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Meeting 2022 TMS Annual Meeting & Exhibition
Symposium Electrode Technology for Aluminum Production
Presentation Title Molecular Dynamic Insights into Carbon Electrode Behaviors of Aluminium Electrolysis
Author(s) Jiaqi of Li, Jie Li, Jingkun Wang, Hongliang Zhang
On-Site Speaker (Planned) Jiaqi of Li
Abstract Scope Carbon electrodes are considered as one of the most important components of aluminum electrolysis cells, which are closely related to the PFC gas emission and alkali metal penetration. In this work, the Lennard-Jones (L-J) potential parameters involving molten electrolytes and carbon electrodes were firstly calculate to represent ion-ion and ion-electrode interactions. Afterwards, the microstructure of different molten electrolytes were investigated based on molecular dynamics simulations, especially for ion distribution of electrode-molten salt interface region. Results show that the accumualtion of counter-ions around electrodes would form some stable electrical double layer (EDL) structures, which directly determine electrode properties such as capacitance values. Besides, the shift of ionic complex in surface layer deciphered the twin-peak behavior of electrolytes nearby carbon anodes. This fundamental research would contribute to a deeper knowledge of phenomena taking place near carbon electrodes and the optimization design of aluminum electrolytes.
Proceedings Inclusion? Planned: Light Metals


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