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The effect of grafting density on the crystallization behavior of one-dimensional confined polymers

机译:接枝密度对一维密闭聚合物结晶行为的影响

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摘要

Grafting density and confinement scale of the nano-area are significant elements affecting the crystallization behavior of polymers. In this work, the crystallization processes of confined and unconfined polymer systems with different grafting density were systematically studied by MC simulation. The results show that when the grafting density of confined systems is low, the crystallization rate is faster and the final crystallinity is higher. However, the crystallization ability is reduced for higher grafting density. We found that for this confined system, the segmental density of interfacial region is larger, and the movement of chain segment is lower. Due to the higher grafting density, the crowding effect of polymer chains is strong, which leads to the intermolecular nucleation. The critical nucleation free energy barrier is higher. Moreover, only homogeneous nucleation occurs in confined polymer systems. With the increasing grafting density, the crystals change from lying on the substrate surface to being perpendicular to the substrate surface in unconfined polymer systems. The crystals are mainly lying on the substrate surface in confined polymer systems. These simulation results are helpful to understand the microscopic mechanism of crystallization behaviors of polymer nanocomposites and provide a theoretical basis for the design of nanocomposites with excellent physical properties.
机译:接枝密度和纳米区域的限制尺度是影响聚合物结晶行为的重要因素。本文采用MC模拟方法,系统研究了不同接枝密度的受限和非受限聚合物体系的结晶过程。结果表明,当受限体系的接枝密度较低时,结晶速度较快,最终结晶度较高。然而,较高的接枝密度会降低结晶能力。我们发现,对于这种受限体系,界面区域的节段密度较大,链段的运动较小。由于接枝密度较高,聚合物链的拥挤效应较强,导致分子间成核。临界成核自由能垒较高。此外,在受限的聚合物体系中,只有均质成核发生。在无侧限聚合物体系中,随着接枝密度的增加,晶体从位于基体表面转变为垂直于基体表面。在受限聚合物体系中,晶体主要位于基底表面。这些模拟结果有助于理解聚合物纳米复合材料结晶行为的微观机理,为设计具有优异物理性能的纳米复合材料提供理论依据。

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  • 来源
    《Journal of Applied Polymer Science》 |2021年第12期|共11页
  • 作者单位

    Jiangsu Univ Res Sch Polymer Mat Sch Mat Sci &

    Engn 301 Xuefu Rd Zhenjiang 212013 Jiangsu Peoples R China;

    Jiangsu Univ Res Sch Polymer Mat Sch Mat Sci &

    Engn 301 Xuefu Rd Zhenjiang 212013 Jiangsu Peoples R China;

    Jiangsu Univ Res Sch Polymer Mat Sch Mat Sci &

    Engn 301 Xuefu Rd Zhenjiang 212013 Jiangsu Peoples R China;

    Jiangsu Univ Inst Green Chem &

    Chem Technol Sch Chem &

    Chem Engn 301 Xuefu Rd Zhenjiang 212013 Jiangsu Peoples R China;

    Jiangsu Univ Res Sch Polymer Mat Sch Mat Sci &

    Engn 301 Xuefu Rd Zhenjiang 212013 Jiangsu Peoples R China;

    Jiangsu Univ Res Sch Polymer Mat Sch Mat Sci &

    Engn 301 Xuefu Rd Zhenjiang 212013 Jiangsu Peoples R China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 高分子化合物工业(高聚物工业);
  • 关键词

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