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<p>In this study, the ionic structure, electronic properties, and transport properties of the NaF-KF-AlF3 molten-salt electrolyte system with a molecular ratio of 1.4 and a NaF content of 25&#xa0;mol% − 45&#xa0;mol% were investigated at the microscopic level to elucidate its physicochemical behavior. The result indicated that the ion diffusion in molten salt followed the order of Na + &gt; K+&gt; F-&gt; Al3+. The calculated ionic conductivity is ranged from 0.8&#xa0;S/cm to 1.35&#xa0;S/cm, while the viscosity varied between 1.0 mPa·s − 1.8 mPa·s. Among the compositions studied, electrolytes containing 40&#xa0;mol% NaF exhibited optimal transport properties, making it the most suitable candidate for use as an aluminum electrolysis electrolyte in inert anode systems.</p> Graphical Abstract <p></p>

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A study of transport properties and molecular dynamics in inert anode molten-salt electrolyte

  • 期刊论文

  • 发表日期：

    2026年3月11日

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  • Mingyi Hu,
  • Wanzhang Yang,
  • Hengwei Yan,
  • Zhanwei Liu,
  • Xiumin Chen,
  • Guang Yang,
  • Laixin Zhang

摘要

In this study, the ionic structure, electronic properties, and transport properties of the NaF-KF-AlF3 molten-salt electrolyte system with a molecular ratio of 1.4 and a NaF content of 25 mol% − 45 mol% were investigated at the microscopic level to elucidate its physicochemical behavior. The result indicated that the ion diffusion in molten salt followed the order of Na + > K+> F-> Al3+. The calculated ionic conductivity is ranged from 0.8 S/cm to 1.35 S/cm, while the viscosity varied between 1.0 mPa·s − 1.8 mPa·s. Among the compositions studied, electrolytes containing 40 mol% NaF exhibited optimal transport properties, making it the most suitable candidate for use as an aluminum electrolysis electrolyte in inert anode systems.

Graphical Abstract