentials within the electrolyte.These findings represent an important first step toward simulating IL electrolyte behaviour using model-based approaches for Al-ion batteries. Future work will focus on extending the model to the entire cell and optimizing parameters across a broad range of conditions. Additionally, by directly extracting physical parameters from RAlB systems, we aim to further improve the model's ability to capture real-world performance more precisely.
001053947 536__ $$0G:(DE-HGF)POF4-1223$$a1223 - Batteries in Application (POF4-122)$$cPOF4-122$$fPOF IV$$x0
001053947 536__ $$0G:(DE-Juel1)HITEC-20170406$$aHITEC - Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC) (HITEC-20170406)$$cHITEC-20170406$$x1
001053947 65027 $$0V:(DE-MLZ)SciArea-110$$2V:(DE-HGF)$$aChemistry$$x0
001053947 65017 $$0V:(DE-MLZ)GC-110$$2V:(DE-HGF)$$aEnergy$$x0
001053947 7001_ $$0P:(DE-Juel1)200270$$aMeier-Merziger, Jule$$b1$$ufzj
001053947 7001_ $$0P:(DE-Juel1)176196$$aRaijmakers, Luc$$b2
001053947 7001_ $$0P:(DE-HGF)0$$aChayambuka, Kudakwashe$$b3
001053947 7001_ $$0P:(DE-Juel1)162243$$aDurmus, Yasin Emre$$b4
001053947 7001_ $$0P:(DE-Juel1)161208$$aTempel, Hermann$$b5
001053947 7001_ $$0P:(DE-Juel1)156123$$aEichel, Rüdiger-A.$$b6
001053947 909CO $$ooai:juser.fz-juelich.de:1053947$$pVDB
001053947 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)200272$$aForschungszentrum Jülich$$b0$$kFZJ
001053947 9101_ $$0I:(DE-588b)36225-6$$6P:(DE-Juel1)200272$$aRWTH Aachen$$b0$$kRWTH
001053947 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)200270$$aForschungszentrum Jülich$$b1$$kFZJ
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001053947 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)161208$$aForschungszentrum Jülich$$b5$$kFZJ
001053947 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)156123$$aForschungszentrum Jülich$$b6$$kFZJ
001053947 9101_ $$0I:(DE-588b)36225-6$$6P:(DE-Juel1)156123$$aRWTH Aachen$$b6$$kRWTH
001053947 9131_ $$0G:(DE-HGF)POF4-122$$1G:(DE-HGF)POF4-120$$2G:(DE-HGF)POF4-100$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-1223$$aDE-HGF$$bForschungsbereich Energie$$lMaterialien und Technologien für die Energiewende (MTET)$$vElektrochemische Energiespeicherung$$x0
001053947 920__ $$lyes
001053947 9201_ $$0I:(DE-Juel1)IET-1-20110218$$kIET-1$$lGrundlagen der Elektrochemie$$x0
001053947 980__ $$aposter
001053947 980__ $$aVDB
001053947 980__ $$aI:(DE-Juel1)IET-1-20110218
001053947 980__ $$aUNRESTRICTED