Conformational entropy of a polymer chain grafted to rough surfaces

A polymer molecule (represented by a statistical chain) end-grafted to a topologically rough surface was studied by static MC simulations. A modified self-avoiding walk on a cubic lattice was used to model the polymer in an athermal solution. Different statistical models of surface roughness were ap...

Descripción completa

Detalles Bibliográficos
Autores principales: Nowicki, Waldemar, Nowicka, Grażyna, Dokowicz, Marcin, Mańka, Agnieszka
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer-Verlag 2012
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3536995/
https://www.ncbi.nlm.nih.gov/pubmed/22918701
http://dx.doi.org/10.1007/s00894-012-1546-5
_version_ 1782254836329218048
author Nowicki, Waldemar
Nowicka, Grażyna
Dokowicz, Marcin
Mańka, Agnieszka
author_facet Nowicki, Waldemar
Nowicka, Grażyna
Dokowicz, Marcin
Mańka, Agnieszka
author_sort Nowicki, Waldemar
collection PubMed
description A polymer molecule (represented by a statistical chain) end-grafted to a topologically rough surface was studied by static MC simulations. A modified self-avoiding walk on a cubic lattice was used to model the polymer in an athermal solution. Different statistical models of surface roughness were applied. Conformational entropies of chains attached to uncorrelated Gaussian, Brownian, and fractional Brownian surfaces were calculated. Results were compared with the predictions of a simple analytical model of a macromolecule end-grafted to a fractal surface. [Figure: see text] ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1007/s00894-012-1546-5) contains supplementary material, which is available to authorized users.
format Online
Article
Text
id pubmed-3536995
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher Springer-Verlag
record_format MEDLINE/PubMed
spelling pubmed-35369952013-01-04 Conformational entropy of a polymer chain grafted to rough surfaces Nowicki, Waldemar Nowicka, Grażyna Dokowicz, Marcin Mańka, Agnieszka J Mol Model Original Paper A polymer molecule (represented by a statistical chain) end-grafted to a topologically rough surface was studied by static MC simulations. A modified self-avoiding walk on a cubic lattice was used to model the polymer in an athermal solution. Different statistical models of surface roughness were applied. Conformational entropies of chains attached to uncorrelated Gaussian, Brownian, and fractional Brownian surfaces were calculated. Results were compared with the predictions of a simple analytical model of a macromolecule end-grafted to a fractal surface. [Figure: see text] ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1007/s00894-012-1546-5) contains supplementary material, which is available to authorized users. Springer-Verlag 2012-08-24 2013 /pmc/articles/PMC3536995/ /pubmed/22918701 http://dx.doi.org/10.1007/s00894-012-1546-5 Text en © The Author(s) 2012 https://creativecommons.org/licenses/by/4.0/ 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
Nowicki, Waldemar
Nowicka, Grażyna
Dokowicz, Marcin
Mańka, Agnieszka
Conformational entropy of a polymer chain grafted to rough surfaces
title Conformational entropy of a polymer chain grafted to rough surfaces
title_full Conformational entropy of a polymer chain grafted to rough surfaces
title_fullStr Conformational entropy of a polymer chain grafted to rough surfaces
title_full_unstemmed Conformational entropy of a polymer chain grafted to rough surfaces
title_short Conformational entropy of a polymer chain grafted to rough surfaces
title_sort conformational entropy of a polymer chain grafted to rough surfaces
topic Original Paper
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3536995/
https://www.ncbi.nlm.nih.gov/pubmed/22918701
http://dx.doi.org/10.1007/s00894-012-1546-5
work_keys_str_mv AT nowickiwaldemar conformationalentropyofapolymerchaingraftedtoroughsurfaces
AT nowickagrazyna conformationalentropyofapolymerchaingraftedtoroughsurfaces
AT dokowiczmarcin conformationalentropyofapolymerchaingraftedtoroughsurfaces
AT mankaagnieszka conformationalentropyofapolymerchaingraftedtoroughsurfaces

Ejemplares similares