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Understanding the microstructure of particle dispersion in confined copolymer nanocomposites

机译:了解受限共聚物纳米复合材料中颗粒分散的微观结构

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The microstructures of diblock copolymer/particle composites confined in slitpores have been investigated using a density functional theory approach. It has been shown that, under the condition of confinement, particles display different distributions near the solid surfaces, in the microdomains of two blocks, and at the microphase interfaces. The final dispersion depends on the balance between the enthalpic contribution arising from the particle segment attraction as well as the entropy-driven depletion attraction induced by the polymer conformation and the confinement environment. For the systems in which particles weakly attract one block but repel another block, particle dispersion can be enhanced by the increasing confinement effect, and the enhancement becomes more obvious as the size asymmetries of particles and two blocks increase. If the attraction increases, however, particle dispersion declines as the confinement effect increases.
机译:使用密度泛函理论方法研究了限制在裂孔中的二嵌段共聚物/颗粒复合材料的微观结构。已经表明,在限制条件下,颗粒在固体表面附近,两个嵌段的微区中以及在微相界面处显示出不同的分布。最终的分散度取决于颗粒段吸引所产生的焓贡献与聚合物构象和封闭环境所引起的熵驱动的耗尽吸引之间的平衡。对于其中颗粒弱地吸引一个嵌段但排斥另一个嵌段的系统,可以通过增加限制作用来增强颗粒分散,并且随着颗粒和两个嵌段的尺寸不对称性的增加,这种增强变得更加明显。但是,如果吸引力增加,则随着限制效果的增加,颗粒的分散性下降。

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