First-Principles Molecular Dynamics Study of a NaF–AlF3 Molten Salt with a Low Molecular Ratio

被引：0
|
作者：
Laixin Zhang
Xiumin Chen
Hengwei Yan
Zhanwei Liu
机构：
[1] Faculty of Metallurgical and Energy Engineering,
[2] Kunming University of Science and Technology,undefined
[3] National Engineering Laboratory for Vacuum Metallurgy,undefined
[4] Kunming University of Science and Technology,undefined
来源：
Russian Journal of Physical Chemistry A | 2023年 / 97卷
关键词：
low temperature aluminum electrolysis; NaF–AlF; molecular dynamics simulation; molten salt structure;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
页码：1558 / 1566
页数：8
相关论文
共 50 条
  • [21] A first-principles molecular dynamics study of calcium in water
    Lightstone, FC
    Schwegler, E
    Allesch, M
    Gygi, F
    Galli, G
    CHEMPHYSCHEM, 2005, 6 (09) : 1745 - 1749
  • [22] First-principles molecular dynamics study on the behaviors of Cs in a mixed system of liquid metal and LiCl-KCl molten salt
    Zhou, Wentao
    Song, Jia
    Lin, Lve
    Zhang, Xinyu
    Guo, Shaoqiang
    Wang, Yafei
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2024, 26 (38) : 24931 - 24940
  • [23] First principles molecular dynamics of molten NaCl
    Galamba, N.
    Cabral, B. J. Costa
    JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (12):
  • [24] First-principles molecular dynamics of liquid rubidium at low density
    Alemany, MMG
    Martins, JL
    Cabral, BJC
    JOURNAL OF NON-CRYSTALLINE SOLIDS, 2004, 347 (1-3) : 100 - 105
  • [25] MOLECULAR DYNAMICS STUDY OF STRUCTURE IN MOLTEN SALT SOLUTION NaF-CaF2
    CHENC Zhaonian JIA Zhengming CHEN Nianyi Shanghai Institute of Metallurgy
    Acta Metallurgica Sinica(English Edition), 1993, (11) : 324 - 330
  • [26] Shear viscosities and thermal conductivity of NaF-AlF3 molten salts: A non-equilibrium molecular dynamics study
    Lv, Xiaojun
    Chen, Chang
    Han, Zexun
    Guan, Chaohong
    Xu, Zhenming
    JOURNAL OF FLUORINE CHEMISTRY, 2021, 241
  • [27] First-principles molecular dynamics study of Al/Alq3 interfaces
    Takeuchi, Kousuke
    Yanagisawa, Susumu
    Morikawa, Yoshitada
    SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS, 2007, 8 (03) : 191 - 195
  • [28] First-Principles Molecular Dynamics Simulations of UCln-NaCl (n=3, 4) Molten Salts
    Li, Bo
    Dai, Sheng
    Jiang, De-en
    ACS APPLIED ENERGY MATERIALS, 2019, 2 (03) : 2122 - 2128
  • [29] First-principles molecular dynamics study of the behavior of tritium in molten LiF-BeF2 eutectic
    Wang, Hui
    Yue, Baohua
    Yan, Liuming
    Jiang, Tao
    Peng, Shuming
    JOURNAL OF MOLECULAR LIQUIDS, 2022, 345
  • [30] Proton transfer in Nafion: First-principles molecular dynamics study
    Choe, Yoong-Kee
    Tsuchida, Eiji
    Ikeshoji, Tamio
    Yamakawa, Shunsuke
    Hyodo, Shi-Aki
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 234
12345