期刊
POLYMER
卷 55, 期 24, 页码 6282-6292出版社
ELSEVIER SCI LTD
DOI: 10.1016/j.polymer.2014.09.067
关键词
Mechanical property; Molecular dynamics; Porous polypropylene
资金
- U.S. Department of Energy. Office of Science, Basic Energy Sciences [DESC0001160]
- National Science Foundation [CMMI-1030821, CMMI-1235092, CMMI-1418696, CMMI-1358673]
- Directorate For Engineering
- Div Of Civil, Mechanical, & Manufact Inn [1235092, 1030821] Funding Source: National Science Foundation
- Div Of Civil, Mechanical, & Manufact Inn
- Directorate For Engineering [1418696] Funding Source: National Science Foundation
Porous polypropylene (PP) is commonly used as separator materials for lithium ion batteries (LIB). Its mechanical properties, especially critical for abuse tolerance and durability of LIB, are subject to change in different environments. To capture the mechanical responses of a porous PP separator, its microstructure was mapped into separate atomistic models of bulk crystalline phases and oriented amorphous nanofibers. These structures were relaxed and stretched in vacuum, water, and dimethyl carbonate (DMC) using molecular dynamics (MD). The simulation results revealed DMC molecules penetrated into the amorphous PP nanofiber, and reduced the local density and the Young's modulus. In contrast, water increased the Young's modulus of the amorphous PP nanofiber. Furthermore, neither water nor DMC had any impact on the Young's modulus of the crystalline phase. These results suggest that the DMC induced separator softening was attributed to the strong attraction of the less-polar DMC solvent with the amorphous fibrous PP nanofibers. (C) 2014 Elsevier Ltd. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据