Atomistic Modelling of Confined Polypropylene Chains between Ferric Oxide Substrates at Melt Temperature

Atomistic Modelling of Confined Polypropylene Chains between Ferric Oxide Substrates at Melt Temperature

The interactions and conformational characteristics of confined molten polypropylene (PP) chains between ferric oxide (Fe2O3) substrates were investigated by molecular dynamics (MD) simulations. A comparative analysis of the adsorbed amount shows strong adsorption of the chains on the high-energy su...

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Bibliographic Details
Main Authors: Ali Gooneie, Joamin Gonzalez-Gutierrez, Clemens Holzer
Format: Article
Language:English
Published: MDPI AG 2016-10-01
Series:Polymers
Subjects:
molecular dynamics
ferric oxide
polypropylene
polymer-metal interactions
Online Access:http://www.mdpi.com/2073-4360/8/10/361

Internet

http://www.mdpi.com/2073-4360/8/10/361

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