模拟仿真在锂离子电池热安全设计中的应用

杜江龙, 林伊婷, 杨雯棋, 练成, 刘洪来

Application of simulation in thermal safety design of lithium-ion batteries

Jianglong DU, Yiting LIN, Wenqi YANG, Cheng LIAN, Honglai LIU

图5 (a) DMF对电解液的优化[26]；(b) EBC的结构以及EC、EBC、VC的DFT计算结果[27]；(c) AN和吡啶的LUMO和HOMO能量；(d) LiPF6 在AN电解液中分子动力学模拟快照[28]

Fig. 5 (a) optimization of electrolyte by DMF[26]; (b) structure of EBC and DFT calculations for EC, EBC and VC[27]; (c) LUMO and HOMO energies for AN and pyridine; (d) snapshots of molecular dynamics simulations of LiPF6 in AN electrolyte[28]