The behavior of a coarse-grained polymer chain in the solution containing two types of interacting species is studied using a face-centered cubic lattice model. The majority component in our model represents the solvent, while the active low volume fraction component is regarded as reversibly adsorbing nanoparticles. Using a novel density-biased method, we calculate the complete phase diagram, which demonstrates the effect of addition of freely moving interactive centers on the equilibrium properties of a polymer chain immersed in either good or poor solvent. Three distinct collapsed and one extended phase are found, each phase comprising two regions with different polymeric degrees of freedom. © 2008 American Chemical Society.
CITATION STYLE
Antypov, D., & Elliott, J. A. (2008). Wang-Landau simulation of polymer-nanoparticle mixtures. Macromolecules, 41(19), 7243–7250. https://doi.org/10.1021/ma8012652
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