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Computer Synthesis of Network Polymers
Doklady Physical Chemistry  (IF0.638),  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.