journal article·2026-04

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

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

Applied Physics A· Volume 132· Issue 4
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Abstract

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OpenAlex topics: Molten salt chemistry and electrochemical processes · Thermal Expansion and Ionic Conductivity · Advanced Battery Materials and Technologies

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References (38)

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1. J.M. Runge, A Brief History of Aluminum and Its Alloys, in The Metallurgy of Anodizing Aluminum: Connecting Science to Practice. ed. by J.M. Runge (Springer International Publishing, Cham, 2018), pp.1–63. https://doi.org/10.1007/978-3-319-72177-4_110.1007/978-3-319-72177-4_1 ↗
2. A.P. Ratvik, R. Mollaabbasi, H. Alamdari, Aluminium production process: from Hall–Héroult to modern smelters. ChemTexts 8, 10 (2022). https://doi.org/10.1007/s40828-022-00162-510.1007/s40828-022-00162-5 ↗
3. S.K. Das, W.J. Long, H.W. Hayden, J.A.S. Green, W.H. Hunt, Energy implications of the changing world of aluminum metal supply. JOM. 56, 14–17 (2004). https://doi.org/10.1007/s11837-004-0175-610.1007/s11837-004-0175-6 ↗
4. X. Li, Y. Liu, T. Zhang, A comprehensive review of aluminium electrolysis and the waste generated by it. Waste Manag. Res. 41, 1498–1511 (2023). https://doi.org/10.1177/0734242X23116432110.1177/0734242X231164321 ↗
5. M. Fallah Fini, G. Soucy, M. Désilets, D. Lombard, P. Pelletier, R. Paulus, Chemically induced sludge formation in Hall-Héroult process. Minerals Eng. 156, 106527 (2020). https://doi.org/10.1016/j.mineng.2020.10652710.1016/j.mineng.2020.106527 ↗
6. H. Kvande, P.A. Drabløs, The aluminum smelting process and innovative alternative technologies. J. Occup. Environ. Med. 56, S23 (2014). https://doi.org/10.1097/JOM.000000000000006210.1097/JOM.0000000000000062 ↗
7. H. Zhang, T. Li, J. Li, S. Yang, Z. Zou, Progress in aluminum electrolysis control and future direction for smart aluminum electrolysis plant. JOM 69, 292–300 (2017). https://doi.org/10.1007/s11837-016-2150-410.1007/s11837-016-2150-4 ↗
8. W.C. Sleppy, C.N. Cochran, Bench Scale Electrolysis of Alumina in Sodium Fluoride - Aluminum Fluoride Melts Below 900°C, in Essential Readings in Light Metals: Volume 2 Aluminum Reduction Technology. ed. by G. Bearne, M. Dupuis, G. Tarcy (Springer International Publishing, Cham, 2016), pp.1089–1094. https://doi.org/10.1007/978-3-319-48156-2_15910.1007/978-3-319-48156-2_159 ↗
9. B. Gao, H. Niu, Y. Guan, Z. Wang, J. Liu, M.P. Taylor, J.J.J. Chen, Visualization of anode effect in aluminum electrolysis. J. Electrochem. Soc. 169, 013505 (2022). https://doi.org/10.1149/1945-7111/ac4bf510.1149/1945-7111/ac4bf5 ↗
10. L. Ying, Y. Lin, W. Liwei, W. Dianlong, L. Zhimin, P. Kahhal, Y. Yunfeng, P. Zhenzhen, Effect of plasma-sprayed NiFe2O4 coatings on the corrosion behavior of Ni-Fe-Co-Cu alloy anode in KF-NaF-AlF3 electrolyte for aluminum electrolysis. J. Alloys Compd. 1041, 183849 (2025). https://doi.org/10.1016/j.jallcom.2025.18384910.1016/j.jallcom.2025.183849 ↗
11. S.K. Padamata, K. Singh, G.M. Haarberg, G. Saevarsdottir, Anodic behavior of Ni48Fe47Cu5 and Ni42Fe38Cu20 in potassium-rich NaF-KF-AlF3-Al2O3 melts. JOM 76, 3275–3283 (2024). https://doi.org/10.1007/s11837-024-06512-710.1007/s11837-024-06512-7 ↗
12. K. Singh, G. Gunnarsson, J.H. Magnusson, G.M. Haarberg, G. Saevarsdottir, Performance evaluation of low-temperature KF-NaF-AlF3 electrolytes for aluminum electrolysis using vertical inert Cu–Ni–Fe alloy anodes. J. Electrochem. Soc. 170, 113507 (2023). https://doi.org/10.1149/1945-7111/ad0bae10.1149/1945-7111/ad0bae ↗
13. T. Jiang, J. Xu, C. Ge, J. Pang, J. Zhang, G.M. Haarberg, S. Xiao, T. Jiang, J. Xu, C. Ge, J. Pang, J. Zhang, G.M. Haarberg, S. Xiao, Electrophoretically deposited TiB2 coatings in NaF-AlF3 melt for corrosion resistance in liquid zinc. Coatings (2024). https://doi.org/10.3390/coatings1408102110.3390/coatings14081021 ↗
14. B. Chen, J. Peng, Y. Wang, Y. Di, Study on Liquidus temperature of NaF-KF-LiF-AlF3 system with low cryolite ratio. Metall. Mater. Trans. B 51, 1181–1189 (2020). https://doi.org/10.1007/s11663-020-01800-410.1007/s11663-020-01800-4 ↗
15. L. Cassayre, P. Palau, P. Chamelot, L. Massot, Properties of low-temperature melting electrolytes for the aluminum electrolysis process: a review. J. Chem. Eng. Data 55, 4549–4560 (2010). https://doi.org/10.1021/je100214x10.1021/je100214x ↗
16. R. Chen, G. Wu, Q. Zhang, Phase diagram of the system KF–AlF3. J. Am. Ceram. Soc. 83, 3196–3198 (2000). https://doi.org/10.1111/j.1151-2916.2000.tb01703.x10.1111/j.1151-2916.2000.tb01703.x ↗
17. J. Híveš, P. Fellner, J. Thonstad, Transport numbers in the molten system NaF–KF–AlF3–Al2O3. Ionics 19, 315–319 (2013). https://doi.org/10.1007/s11581-012-0736-610.1007/s11581-012-0736-6 ↗
18. A.A. Redkin, O. Tkacheva, Electrical conductivity of molten fluoride−oxide melts. J. Chem. Eng. Data 55, 1930–1939 (2010). https://doi.org/10.1021/je900925510.1021/je9009255 ↗
19. F. Zhang, J. You, A. Canizarès, X. Tang, L. Lu, C. Bessada, Q. Zhang, S. Wan, Z. Zhang, Quantitative studies on the microstructure evolution and its impact on the viscosity of a molten Al2O3-Na3AlF6 system by Raman spectroscopy and theoretical simulations. J. Mol. Liq. 396, 123732 (2024). https://doi.org/10.1016/j.molliq.2023.12373210.1016/j.molliq.2023.123732 ↗
20. X. Lv, Z. Xu, J. Li, J. Chen, Q. Liu, Molecular dynamics investigation on structural and transport properties of Na3AlF6–Al2O3 molten salt. J. Mol. Liq. 221, 26–32 (2016). https://doi.org/10.1016/j.molliq.2016.05.06410.1016/j.molliq.2016.05.064 ↗
21. A.S. Özen, Z. Akdeniz, Structure and bonding in cryolitic melts a combined study by density functional theory and ionic model calculations. J. Mol. Liq. 368, 120771 (2022). https://doi.org/10.1016/j.molliq.2022.12077110.1016/j.molliq.2022.120771 ↗
22. X. Lv, Z. Han, J. Chen, L. Jiang, Z. Xu, Q. Liu, First-principles molecular dynamics study of ionic structure and transport properties of LiF-NaF-AlF3 molten salt. Chem. Phys. Lett. 706, 237–242 (2018). https://doi.org/10.1016/j.cplett.2018.06.00510.1016/j.cplett.2018.06.005 ↗
23. K. Betsis, K. Karalis, A. Xenidis, Ab initio molecular dynamics simulation study on the molten structure of cryolite to the cryolitic bath, Na3 AlF6 –AlF3 –Al2 O3 –CaF2. ACS Omega 10, 41820–41827 (2025). https://doi.org/10.1021/acsomega.5c0578110.1021/acsomega.5c05781 ↗
24. X. Lv, Z. Han, C. Guan, L. Jiang, S. Wu, Ionic micro-structure and transport properties of low-temperature aluminium electrolytes containing potassium cryolite and sodium cryolite. Phys. Chem. Chem. Phys. 21, 16573–16582 (2019). https://doi.org/10.1039/C9CP02811K10.1039/C9CP02811K ↗
25. J.M. Ziman, Principles of the Theory of Solids, 2nd ed. (Cambridge University Press, Cambridge, 1972). https://doi.org/10.1017/CBO978113964407510.1017/CBO9781139644075 ↗
26. F.J. Spera, M.S. Ghiorso, D. Nevins, Structure, thermodynamic and transport properties of liquid MgSiO3: comparison of molecular models and laboratory results. Geochim. Cosmochim. Acta 75, 1272–1296 (2011). https://doi.org/10.1016/j.gca.2010.12.00410.1016/j.gca.2010.12.004 ↗
27. N. de Koker, Structure, thermodynamics, and diffusion in CaAl2Si2O8 liquid from first-principles molecular dynamics. Geochim. Cosmochim. Acta. 74, 5657–5671 (2010). https://doi.org/10.1016/j.gca.2010.02.02410.1016/j.gca.2010.02.024 ↗
28. R. Kubo, The fluctuation-dissipation theorem. Rep. Prog. Phys. 29, 255 (1966). https://doi.org/10.1088/0034-4885/29/1/30610.1088/0034-4885/29/1/306 ↗
29. V.R. Manga, N. Swinteck, S. Bringuier, P. Lucas, P. Deymier, K. Muralidharan, Interplay between structure and transport properties of molten salt mixtures of ZnCl2-NaCl-KCl: a molecular dynamics study. J. Chem. Phys. 144, 094501 (2016). https://doi.org/10.1063/1.494258810.1063/1.4942588 ↗
30. M.-C. Pang, M. Marinescu, H. Wang, G. Offer, Mechanical behaviour of inorganic solid-state batteries: can we model the ionic mobility in the electrolyte with Nernst–Einstein’s relation? Phys. Chem. Chem. Phys. 23, 27159–27170 (2021). https://doi.org/10.1039/D1CP00909E10.1039/D1CP00909E ↗
31. T. Wu, S. He, Y. Liang, Q. Wang, Molecular dynamics simulation of the structure and properties for the CaO–SiO2 and CaO–Al2O3 systems. J. Non-Cryst. Solids 411, 145–151 (2015). https://doi.org/10.1016/j.jnoncrysol.2014.12.03010.1016/j.jnoncrysol.2014.12.030 ↗
32. Y. Zhang, L. Zhang, H. Yan, Z. Liu, X. Chen, First-principles calculation of ion structures and transport properties of NaF–KF–AlF3 low-temperature electrolytes at various temperatures. Russ. J. Inorg. Chem. 69, 2109–2117 (2024). https://doi.org/10.1134/S003602362460264210.1134/S0036023624602642 ↗
33. H. Guo, J. Li, H. Zhang, T. Li, J. Luo, X. Yu, S. Wu, C. Zong, First-principles molecular dynamics investigation on KF-NaF-AlF3 molten salt system. Chem. Phys. Lett. 730, 587–593 (2019). https://doi.org/10.1016/j.cplett.2019.06.06010.1016/j.cplett.2019.06.060 ↗
34. X. Lv, Z. Han, H. Zhang, Q. Liu, J. Chen, L. Jiang, Ionic structure and transport properties of KF–NaF–AlF3 fused salt: a molecular dynamics study. Phys. Chem. Chem. Phys. 21, 7474–7482 (2019). https://doi.org/10.1039/C9CP00377K10.1039/C9CP00377K ↗
35. X. Lv, Z. Xu, J. Li, J. Chen, Q. Liu, Theoretical investigation on local structure and transport properties of NaFAlF3 molten salts under electric field environment. J. Mol. Struct. 1117, 105–112 (2016). https://doi.org/10.1016/j.molstruc.2016.03.07610.1016/j.molstruc.2016.03.076 ↗
36. M.-M. Walz, D. van der Spoel, Microscopic origins of conductivity in molten salts unraveled by computer simulations. Commun. Chem. 4, 9 (2021). https://doi.org/10.1038/s42004-020-00446-210.1038/s42004-020-00446-2 ↗
37. B. Wang, Research trends on the transport characteristics and microstructure of high temperature molten salt in aluminum electrolyte. Metall. Eng. 07, 137–146 (2020). https://doi.org/10.12677/MEng.2020.7302010.12677/MEng.2020.73020 ↗
38. H. Guo, J. Li, H. Zhang, J. Luo, J. Wang, C. Mou, S. Wu, C. Zong, Study on micro-structure and transport properties of KF-NaF-AlF3-Al2O3 system by first-principles molecular dynamics simulation. J. Fluorine Chem. 235, 109546 (2020). https://doi.org/10.1016/j.jfluchem.2020.10954610.1016/j.jfluchem.2020.109546 ↗