4.4 Article

Monte carlo study of the percolation in two-dimensional polymer systems

Journal

JOURNAL OF MOLECULAR MODELING
Volume 19, Issue 10, Pages 4251-4258

Publisher

SPRINGER
DOI: 10.1007/s00894-013-1892-y

Keywords

Lattice models; Monte Carlo method; Percolation; Polymers

Funding

  1. Polish Ministry of Science and Higher Education [N N204 118539]

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The structure of a two-dimensional film formed by adsorbed polymer chains was studied by means of Monte Carlo simulations. The polymer chains were represented by linear sequences of lattice beads and positions of these beads were restricted to vertices of a two-dimensional square lattice. Two different Monte Carlo methods were employed to determine the properties of the model system. The first was the random sequential adsorption (RSA) and the second one was based on Monte Carlo simulations with a Verdier-Stockmayer sampling algorithm. The methodology concerning the determination of the percolation thresholds for an infinite chain system was discussed. The influence of the chain length on both thresholds was presented and discussed. It was shown that the RSA method gave considerably lower thresholds for longer chains. This behavior can be explained by a different pool of chain conformations used in the calculations in both methods under consideration.

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