离子液体电解液的模拟计算方法及应用

岳博文, 佟佳欢, 刘玉文, 霍锋

Simulation calculation method and application of ionic liquid electrolyte

Bowen YUE, Jiahuan TONG, Yuwen LIU, Feng HUO

图7 [Pyr13][TFSI]/MeTFSI(Me=Li+ 、Na+ 、Mg2+ 、Zn2+)中金属阳离子的(a)停留时间和(b)停留时间内的平均移动距离[40]；[Pyr14][TFSI]/MeTFSI(Me=Li+ 、Ni2+ 等)中[pyr14]的(c)均方位移对数表示曲线和(d)自扩散系数[41]

Fig. 7 (a) metal cation residence time and (b) displacement of metal cations during residence time of [Pyr14][TFSI]/MeTFSI (Me= Li+, Na+, Mg+, Zn2+)[40]; (c) logarithmic representation of mean squared and (d) self-diffusion coefficients for [pyr14] of [Pyr14][TFSI] / MeTFSI (Me= Li+, Ni2+)[41]