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Properties of star-branched and linear chains in confined space: a computer simulation study

机译:密闭空间中星形支链和线性链的性质:计算机模拟研究

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We studied the properties of simple models of linear and star-branched polymer chains confined in a slit. The polymer chains were built of united atoms and were restricted to a simple cubic lattice. Two macromolecular architectures of the chain linear and star-branched with three branches (of equal length) were studied. The excluded volume was the only potential introduced into the model and thus, the system was athermal. The chains were put between two parallel and impenetrable surfaces. Monte Carlo simulations with a sampling algorithm based on chain's local changes of conformation were carried out. The differences and similarities in the global size and the structure and of linear and star-branched chains were shown and discussed.
机译:我们研究了限制在狭缝中的线性和星形支链聚合物链的简单模型的性质。聚合物链由联合原子构成,并被限制在简单的立方晶格中。研究了链状线性和星形支链的两种大分子结构,具有三个分支(长度相等)。排除的体积是模型中引入的唯一电位,因此,系统是无热的。链条被放置在两个平行且不可穿透的表面之间。采用基于链构象局部变化的采样算法进行蒙特卡罗模拟。展示并讨论了整体大小和结构以及线性和星形分支链的异同。

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