Anomalous size-dependence of interfacial profiles between coexisting phases of polymer mixtures in thin film geometry: A Monte-Carlo simulation

Details Anomalous size-dependence of interfacial profiles between coexisting phases of polymer mixtures in thin film geometry: A Monte-Carlo simulation Anomalous size-dependence of interfacial profiles between coexisting phases of polymer mixtures in thin film geometry: A Monte-Carlo simulation

1997-08-20

arxiv.org/abs/cond-mat/9708153v1

Physics

Condensed Matter

Statistical Mechanics

42 pages, including 15 PS figures, to appear in JCP

Scientific paper

10.1063/1.475118

The interfacial profile between coexisting phases of a binary mixture (A,B) in a thin film of thickness D and lateral linear dimensions L depends sensitively on both linear dimensions and on the nature of boundary conditions and statistical ensembles applied. These phenomena generic for systems in confined geometry are demonstrated by Monte-Carlo simulations of the bond fluctuation model of symmetric polymer mixtures. Both the canonical and semi-grand-canonical ensemble are studied. In the canonical ensemble, the interfacial width w increases (from small values which are of the same order as the intrinsic profile) like sqrt{D}, before a crossover to a saturation value w_max (w_max^2 proportional to ln L) sets in. In the semi-grand-canonical ensemble, however, one finds the same widths (w proportional to sqrt{D}) as in the canonical ensemble for not too large L, while for large L the interfacial profile is smeared out over a finite fraction of the film thickness (w proportional to D for D -> infinity). We discuss the implications of these findings for the interpretation of both simulations and experiments.

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