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Molecular-dynamics simulations of oxidation effects on properties of polystyrene surfaces
Karlstad University, Faculty of Health, Science and Technology (starting 2013), Department of Engineering and Physics. (Material Physics)ORCID iD: 0000-0001-9337-2249
2010 (English)In: / [ed] Peter Gumbsch, Erik van der Giessen, 2010Conference paper, Published paper (Refereed)
Abstract [en]

We study the effect of oxidation on the properties of atactic polystyrene surfaces by molecular

dynamics simulations using GROMACS software package. The chemical modification of the

polymeric surface changes its hydrophobic/hydrophilic character. We analyze the change in

surface roughness upon oxidation and upon water presence. Additionally, we study the change

in water structure near the surface as function of the hydrophilic character of the surface.

Place, publisher, year, edition, pages
2010.
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kau:diva-66750OAI: oai:DiVA.org:kau-66750DiVA, id: diva2:1191637
Conference
Multiscale Materials Modeling (MMM 2010), 4-8 October 2010, Freiburg, Germany
Available from: 2018-03-19 Created: 2018-03-19 Last updated: 2018-03-19

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http://www.mmm2010.de/fileadmin/media/mmm2010/Symposia/MMM2010_Biological_and_Soft_Materials.pdf

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Muntean, Stela Andrea
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