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@INPROCEEDINGS{Alizadeh:1053947,
      author       = {Alizadeh, Roghayeh and Meier-Merziger, Jule and Raijmakers,
                      Luc and Chayambuka, Kudakwashe and Durmus, Yasin Emre and
                      Tempel, Hermann and Eichel, Rüdiger-A.},
      title        = {{P}hysics-based modelling of ion transport in {A}l-ion
                      battery electrolytes},
      school       = {RWTH Aachen},
      reportid     = {FZJ-2026-01624},
      year         = {2025},
      abstract     = {Rechargeable 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.},
      month         = {Apr},
      date          = {2025-04-02},
      organization  = {Advanced Battery Power Conference,
                       Aachen (Germany), 2 Apr 2025 - 3 Apr
                       2025},
      subtyp        = {Extended abstract},
      cin          = {IET-1},
      cid          = {I:(DE-Juel1)IET-1-20110218},
      pnm          = {1223 - Batteries in Application (POF4-122) / HITEC -
                      Helmholtz Interdisciplinary Doctoral Training in Energy and
                      Climate Research (HITEC) (HITEC-20170406)},
      pid          = {G:(DE-HGF)POF4-1223 / G:(DE-Juel1)HITEC-20170406},
      typ          = {PUB:(DE-HGF)24},
      url          = {https://juser.fz-juelich.de/record/1053947},
}