聚合物混合物表面富集层的链线性尺寸

Jian-Sheng Wang, K. Binder
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引用次数: 12

摘要

采用蒙特卡罗模拟方法,利用键波动模型计算了存在壁的二元聚合物共混物的端到端均方距离和均方旋转半径。在体积上,与大多数聚合物相比,少数低浓度聚合物的尺寸被压缩。在壁面附近,由于壁面的吸引,少数聚合物浓度富集,两种聚合物的尺寸大致相等,并且与非热聚合物熔体中的尺寸基本相同。因此,几何约束对聚合物结构的影响比聚合物-聚合物和聚合物-壁的相互作用更重要。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Chain linear dimensions in the surface-enriched layer of polymer mixtures
We calculate the mean-square end-to-end distances and mean-square gyration radii using the bond fluctuation model for a binary polymer blend in the presence of a wall by Monte Carlo simulation. In the bulk, the size of the minority, low-concentration polymer species is compressed compared to the majority one. In the vicinity of the wall, where the minority polymer concentration is enriched due to attraction from the wall, the dimensions of the two types of polymers are approximately equal and are essentially the same as in an athermal polymer melt. Thus, the geometric constraint is more important to the structure of the polymers than the polymer-polymer and polymer-wall interactions.
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