Zp. Zhou et Dy. Yan, CONFIGURATIONAL-CONFORMATIONAL STATISTICS OF STEREOIRREGULAR POLYSTYRENE, Macromolecular theory and simulations, 5(5), 1996, pp. 939-945
The dependence of the configurational-conformational characteristics,
such as the mean-square end-to-end distance, the mean-square radius of
gyration, and the temperature coefficient of the stereoirregular poly
styrene chains on the fraction of meso dyads, P-m, was investigated, u
sing the periodic condition method. The calculation shows that polysty
rene has the most compact chain when P-m = 0.7, and the temperature co
efficient of the characteristic ratio of the mean-square end-to-end di
stance reaches the minimum, -0.89 x 10(-3) K-1, at P-m = 0.5. The theo
retical result of the mean-square radius of gyration for atactic polys
tyrene, [S2](1/2) = 0.2245 M(0.5106), shows good agreement with the ex
perimental measurement in both bulk amorphous state and theta-solvent.