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Title: Conformation and elasticity of a charged polymer chain bridging two nanoparticles

A complex composed of a charged flexible polymer chain irreversibly attached with its ends to surfaces of two nanoparticles was investigated using the Metropolis Monte Carlo method on a simple cubic lattice. The simulations were performed in the presence of explicit ions. The bridging chain and the nanoparticles bearing the same and the opposite sign charges were considered. Changes in the free energy of the complex upon its stretching or compression, together with the magnitude of the elastic force, were examined. The relative roles of energetic and entropic effects in determining the properties of the complex were identified. Also, the adsorption of charged monomers on the opposite-sign charged nanoparticles and its influence on the examined quantities was studied. Moreover, a simple semi-analytical approach to the thermodynamics of the polymer bridge was derived.
Authors:
;  [1]
  1. Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89b, 61-614 PoznaƄ (Poland)
Publication Date:
OSTI Identifier:
22251297
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 139; Journal Issue: 21; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ADSORPTION; CUBIC LATTICES; ELASTICITY; FREE ENERGY; MONOMERS; MONTE CARLO METHOD; NANOSTRUCTURES; PARTICLES; POLYMERS; SIMULATION; SURFACES; THERMODYNAMICS