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...

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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
Descripción
Sumario: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.

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