Ab Initio Molecular Dynamics Simulation of Microstructure and Transport Properties of K<sub>3</sub>AlF<sub>6</sub>-2.2NaF-AlF<sub>3</sub> System

Ab Initio Molecular Dynamics Simulation of Microstructure and Transport Properties of K<sub>3</sub>AlF<sub>6</sub>-2.2NaF-AlF<sub>3</sub> System

Researching the aluminum molten salt system has always been challenging because of the high temperature and significant corrosion seen in the aluminum electrolysis industry. This paper employs ab initio molecular dynamics simulations to investigate the ionic structure and transport features of the K...

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Bibliographic Details
Main Authors: Jingkun Wang, Can Chen, Hongliang Zhang, Jiaqi Li
Format: Article
Language:English
Published: MDPI AG 2023-08-01
Series:Metals
Subjects:
aluminum electrolysis
K-rich salt aluminum electrolyte
molecular dynamics simulation
ion structure
transport properties
Online Access:https://www.mdpi.com/2075-4701/13/9/1521

Internet

https://www.mdpi.com/2075-4701/13/9/1521

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