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Mathematical modeling of oxygen crossover in a lithium-oxygen battery

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  • Esfahanian, Vahid
  • Dalakeh, Muhammad Taghi
  • Aghamirzaie, Navid

Abstract

High energy density lithium-air batteries are ideal storage systems for future transportation like electric vehicles. The theoretical energy density of lithium-oxygen batteries is more than ten times greater than the energy density of lithium-ion batteries which are currently used in electric vehicles. In spite of high energy density of lithium-oxygen batteries, there are several challenges that need to be overcome for development of these batteries. In the lithium-air batteries, oxygen crosses the separator to the anode/separator interface and reacts with the lithium anode known as oxygen crossover which is one the main challenges in lithium-air batteries. In the present study, this phenomenon, oxygen crossover, is investigated by Arrhenius equation for simulation of reaction kinetics. A mathematical model based on Newman porous electrode theory is implemented to simulate the cycling performance. The effect of diffusion coefficient, oxygen solubility, applied current density and oxygen crossover reaction kinetics parameter on the performance of the battery are investigated. The results show that with the reduction of diffusion coefficient and oxygen solubility in the electrolyte, the cycling performance is enhanced. But the increase in these two parameters leads to decay of efficiency and specific capacity. On the other hand, change in kinetics parameters have the same effects on the efficiency and cycling performance of the battery. Therefore, the key point in the performance enhancement is making barrier in the oxygen crossover reaction path.

Suggested Citation

  • Esfahanian, Vahid & Dalakeh, Muhammad Taghi & Aghamirzaie, Navid, 2019. "Mathematical modeling of oxygen crossover in a lithium-oxygen battery," Applied Energy, Elsevier, vol. 250(C), pages 1356-1365.
    • Handle: RePEc:eee:appene:v:250:y:2019:i:c:p:1356-1365
    DOI: 10.1016/j.apenergy.2019.04.124
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    References listed on IDEAS

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    1. Tan, Peng & Wei, Zhaohuan & Shyy, W. & Zhao, T.S., 2013. "Prediction of the theoretical capacity of non-aqueous lithium-air batteries," Applied Energy, Elsevier, vol. 109(C), pages 275-282.
    2. Tan, P. & Shyy, W. & Zhao, T.S. & Zhang, R.H. & Zhu, X.B., 2016. "Effects of moist air on the cycling performance of non-aqueous lithium-air batteries," Applied Energy, Elsevier, vol. 182(C), pages 569-575.
    3. Tan, P. & Jiang, H.R. & Zhu, X.B. & An, L. & Jung, C.Y. & Wu, M.C. & Shi, L. & Shyy, W. & Zhao, T.S., 2017. "Advances and challenges in lithium-air batteries," Applied Energy, Elsevier, vol. 204(C), pages 780-806.
    4. Ren, Y.X. & Zhao, T.S. & Tan, P. & Wei, Z.H. & Zhou, X.L., 2017. "Modeling of an aprotic Li-O2 battery incorporating multiple-step reactions," Applied Energy, Elsevier, vol. 187(C), pages 706-716.
    5. Tan, Peng & Ni, Meng & Shao, Zongping & Chen, Bin & Kong, Wei, 2017. "Numerical investigation of a non-aqueous lithium-oxygen battery based on lithium superoxide as the discharge product," Applied Energy, Elsevier, vol. 203(C), pages 254-266.
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    Cited by:

    1. Wang, Yuanhui & Hao, Liang & Bai, Minli, 2023. "Modeling the influence of water on the performance of non-aqueous Li-O2 batteries," Applied Energy, Elsevier, vol. 330(PB).
    2. Qiang Li & Tanghu Zhang & Tianyu Zhang & Zhichao Xue & Hong Sun, 2022. "Study on Two-Phase Permeation of Oxygen and Electrolyte in Lithium Air Battery Electrode Based on Digital Twin," Energies, MDPI, vol. 15(19), pages 1-12, September.
    3. Wei, Manhui & Wang, Keliang & Pei, Pucheng & Zhong, Liping & Züttel, Andreas & Pham, Thi Ha My & Shang, Nuo & Zuo, Yayu & Wang, Hengwei & Zhao, Siyuan, 2023. "Zinc carboxylate optimization strategy for extending Al-air battery system's lifetime," Applied Energy, Elsevier, vol. 350(C).

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