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Monte carlo study of the percolation in two-dimensional polymer systems
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 differ...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer Berlin Heidelberg
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3778213/ https://www.ncbi.nlm.nih.gov/pubmed/23765040 http://dx.doi.org/10.1007/s00894-013-1892-y |
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author | Pawłowska, Monika Sikorski, Andrzej |
author_facet | Pawłowska, Monika Sikorski, Andrzej |
author_sort | Pawłowska, Monika |
collection | PubMed |
description | 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. [Figure: see text] |
format | Online Article Text |
id | pubmed-3778213 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | Springer Berlin Heidelberg |
record_format | MEDLINE/PubMed |
spelling | pubmed-37782132013-09-25 Monte carlo study of the percolation in two-dimensional polymer systems Pawłowska, Monika Sikorski, Andrzej J Mol Model Original Paper 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. [Figure: see text] Springer Berlin Heidelberg 2013-06-14 2013 /pmc/articles/PMC3778213/ /pubmed/23765040 http://dx.doi.org/10.1007/s00894-013-1892-y Text en © The Author(s) 2013 https://creativecommons.org/licenses/by-nc/2.0/ Open Access This article is distributed under the terms of the Creative Commons Attribution License which permits any use, distribution, and reproduction in any medium, provided the original author(s) and the source are credited. |
spellingShingle | Original Paper Pawłowska, Monika Sikorski, Andrzej Monte carlo study of the percolation in two-dimensional polymer systems |
title | Monte carlo study of the percolation in two-dimensional polymer systems |
title_full | Monte carlo study of the percolation in two-dimensional polymer systems |
title_fullStr | Monte carlo study of the percolation in two-dimensional polymer systems |
title_full_unstemmed | Monte carlo study of the percolation in two-dimensional polymer systems |
title_short | Monte carlo study of the percolation in two-dimensional polymer systems |
title_sort | monte carlo study of the percolation in two-dimensional polymer systems |
topic | Original Paper |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3778213/ https://www.ncbi.nlm.nih.gov/pubmed/23765040 http://dx.doi.org/10.1007/s00894-013-1892-y |
work_keys_str_mv | AT pawłowskamonika montecarlostudyofthepercolationintwodimensionalpolymersystems AT sikorskiandrzej montecarlostudyofthepercolationintwodimensionalpolymersystems |