Dynamics of Polymer Chains Confined in Slit-Like Pores

Andrey Milchev; Kurt Binder

doi:doi:10.1051/jp2:1996165

Numéro		J. Phys. II France Volume 6, Numéro 1, January 1996


Page(s)		21 - 31
DOI		https://doi.org/10.1051/jp2:1996165

DOI: 10.1051/jp2:1996165
J. Phys. II France 6 (1996) 21-31

Dynamics of Polymer Chains Confined in Slit-Like Pores

Andrey Milchev and Kurt Binder

Institut für Physik, Johannes Gutenberg-Universität Mainz, Staudinger Weg 7, D-55099 Mainz, Germany

(Received 26 June 1995, accepted 11 October 1995)

Abstract
Monte Carlo simulations of an off-lattice bead sping model of polymer chains are presented, confining the chains between two repulsive parallel 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 behave like two-dimensional self-avoiding walks, their mean square gyration radius scales as $\langle R_{\rm g}^2\rangle\propto N^{2\nu}$ with $\nu =3/4$ . The density profile across the slit is independent of N and maximal in the center of the slit. The dynamical properties of the chains are found to be in full agreement with the Rouse model with excluded volume in d=2 dimensions, the relaxation times vary like $\tau\propto N^z$ with $z=2\nu+1=5/2$ , the diffusion constant still being given by $D_N\propto 1/N$ . The dynamical behavior of various mean square displacements is analyzed in detail.