Polanowski Piotr, Hałagan Krzysztof, Sikorski Andrzej
Department of Molecular Physics, Lodz University of Technology, 90-924 Lodz, Poland.
Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland.
Polymers (Basel). 2022 Jun 21;14(13):2522. doi: 10.3390/polym14132522.
A generic model was developed for studies of the polymerization process of regular branched macromolecules. Monte Carlo simulations were performed employing the Dynamic Lattice Liquid algorithm to study this process. A core-first methodology was used in a living polymerization of stars with up to 32 arms, and dendrimers consisted of 4-functional segments. The kinetics of the synthesis process for stars with different numbers of branches and dendrimers was compared. The size and structure of star-branched polymers and dendrimers during the synthesis were studied. The influence of the functionality of well-defined cores on the structure and on the dispersity of the system was also examined. The differences in the kinetics in the formation of both architectures, as well as changes to their structures, were described and discussed.
开发了一种通用模型，用于研究规则支化大分子的聚合过程。采用动态晶格液体算法进行蒙特卡罗模拟来研究该过程。在具有多达32个臂的星形活性聚合中使用了先形成核心的方法，树枝状大分子由4官能团片段组成。比较了不同支化数的星形聚合物和树枝状大分子合成过程的动力学。研究了合成过程中星形支化聚合物和树枝状大分子的尺寸和结构。还考察了明确核心的官能度对体系结构和分散性的影响。描述并讨论了两种结构形成过程中的动力学差异及其结构变化。
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