Work

A theoretical study of dispersion-to-aggregation of nanoparticles in adsorbing polymers using molecular dynamics simulations

Year: 2016

Type: article

Abstract: The properties of polymer-nanoparticle (NP) mixtures significantly depend on the dispersion of the NPs. Using molecular dynamics simulations, we demonstrate that, in the presence of polymer-NP attraction, the dispersion of NPs in semidilute and concentrated polymers can be stabilized by increasing the polymer concentration. A lower polymer concentration facilitates the aggregation of NPs bridged by polymer chains, as well as a further increase of the polymer-NP attraction. Evaluating the binding of NPs through shared polymer segments in an adsorption blob, we derive a linear relationship between the polymer concentration and the polymer-NP attraction at the phase boundary between dispersed and aggregated NPs. Our theoretical findings are directly relevant for understanding and controlling many self-assembly processes that use either dispersion or aggregation of NPs to yield the desired materials.

Source: Nanoscale

DOI: 10.1039/c5nr08576d

Authors: Xue-Zheng Cao, Holger Merlitz, Chen-Xu Wu, Goran Ungar, Jens-Uwe Sommer

Institutions: Zhejiang Sci-Tech University, Xiamen University, Leibniz Institute of Polymer Research, University of Sheffield, Technische Universität Dresden

Language: English

Topic: Pickering emulsions and particle stabilization

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: bronze

Funders: Deutsche Forschungsgemeinschaft, National Natural Science Foundation of China, Zhejiang Sci-Tech University

Awards: G2794095467, G4626787350, G7740968432