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首页> 外文期刊>ACS Macro Letters >Decreasing Polymer flexibility Improves Wetting and Dispersion of Polymer-Grafted Particles in a Chemically Identical Polymer Matrix
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Decreasing Polymer flexibility Improves Wetting and Dispersion of Polymer-Grafted Particles in a Chemically Identical Polymer Matrix

机译:降低聚合物的柔韧性可改善在化学相同的聚合物基质中聚合物接枝颗粒的润湿性和分散性

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摘要

We present a molecular dynamics simulation study of nanocomposites containing homopolymer-grafted particles in a homopolymer matrix, where the graft and matrix chemistries are identical, to elucidate the effect of polymer ?exibility on the wetting of the grafted layer by the matrix and the nanocomposite morphology. Decreasing ?exibility of the graft and matrix causes increased wetting of the grafted layer by the matrix. This increased wetting of the grafted layer with decreasing ?exibility is more signi?cantly driven by decreasing the graft ?exibility than by decreasing the matrix ?exibility. This is due to a large increase in mixing entropy of the graft and matrix upon wetting rather than the reduction in conformational entropy loss of matrix upon wetting. Due to this improved wetting with decreasing ?exibility of the graft and matrix, we observe increased particle dispersion in the polymer matrix.
机译:我们提出了在均聚物基质中包含均聚物接枝颗粒的纳米复合材料的分子动力学模拟研究,其中接枝物和基质的化学性质相同,以阐明聚合物柔韧性对基质和纳米复合物形态对接枝层润湿的影响。移植物和基质的柔韧性降低导致基质对移植层的润湿增加。与降低基质柔韧性相比,降低嫁接柔韧性更明显地驱动了降低柔韧性的接枝层润湿性。这是由于润湿时移植物和基质的混合熵大大增加,而不是润湿时基质的构象熵损失减少所致。由于这种改善的润湿性,同时降低了接枝和基质的弹性,我们观察到了聚合物基质中颗粒的分散性增加。

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