The Triumph of the Spin Chemistry of Fullerene C₆₀ in the Light of Its Free Radical Copolymerization with Vinyl Monomers

Abstract

The spin theory of fullerenes is taken as a basis concept to virtually exhibit a peculiar role of C60 fullerene in the free radical polymerization of vinyl monomers. Virtual reaction solutions are filled with the initial ingredients (monomers, free radicals, and C60 fullerene) as well as with the final products of a set of elementary reactions, which occurred in the course of the polymerization. The above objects, converted to the rank of digital twins, are considered simultaneously under the same conditions and at the same level of the theory. In terms of the polymerization passports of the reaction solutions, a complete virtual picture of the processes considered is presented.

Keywords

• virtual polymerization
• spin theory of fullerenes
• free radical polymerization
• digital twins
• energy graphs
• thermodynamic and kinetic descriptors