Monomer-resolved simulations of cluster-forming dendrimers.


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.

DOI: 10.1021/jp109132m

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@article{Lenz2011MonomerresolvedSO, title={Monomer-resolved simulations of cluster-forming dendrimers.}, author={Dominic A Lenz and Bianca M Mladek and Christos N Likos and Gerhard Kahl and Ronald Blaak}, journal={The journal of physical chemistry. B}, year={2011}, volume={115 22}, pages={7218-26} }