[25a-12C-1~9] 1.4 Energy conversion, storage, resources and environment

11:00 AM - 11:15 AM JST(2:00 AM - 2:15 AM UTC)

[25a-12C-8] Transport properties of LiPF6 in binary solvent system - A molecular dynamics simulation

〇Tetsu Kiyobayashi¹, Satoshi Uchida¹, Hiroyuki Ozaki¹, Kenji Kiyohara¹ (1.AIST)

Keywords:

transport phenomena,correlation functions,ion dissociation

For the electrolyte of rechargeable Li-ion batteries, Li-salt (e.g., LiPF6) is usually dissolved in a binary solvent system (e.g., ethylene carbonate + dimethylcarbonate). The present molecular dynamics simulation reveals the role of each solvent component in determining the transport properties, such as the diffusivity, conductivity, and shear viscosity.