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Monte Carlo Simulations of Self‐Assembling Copolymer Brushes
Author(s) -
Romiszowski Piotr,
Sikorski Andrzej
Publication year - 2008
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/masy.200850719
Subject(s) - monte carlo method , copolymer , brush , macromolecule , simple cubic lattice , polymer brush , solvent , polymer , materials science , lattice (music) , sequence (biology) , chain (unit) , statistical physics , surface (topology) , sampling (signal processing) , chemical physics , crystallography , chemistry , physics , mathematics , organic chemistry , optics , geometry , composite material , biochemistry , statistics , astronomy , acoustics , polymerization , detector
We studied a simplified model of a polymer brush formed by linear chains, which were restricted to vertices of a simple cubic lattice. The macromolecules consisted of a sequence of two different kinds of united atoms arranged in a specific sequence. The chains were grafted to an impenetrable surface, i.e . they were terminally attached to the surface with one end. The model system was studied at different solvent quality from good to poor solvent. The properties of this model system were determined by means of Monte Carlo simulation using a Metropolis‐like sampling algorithm based on local changes of chain's conformations. The size and the structure of the brush were determined.