Polymer materials are normally constituted by chains of different sizes and compositions due to the stochastic nature of most polymerization mechanisms. For this reason, dissipative particle dynamics (DPD) simulations are carried out in the present work to investigate the effect of chain length distribution (CLD), chemical composition distribution (CCD), and block length distribution (BLD) on the process of self‐assembly of diblock copolymers. Flory and Poisson distributions are used to study CLD and BLD effects and bidispersed distributions are used for the study of CCD effects. Visual inspection and the static structure factor S(q) are used to evaluate the obtained structures. The results show that high dispersion in the CCD and different levels of dispersion in the BLDs of different components of the system increase the sizes of the segregated domains and decisively affect the structure and the purity of the formed mesophases.

中文翻译：

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分散共聚物的介观模拟：链长，化学组成和嵌段长度分布对自组装的影响

由于大多数聚合机理的随机性，聚合物材料通常由不同尺寸和组成的链组成。因此，在本工作中进行了耗散粒子动力学（DPD）模拟，以研究链长分布（CLD），化学成分分布（CCD）和嵌段长度分布（BLD）对自发过程的影响。二嵌段共聚物的组装。Flory和Poisson分布用于研究CLD和BLD效应，双分散分布用于研究CCD效应。外观检查和静态结构因子S（q）用于评估获得的结构。结果表明，CCD中的高分散度和系统中不同组件的BLD中不同程度的分散度增加了分离域的大小，并决定性地影响了所形成中间相的结构和纯度。