Unveiling the environment-dependent mechanical properties of porous polypropylene separators

Shutian Yan, Xinran Xiao, Xiaosong Huang, Xiaodong Li, Yue Qi

    Research output: Contribution to journalArticle

    • 10 Citations

    Abstract

    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.

    Original languageEnglish (US)
    Pages (from-to)6282-6292
    Number of pages11
    JournalPolymer (United Kingdom)
    Volume55
    Issue number24
    DOIs
    StatePublished - Nov 18 2014

    Profile

    Polypropylenes
    Carbonates
    Nanofibers
    Separators
    alpha-Crystallin B Chain
    Arthrodesis
    Elastic moduli
    Water
    Coccidiostats
    Crystalline materials
    Mechanical properties
    Lithium-ion batteries
    Directed Tissue Donation
    Ergothioneine
    Abdominal Muscles
    Molecular dynamics
    Durability
    Vacuum
    Microstructure
    Molecules

    Keywords

    • Mechanical property
    • Molecular dynamics
    • Porous polypropylene

    ASJC Scopus subject areas

    • Organic Chemistry
    • Polymers and Plastics

    Cite this

    Unveiling the environment-dependent mechanical properties of porous polypropylene separators. / Yan, Shutian; Xiao, Xinran; Huang, Xiaosong; Li, Xiaodong; Qi, Yue.

    In: Polymer (United Kingdom), Vol. 55, No. 24, 18.11.2014, p. 6282-6292.

    Research output: Contribution to journalArticle

    Yan, Shutian; Xiao, Xinran; Huang, Xiaosong; Li, Xiaodong; Qi, Yue / Unveiling the environment-dependent mechanical properties of porous polypropylene separators.

    In: Polymer (United Kingdom), Vol. 55, No. 24, 18.11.2014, p. 6282-6292.

    Research output: Contribution to journalArticle

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    abstract = "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.",
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    AU - Xiao,Xinran

    AU - Huang,Xiaosong

    AU - Li,Xiaodong

    AU - Qi,Yue

    PY - 2014/11/18

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    AB - 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.

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