The Journal of Chemical Physics · 2005 · 56 citations · 43 references
Natural SciencesChemistryMaterials ScienceNanomaterialsPhysical ChemistryPolymer ChemistryIntermolecular ForcesIntermolecular InteractionsMolecular InteractionsPolymer Physical ChemistryPolymer PhysicsPolymer StructureColloidal InteractionsConcentrated Polymer SolutionsLennard-jones PotentialNanoparticle InteractionsNanoparticle-polymer InterfacesNanoparticlesParticle InteractionsPotential Of Mean Force
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.
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