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Dissipative Particle Dynamics Simulations of Polymer Brushes: Comparison with Molecular Dynamics Simulations

✍ Scribed by Sandeep Pal; Christian Seidel

Publisher: John Wiley and Sons
Year: 2006
Tongue: English
Weight: 150 KB
Volume: 15
Category: Article
ISSN: 1022-1344
DOI: 10.1002/mats.200600048

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✦ Synopsis

Abstract

Summary: The structure of polymer brushes is investigated by dissipative particle dynamics (DPD) simulations that include explicit solvent particles. With an appropriate choice of the DPD interaction parameters $a_{ij}$, we obtain good agreement with previous molecular dynamics (MD) results where the good solvent behavior has been modeled by an effective Lennard–Jones potential. The present results confirm that DPD simulation techniques can be applied for large length scale simulations of polymer brushes. A relation between the different length scales $r_{\rm c}$ and $\sigma$ is established.

Polymer brush at a solid–liquid interface.

imagePolymer brush at a solid–liquid interface.

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