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首页> 外文期刊>Computers, Materials & Continua >Molecular Design of the Solid Copolymer Electrolyte-Poly(styrene-b-ethylene oxide) for Lithium Ion Batteries
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Molecular Design of the Solid Copolymer Electrolyte-Poly(styrene-b-ethylene oxide) for Lithium Ion Batteries

机译：锂离子电池固体共聚物电解质-聚（苯乙烯-b-环氧乙烷）的分子设计

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摘要

Poly(ethylene oxide) (PEO) is a commonly used electrolytic polymer in lithium ion batteries because of its high viscosity which allows fabricating thin layers. However, its inherent low ionic conductivity must be enhanced by the addition of highly conductive salt additives. Also its weak mechanical strength needs a complementary block, such as poly(styrene) (PS), to strengthen the electrolytic membrane during charging/discharging processes. PS is a strong material to complement the PEO and to create a reinforced copolymer electrolyte termed as the poly(styrene-b-ethylene oxide) (PS-PEO). In this work, molecular dynamics simulations are employed to study the effects of doping the PS constituents into the PEO based copolymer electrolyte. The results reveal that strengthening the mechanical strength increases the intra conjugation forces which penalize the ionic conductivity. Hence both ionic conductivity and mechanical strength of the copolymer have to be compromised. This paper designs the optimized molecular structure through the atomistic analysis instead of try-and-error experiments.
机译：聚环氧乙烷（PEO）是锂离子电池中常用的电解聚合物，因为它的高粘度使得可以制造薄层。但是，必须通过添加高导电性盐添加剂来增强其固有的低离子电导率。同样，其弱的机械强度也需要互补的嵌段，例如聚（苯乙烯）（PS），以在充电/放电过程中增强电解膜。 PS是一种很强的材料，可以补充PEO并形成称为聚（苯乙烯-b-环氧乙烷）（PS-PEO）的增强共聚物电解质。在这项工作中，采用分子动力学模拟来研究将PS成分掺杂到PEO基共聚物电解质中的作用。结果表明，增强机械强度会增加内部共轭力，这会不利于离子电导率。因此，必须同时损害共聚物的离子传导性和机械强度。本文通过原子分析而不是反复试验来设计优化的分子结构。

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