Article

Monte Carlo Simulations of Self-Assembling Copolymer Brushes

  1. Piotr Romiszowski*,
  2. Andrzej Sikorski

Article first published online: 11 JUL 2008

DOI: 10.1002/masy.200850719

Issue

Macromolecular Symposia

Macromolecular Symposia

Special Issue: Nanostructured Polymers and Polymer Nanocomposites

Volume 267, Issue 1, pages 105–108, June 2008

Additional Information

How to Cite

Romiszowski, P. and Sikorski, A. (2008), Monte Carlo Simulations of Self-Assembling Copolymer Brushes. Macromol. Symp., 267: 105–108. doi: 10.1002/masy.200850719

Author Information

  1. Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland

*Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland.

Publication History

  1. Issue published online: 11 JUL 2008
  2. Article first published online: 11 JUL 2008

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Keywords:

  • coil-to-globule transition;
  • diblock copolymers;
  • lattice models;
  • Monte Carlo method;
  • polymer brushes

Abstract

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.

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