Monomer-Resolved Simulations of Cluster-Forming Dendrimers

Autor(en)

Dominic A. Lenz, Bianca M Mladek, Christos Likos, Gerhard Kahl, Ronald Blaak

Abstrakt

We present results of monomer-resolved Monte Carlo simulations for a system of amphiphilic dendrimers of the second generation. Our investigations validate a coarse-grained level description based on the zero-density limit effective pair-interactions for low and intermediate densities, which predicted the formation of stable, finite aggregates in the fluid phase. Indeed, we find that these systems form a homogeneous fluid for low densities, which, on increasing the density, spontaneously transforms into a fluid of clusters of dendrimers. Although these clusters are roughly spherical in nature for intermediate densities, more complex structures are also detected for the highest densities considered.

Organisation(en)

Computergestützte Physik und Physik der Weichen Materie

Externe Organisation(en)

Heinrich-Heine-Universität Düsseldorf, University of Cambridge, Technische Universität Wien

Journal

The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical

Band

115

Seiten

7218-7226

Anzahl der Seiten

9

ISSN

1520-6106

DOI

https://doi.org/10.1021/jp109132m

Publikationsdatum

2011

Peer-reviewed

Ja

ÖFOS 2012

103023 Polymerphysik, 103036 Theoretische Physik, 103015 Kondensierte Materie, 103029 Statistische Physik

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/9ea58793-f541-4f39-be1c-6db65bda3d29