DYNAMICS OF POLYMER-CHAINS CONFINED IN SLIT-LIKE PORES

Citation
A. Milchev et K. Binder, DYNAMICS OF POLYMER-CHAINS CONFINED IN SLIT-LIKE PORES, Journal de physique. II, 6(1), 1996, pp. 21-31
Citations number
34
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Mechanics
Journal title
ISSN journal
11554312
Volume
6
Issue
1
Year of publication
1996
Pages
21 - 31
Database
ISI
SICI code
1155-4312(1996)6:1<21:DOPCIS>2.0.ZU;2-J
Abstract
Monte Carlo simulations of an off-lattice bead spring model of polymer chains are presented, confining the chains between two repulsive para llel planes a distance D apart. Varying the chain length N from N = 16 to N = 128, we show that under good solvent conditions the chains beh ave like two-dimensional self-avoiding walks, their mean square gyrati on radius scales as (R(g)(2)) proportional to N-2 upsilon with upsilon = 3/4. The density profile across the slit is independent of N and ma ximal in the center of the slit. The dynamical properties of the chain s are found to be in full agreement with the Rouse model with excluded volume in d = 2 dimensions, the relaxation times vary like tau propor tional to N-2 with z = 2 upsilon + 1 = 5/2, the diffusion constant sti ll being given by D-N proportional to 1/N. The dynamical behavior of v arious mean square displacements is analyzed in detail.