| Literature DB >> 16238433 |
Abstract
We present a density-functional theory study of nanoparticle interactions in a concentrated polymer solution. The polymers are modeled as freely jointed tangent chains; all nonbonded interactions between polymer segments and nanoparticles are described by Lennard-Jones potentials. We test several recently proposed methods of treating attractive interactions within the density-functional theory framework by comparing theoretical results with recent simulation data. We find that the simple van der Waals approach provides the most accurate results for the polymer-mediated potential of mean force between two dilute nanoparticles. We employ this approach to study nanoparticle interactions as a function of nanoparticle-segment interaction strength and polymer solution density and temperature.Entities:
Year: 2005 PMID: 16238433 DOI: 10.1063/1.2049275
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488