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Entropic Sampling of Polymers: A Chain near a Wall, Polyelectrolytes, Star-Shaped Polymers

机译:聚合物的熵采样:壁附近的链,聚电解质,星形聚合物

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摘要

Results of entropic sampling of several polymer systems are presented: a neutral chain at a flat surface; a polyelectrolyte at a charged flat surface; a system of two neutral chains or of two polyions; and star polymers. Both lattice and continuous models for chains are used. The method enables the energy distribution to be obtained in a very wide range of values, which in turn allows the thermal and structural properties of the systems to be calculated in a wide temperature range.
机译:给出了几种聚合物系统的熵采样结果:平面上的中性链;带电平面上的聚电解质;由两个中性链或两个聚离子组成的系统;和星形聚合物。使用链的晶格模型和连续模型。该方法使得能够在非常宽的数值范围内获得能量分布,这进而允许在较宽的温度范围内计算系统的热和结构特性。

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