SIMULATION OF THE DYNAMICS OF A MACROMOLECULE IN A RANDOM CONSTRAINT CAGE
Bernard J. Geurts, Frederik W. Wiegel · Modern Physics Letters B · 1987
We determine the centre of mass diffusion coefficient D and the chain relaxation time T of a macromolecule diffusing through a random constraint cage. This cage models the average topological constraints on the motion of a particular polymer, imposed by the other polymers in the system. The constraint cage consists of regularly spaced constraint lines on a cubic lattice which are “active” with a probability p and absent with a probability 1−p. To a good approximation D≈A(p)N−α(p) and T≈B(p)Nβ(p) if N≫1. The exponents α and β show two regions of very rapid change at pc,1≈0.30 and at pc,2≈0.98.