Volume 68, Number 3, November 2004
|Page(s)||384 - 390|
|Section||Atomic and molecular physics|
|Published online||16 October 2004|
Dynamics of a polymer in a quenched random medium: A Monte Carlo investigation
Max Planck Institute for Polymer Research Ackermannweg 10, 55128 Mainz, Germany
2 Institute for Physical Chemistry, Bulgarian Academy of Sciences 1113 Sofia, Bulgaria
Accepted: 1 September 2004
We use an off-lattice bead-spring model of a self-avoiding polymer chain immersed in a 3-dimensional quenched random medium to study chain dynamics by means of a Monte Carlo (MC) simulation. The chain center-of-mass mean-squared displacement as a function of time reveals two crossovers which depend both on chain length N and on the degree of Gaussian disorder Δ. The first one from normal to anomalous diffusion regime is found at short time and observed to vanish rapidly as with growing disorder. The second crossover back-to-normal diffusion, , scales as with f being some scaling function. The diffusion coefficient DN depends strongly on disorder and drops dramatically at a critical dispersion of the disorder potential so that for the chain center of mass is practically frozen. These findings agree well with our recent theoretical predictions.
PACS: 36.20.-r – Macromolecules and polymer molecules / 71.55.Jv – Disordered structures; amorphous and glassy solids / 07.05.Tp – Computer modeling and simulation
© EDP Sciences, 2004
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