Polymer diffusion in a lattice polymer model with an intrinsic reptation mechanism.

Autor: Wolterink, J. Klein, Barkema, G. T.
Předmět:
Zdroj: Molecular Physics; 11/10/2005, Vol. 103 Issue 21-23, p3083-3089, 7p
Abstrakt: Rubinstein's repton model, extended by van Heukelum and Barkema for the simulation of polymer melts, is studied. This model has two dynamical mechanisms, explicit reptation and sideways motion, each with a prescribed rate. We study how the polymer diffusion coefficient depends on the ratio  γ  of these rates, while the sum of these rates is kept constant. We find that the diffusion coefficient of the polymers as a function of  γ  is not simply a linear combination of the contributions of the individual mechanisms; there is a large amount of cooperativity between the two kinds of mechanisms. A better understanding of this cooperativity might benefit research in a wide range of topics. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index