锂离子电池隔膜材料中离子扩散问题的随机行走模拟  

The Random Walk Simulation of the Ions Diffusion in the Membrane Materials of Lithium-Ion Battery

作　　者：柯佳颖[1] 傅应强[1] 陈莉莉[1] 陈天南[1] 张世界[1] 王洪波[1] 赵健伟[1] 

机构地区：[1]南京大学化学化工学院,南京210008

出　　处：《复旦学报（自然科学版）》2012年第2期251-254,258,共5页Journal of Fudan University：Natural Science

基　　金：国家自然科学基金资助项目(20821063;20873063;51071084);国家重点基础研究发展计划(973计划)资助项目(2010CB732400);江苏省自然科学基金资助项目(BK2010389)

摘　　要：基于自主开发的随机行走模拟软件对锂离子电池隔膜材料中离子扩散问题进行了模拟研究.系统地考察了驱动电势、隔膜平均孔径以及隔膜骨架与离子之间的弱相互作用等因素对锂离子扩散行为的影响.结果表明,锂离子在隔膜材料中的扩散受离子驱动电势和孔道平均孔径影响较大.该研究为锂离子电池设计与优化提供一定的理论参考.Based on the self-developed large-scale random walk simulaton software, something has been studied the diffusion behavior of lithium cation in the membrane materials. Systematic studies on the factors that influence the lithium ions diffusion in the membrane materials such as directed migration rate, the average pore diameter of the membrane and the plastic collision between the membrane skeletons and ions were carried out. The results show that the directed migration rate and the average pore diameter of the membrane greatly influence the diffusion behavior of the lithium ions in membrane materials. It is provide the theoretical supports to the design of the lithium-ion battery.

关 键 词：随机行走模拟 锂离子电池 离子扩散 

分 类 号：O657[理学—分析化学]