Molecular dynamics simulations of the dielectric relaxation behavior of polymers and their solutions at high temperatures

Abstract

In this paper the dielectric relaxation behavior at high temperatures of bulk poly(vinyl acetate) and of its toluene solutions is simulated using molecular dynamics procedures and compared with experimental results obtained for these systems in a wide range of temperatures. The relaxation behavior is described by a stretched exponential function, the exponent of which lies in the range 0.5–0.6. Moreover, the temperature dependence of the mean relaxation time of the absorption is rather weak in comparison with that reported for the α relaxation of supercooled liquids near T_g.