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Monte Carlo Simulations of Polymers in Nanoslits
Author(s) -
Vacatello Michele
Publication year - 2003
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.200350034
Subject(s) - monte carlo method , polymer , slit , transverse plane , materials science , base (topology) , optics , molecular physics , statistical physics , physics , composite material , mathematical analysis , statistics , mathematics , structural engineering , engineering
Summary: Monte Carlo computer simulations have been performed for model polymers confined in slits of thickness comparable to the transverse diameter of the chains. The density of polymer within the slits is allowed to vary with the slit thickness in such a way that the content of the slits is always in equilibrium with a large reservoir of bulk polymer. The calculations reveal the presence of polymer‐mediated attractive or repulsive interactions between the slit plates, oscillating with the slit thickness in good agreement with experimental results.The base cell used in the simulations.