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首页> 外文期刊>The Journal of Chemical Physics >Extremely asymmetric phase diagram of homopolymer-monotethered nanoparticles: Competition between chain conformational entropy and particle steric interaction
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Extremely asymmetric phase diagram of homopolymer-monotethered nanoparticles: Competition between chain conformational entropy and particle steric interaction

机译：均聚物 - 单旋准纳米粒子极其不对称相图：链构象熵与粒子间距相互作用之间的竞争

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摘要

The phase behaviors of homopolymer-monotethered nanoparticles (HMNs) in melt are investigated via a theoretical method combining self-consistent field theory for polymers and density functional theory for hard spheres. An extremely asymmetric phase diagram is observed: (i) microphases are only possible for the volume fraction of the tethered polymer f(A) > 0.35; (ii) in addition to lamellar phase, the system can only self-assemble into various morphologies with a polymer-rich matrix, including gyroid phase, cylindrical phase, and spherical phase. In the frame of this theory, the critical point for HMNs' microphase separation is significantly lower than that of linear diblock copolymers. Furthermore, the characteristic length of microphase-separated structures of HMNs is much smaller than that of linear diblock copolymers with the same molecular weight. Our calculation results on morphologies and characteristic length agree well with recent simulations and experimental observations. Published by AIP Publishing.
机译：通过组合的理论方法研究熔体中熔融中的均聚物 - 单型纳米颗粒（HMNS）的相行为与硬球的密度和密度泛函理论相结合。观察到极其不对称的相图：（i）仅适用于系环聚合物F（A）> 0.35的体积分数的噬蜂窝; （ii）除了层相外，该系统还可以自组装成具有聚合物的基质的各种形态，包括陀螺相，圆柱形相和球相。在该理论的框架中，HMNS的缩放分离的临界点显着低于线性二嵌段共聚物的临界点。此外，HMNS的微相分离结构的特征长度远小于具有相同分子量的线性二嵌段共聚物的结构。我们的计算导致形态学和特征长度与最近的模拟和实验观察结果很好。通过AIP发布发布。

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  • 来源
    《The Journal of Chemical Physics》 |2017年第1期|共11页
  • 作者

    Zhang Tiancai; Fu Chao; Yang Yingzi; Qiu Feng;

  • 作者单位

    Fudan Univ Dept Macromol Sci Key Lab Computat Phys Sci State Key Lab Mol Engn Polymers Shanghai 200433 Peoples R China;

    Fudan Univ Dept Macromol Sci Key Lab Computat Phys Sci State Key Lab Mol Engn Polymers Shanghai 200433 Peoples R China;

    Fudan Univ Dept Macromol Sci Key Lab Computat Phys Sci State Key Lab Mol Engn Polymers Shanghai 200433 Peoples R China;

    Fudan Univ Dept Macromol Sci Key Lab Computat Phys Sci State Key Lab Mol Engn Polymers Shanghai 200433 Peoples R China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 物理化学（理论化学）、化学物理学;
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