화학공학소재연구정보센터
Journal of Chemical Physics, Vol.116, No.7, 3162-3165, 2002
Effects of excluded volume and bond length on the dynamics of dense bead-spring polymer melts
We consider the effects of the ratio of average bond length, l(0), to excluded volume bead diameter, d(0), on the dynamics of dense liquids of freely jointed bead-spring polymer chains. Monodisperse (N=50) systems for which 0.731, which in turn increases the volume density and optimizes packing. Friction coefficients depend on local density (i.e., density of nearest neighbors around any monomer) in a manner akin to the empirical relationship between diffusivity and total number density in simple Lennard-Jones fluids [Levesque and Verlet, Phys. Rev. A 2, 2514 (1970)]. This work demonstrates the degree of interplay between structure and dynamics in macromolecular liquids.