Research of fluoriation and sulphidation pyrolyzed polyacrylonitrile

This article presents the results of calculations of the sorption properties of pyrolyzed polyacrylonitrile against fluorine and sulfur, made in the framework of the molecular cluster using semiempirical MNDO scheme. Performed studies showed the possibility of adsorption of fluorine and sulfur on the surface of the pyrolyzed polyacrylonitrile. Found that the two-layer structure PPAN is more efficient adsorbent for the sulfur atom in comparison with the monolayer.