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The European Physical Journal B
ISSN: 1434-6028 (printed version)
ISSN: 1434-6036 (electronic version)
Abstract Volume 3 Issue 4 (1998) pp 477-484
A polymer chain trapped between two parallel repulsive walls: A Monte-Carlo test of scaling behavior
A. Milchev (a), K. Binder (b)
Institut für Physik, Johannes Gutenberg-Universität Mainz 55099 Mainz, Staudinger Weg 7, Germany
Received: 21 November 1997 / Accepted: 11 December 1997
Abstract: An off-lattice bead-spring model of a polymer chain trapped between two parallel walls a distance D apart is studied by Monte-Carlo methods, using chain lengths N in the range $32 \leq N\leq 512$ and distances D from 4 to 32 (in units of the maximum spring extension). The scaling behavior of the coil linear dimensions parallel to the plates and of the force on the walls is studied and discussed with the help of current theoretical predictions. Also the density profiles of the monomers across the slit are obtained and it is shown that the predicted variation with the distance z from a wall, $\rho(z)\propto z^{1/\nu}$, is obtained only when one introduces an extrapolation length $\lambda$ in the description, $\rho(z) \propto [(z+\lambda)/D]^{1/\nu}$, with $\lambda\approx 0.35$. An analogous result is also obtained for Gaussian chains (where $1/\nu = 2$).
PACS. 61.25.Hq Macromolecular and polymer solutions; polymer melts; swelling - 07.05.Tp Computer modeling and simulation - 61.41.+e Polymers, elastomers, and plastics
(a) Permanent address: Institute of Physical Chemistry, Bulgarian Academy of Sciences, 1113 Sofia, Bulgaria.
(b) email: binder@chaplin.physik.uni-mainz.de
Article in PDF-Format (361 KB)
Online publication: July 22, 1998
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