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Molecular-dynamics simulations of oxidation effects on properties of polystyrene surfaces
Eindhoven University of Technology, The Netherlands. (Material Physics)ORCID iD: 0000-0001-9337-2249
Eindhoven University of Technology, The Netherlands.
2010 (English)In: Fifth International Conference. MMM 2010, Multiscale Materials Modeling: Conference Proceedings: Biological & Soft Materials / [ed] Peter Gumbsch, Erik van der Giessen, 2010, p. 623-626Conference 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. p. 623-626
National Category
Condensed Matter Physics
Research subject
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: 2019-07-04Bibliographically approved

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Muntean, Stela Andrea

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