THEORETICAL INVESTIGATION OF THERMODYNAMIC PARAMETERS OF TRANSITION METAL SALTS COMPLEXATION WITH ACRYLONITRILE-STYRENE COPOLYMER

Abstract

Thermodynamic parameters of formation reactions of polymer complexes of transition metals (ZnCl2, CuCl2, NiCl2, СоС12) were obtained using the PBE96/SVP computational level. Chemical processes taking place during both direct copolymerizations in the presence of transition metal salts and at introduction of transition metal salts at final step of polymerization were considered. The success of formation reaction of polymer complexes was theoretically based with the radical polymerization into solutions of transition metal salts in the presence of zink chloride only.