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9 离子液体电解液在多孔电极电容器中的模拟研究：(a) 电极曲率对微分电容的影响[64]；(b) 离子液体和有机电解液的积分电容与孔隙大小的关系[65]；(c) 由中孔和微孔组成的结构模型，孔内模拟快照及[Bmim]和[TFSI]的离子密度分布[66]；(d) 孔内阳离子和阴离子在电极上的分布[67]

Fig. 9 Simulation of ionic liquid electrolytes in porous electrode capacitor: (a) influence of electrode curvature on differential capacitance[64]; (b) dependence of integral capacitance of an EDLC on pore size for ionic liquid and organic electrolyte[65]; (c) structural model showing mesopore and micropore components, simulation snapshots and ion density distributions of [Bmim] and [TFSI][66]; (d) in-pore cation and anion population at electrodes[67]