Abstract

Molecular dynamic modeling of polymer - polyethylene terephthalate and composite materials based on it with different single- walled carbon nanotubes as filler has been performed. The influence of supramolecular structure on some physicochemical and mechanical properties of polymer composite material has been investigated. It was found that the value of interphase intermolecular interaction of the system "polymer matrix - filler" is the main determining factor influencing the physicochemical and mechanical properties, therefore, it is necessary to consider it mainly when predicting the properties of such materials.

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