화학공학소재연구정보센터
Journal of Physical Chemistry B, Vol.115, No.22, 7218-7226, 2011
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.