| Literature DB >> 26723593 |
Arash Nikoubashman1, Nathan A Mahynski1, Barbara Capone2, Athanassios Z Panagiotopoulos1, Christos N Likos2.
Abstract
We study the effective interactions and phase behavior of star polymer-colloid mixtures through theory and Monte Carlo simulations. We extend previous theoretical approaches for calculating the effective star-colloid pair potential to take into account attractive contributions, which become significant at worsening solvent conditions. In order to assess the validity of our simulation and theory, we compute the effective interactions via virtual move parallel tempering Monte Carlo simulations using a microscopic bead-spring model for the star polymer and achieve excellent agreement. Finally, we perform grand canonical Monte Carlo simulations of the coarse-grained systems to study the effect of solvent quality on the phase behavior.Entities:
Year: 2015 PMID: 26723593 DOI: 10.1063/1.4931410
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488