Abstract: | 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 polystyrene chains on the fraction of meso dyads, Pm was investigated, using the periodic condition method. The calculation shows that polystyrene has the most compact chain when Pm = 0.7, and the temperature coefficient of the characteristic ratio of the mean-square end-to-end distance reaches the minimum, ?0.89 × 10?3 K?1, at Pm = 0.5. The theoretical result of the mean-square radius of gyration for atactic polystyrene, 〈S2〉1/2 = 0.2245 M0.5106 shows good agreement with the experimental measurement in both bulk amorphous state and θ-solvent. |