Monomer-resolved simulations of cluster-forming dendrimers

Abstract

We present results of monomer-resolved Monte Carlo simulations for a system of amphiphilic dendrimers of 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, also more complex structures are detected for the highest densities considered.

23 pages, 11 figures

References in corpus (3)

• Why do ultrasoft repulsive particles cluster and crystallize? Analytical results from density functional theory
• Computer Assembly of Cluster-Forming Amphiphilic Dendrimers
• Phase coexistence of cluster crystals: beyond the Gibbs phase rule

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• Hyperbranched polymer stars with Gaussian chain statistics revisited
• On the applicability of density dependent effective interactions in cluster-forming systems
• [N]pT ensemble and finite-size scaling study of the GEM-4 critical isostructural transition
• Nucleation and structural growth of cluster crystals