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On the ordering of statistical multiblock copolymers

机译:关于统计多嵌段共聚物的顺序

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摘要

An algorithm was developed to generate an ensemble of statistical multiblock AB copolymer chains via a polymer-analogous reaction with acceleration. Ordering in the cylindrical ensemble of such chains is simulated via successive rotation of chains until an arrangement with the maximum energy of attraction between each two nearest chains is attained. The master relation of the ordering and the relations between AA, BB and AB contact fractions were found. Those relations permit to estimate the adequacy of modeling polymers of finite length. Influence of a chain structure, length, and interchain interactions on the ordering efficiency was studied.
机译:开发了一种算法,可通过加速的聚合物类似反应生成统计多嵌段AB共聚物链的整体。通过链条的连续旋转来模拟这种链条的圆柱形集合体中的排序,直到获得在每两个最接近的链条之间具有最大吸引力的装置为止。发现有序的主关系以及AA,BB和AB接触分数之间的关系。这些关系允许估计有限长度的建模聚合物的适当性。研究了链结构,长度和链间相互作用对订购效率的影响。

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