Open AccessSimulation of pyrolysed polyacrylonitrile based composite with amorphising boron additives
Author(s) -
О. А. Какорина,
И. В. Запороцкова,
Igor Kakorin,
Л. В. Кожитов
Publication year - 2020
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1479/1/012131
Subject(s) - polyacrylonitrile , mndo , materials science , composite number , pyrolysis , adsorption , composite material , boron , polymer , monolayer , chemical engineering , cluster (spacecraft) , nanotechnology , molecule , organic chemistry , computer science , chemistry , engineering , programming language
The paper deals with the possibility of modifying pyrolyzed polyacrylonitrile with amorphizing additives. Adsorption features of the boron atom on the surface of the monolayer of polymer are studied, and the geometric and electron-energy characteristics of the composite obtained are established. The calculations were performed using the semi-empirical MNDO method within the framework of the molecular cluster model.