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Computer Synthesis of Network Polymers
Doklady Physical Chemistry ( IF 1.1 ) Pub Date : 2020-10-01 , DOI: 10.1134/s0012501620100012
A. A. Askadskii , T. A. Matseevich

Abstract A model and the principle of constructing a corresponding computer program are proposed for the electronic synthesis of polymer networks with a specified range of glass transition temperatures have been proposed for the first time. A repeating fragment of the network is synthesized from the smallest basic fragments, which are connected to each other using a control matrix of interactions. As an example, there are presented 27 chemical structures of the cross-linked points, 26 basic fragments for constructing polymer chains connecting the cross-linked points, and five repeating fragments of polymer networks with glass transition temperatures falling within the range 450–480 K.

中文翻译:

网络聚合物的计算机合成

摘要 首次提出了具有特定玻璃化转变温度范围的聚合物网络的电子合成模型和构建相应计算机程序的原理。网络的重复片段由最小的基本片段合成,这些片段使用交互控制矩阵相互连接。例如,提供了 27 个交联点的化学结构,26 个用于构建连接交联点的聚合物链的基本片段,以及玻璃化转变温度在 450-480 K 范围内的聚合物网络的五个重复片段.
更新日期:2020-10-01
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