Prediction of ionic conductivity from adiabatic heating in non-equilibrium molecular dynamics on various test systems

被引:0
作者
Philippe Ungerer
Benoit Minisini
机构
[1] Materials Design SA,
来源
Journal of Molecular Modeling | 2023年 / 29卷
关键词
Ionic conductivity; Non-equilibrium molecular dynamics; Molten salt; Solvent electrolytes;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 112 条
[1]  
Ji Y(2013)Li-ion cell operation at low temperatures J Electrochem Soc 160 A636-10204
[2]  
Zhang Y(2017)Review article: flow battery systems with solid electroactive materials J Vac Sci Technol B 35 040801-23936
[3]  
Wang C-Y(2018)Thermodynamics of ion separation by electrosorption Environ Sci Technol 52 10196-694
[4]  
Qi Z(1998)Electrical conductivity in shaly sands with geophysical applications J Geophys Res Solid Earth 103 23925-53
[5]  
Koenig GM(1998)Nature of surface electrical conductivity in natural sands, sandstones, and clays Geophys Res Lett 25 691-2123
[6]  
Hemmatifar A(1975)Thermodynamic properties and self-diffusion of molten sodium chloride. A molecular dynamics study J Chem Soc, Faraday Trans 2: Mol Chem Phys 71 41-382
[7]  
Ramachandran A(1975)Statistical mechanics of dense ionized matter. IV. Density and charge fluctuations in a simple molten salt Phys Rev A 11 2111-436
[8]  
Liu K(1987)The limiting ionic conductivity of Na J Chem Phys 86 376-509
[9]  
Revil A(1976) and Cl Phys Rev A 13 426-7485
[10]  
Cathles LM(1994) ions in aqueous solutions: molecular dynamics simulation J Chem Phys 101 490-11640