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首页> 外文期刊>Macromolecular theory and simulations >Universal Size and Shape Ratios for Arms in Star-Branched Polymers: Theory and Mesoscopic Simulations
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Universal Size and Shape Ratios for Arms in Star-Branched Polymers: Theory and Mesoscopic Simulations

机译:星分支聚合物臂的通用尺寸和形状比:理论和介观模拟

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摘要

Star polymer undergoes a transformation from a group of loosely coupled chains at low number of arms to a dense hairy colloid at their high number. This change affects solubility, aggregation, and rheological behavior and is of much practical interest. The range of size and shape properties of the star molecule and of its individual arms upon this transformation are studied. Theoretical calculations are based on a continuous chain model and are performed in the first order in epsilon = 4 -d. Computer simulations are done by the dissipative particle dynamics and in part by Monte Carlo method and the results demonstrate very good agreement with the selected set of properties known from the previous simulations. Theory and simulations provide qualitatively similar trends upon increase of the number of arms, but higher order of approximation is required in a theory to achieve a good quantitative agreement.
机译:星形聚合物在低数量的臂上以一组松散耦合的链进行转变,以厚度为密集的胶体。 这种变化会影响溶解度,聚集和流变行为,并且具有很大的实际兴趣。 研究了明星分子和其各个臂在该转化时的尺寸和形状特性的范围。 理论计算基于连续链模型,并且在epsilon = 4 -d的第一顺序中进行。 计算机模拟由耗散粒子动态和蒙特卡罗方法部分完成,结果表现出非常良好的一致性与先前模拟中已知的所选属性。 理论和仿真在武器数量增加时提供定性类似的趋势,但在理论中需要高阶的近似,以实现良好的量化协议。

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