2023
DOI: 10.1088/1742-6596/2610/1/012058
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Molecular Dynamics Simulation of the Effect of Zr, B, C, W, Ti, Hf, Nb, and Ta Elements on the K3AlF6-Na3AlF6-AlF3 Molten Salt System

Yuhan Zhou,
Zhihao Zhang,
Jing Zeng
et al.

Abstract: The criticality of the physicochemical properties of the K3AlF6-Na3AlF6-AlF3 molten salt system to electrolytic aluminum production is a topic of great interest. In this study, molecular dynamics simulations were conducted to investigate the impact of Zr, B, C, W, Ti, Hf, Nb, and Ta on various properties including the radial distribution function, coordination number, viscosity, and conductivity of the 23.4K3AlF6-54.6Na3AlF6-22AlF3 molten salt electrolyte under conditions of 1173 K and standard atmospheric pre… Show more

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