CONFORMATIONAL CHARACTERISTICS OF POLY(VINYLPYRROLIDONE) - SOLVENT-DEPENDENCE OF THE CHAIN DIMENSIONS

Conformational energies as function of rotational angles over two cons ecutive skeletal bonds for both meso and racemic diads of poly(N-vinyl -2-pyrrolidone) have been computed. The results of these calculations were used to formulate a statistical model that was then employed to c alculate the unperturbed dimensions of this polymer. The conformationa l energies are sensitive to the Coulombic interactions, which are gove rned by the dielectric constant of the solvent, and to the size of the solvent molecules. Consequently, the calculated values of the polymer ic chain dimensions are strongly dependent on the nature of the solven t, as it was experimentally found before.