Monomer-Resolved Simulations of Cluster-Forming Dendrimers
- Author(s)
- Dominic A. Lenz, Bianca M Mladek, Christos Likos, Gerhard Kahl, Ronald Blaak
- Abstract
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(s)
- Computational and Soft Matter Physics
- External organisation(s)
- Heinrich-Heine-Universität Düsseldorf, University of Cambridge, Technische Universität Wien
- Journal
- The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical
- Volume
- 115
- Pages
- 7218-7226
- No. of pages
- 9
- ISSN
- 1520-6106
- DOI
- https://doi.org/10.1021/jp109132m
- Publication date
- 2011
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103023 Polymer physics, 103036 Theoretical physics, 103015 Condensed matter, 103029 Statistical physics
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/9ea58793-f541-4f39-be1c-6db65bda3d29