PDF(Pubmed)
Abstract：
The structure of very thin polymer films formed by strongly adsorbed macromolecules was studied by computer simulation. A coarse-grained model of strictly two-dimensional polymer systems was built, and its properties determined by an efficient Monte Carlo simulation algorithm. Properties of the model system were determined by means of Monte Carlo simulations with a sampling algorithm that combines Verdier-Stockmayer, pivot and reputation moves. The effects of temperature, chain length and polymer concentration on the macromolecular structure were investigated. It was shown that at low temperatures, the chain size increases with the concentration, that is, inversely with high temperatures. This behavior should be explained by the influence of inter-chain interactions.
摘要：
通过计算机模拟研究了由强吸附大分子形成的非常薄的聚合物膜的结构。建立了严格二维聚合物系统的粗粒度模型，及其特性由高效的蒙特卡罗模拟算法确定。模型系统的属性是通过蒙特卡罗模拟与结合Verdier-Stockmayer的采样算法确定的，枢轴和声誉移动。温度的影响，研究了链长度和聚合物浓度对大分子结构的影响。结果表明，在低温下，链条尺寸随着浓度的增加而增加，也就是说,与高温相反。这种行为应该通过链间相互作用的影响来解释。
