Mixing-Demixing Transition in Polymer-Grafted Spherical Nanoparticles

Peter Yatshyshin, Nikolaos Fytas, Panagiotis E. Theodorakis

Research output: Contribution to journalArticle

Abstract

Polymer-grafted nanoparticles can provide property profiles than cannot be obtained individually by polymers or nanoparticles. Here, we have studied the mixing–demixing transition of symmetric copolymer melts of polymer-grafted spherical nanoparticles by means of coarse-grained molecular dynamics
simulation and a theoretical mean-field model. We find that a larger size of nanoparticles leads to higher stability for given number of grafted chains and chain length reaching a point where demixing is not possible. Most importantly, our results suggest that there is a nontrivial dependence on the grafting
density in the case of intermediate particle size, where the steric interactions of the core particles are shielded by a growing effective attractive core of the tethered polymer chains. Our study elucidates the phase behaviour of polymer-grafted NPs anticipating that it will open new doors in the understanding
of these systems with implications in materials science and medicine.
Original languageEnglish
Pages (from-to)(In-Press)
Number of pages6
JournalSoft Matter
Volume(In-Press)
Early online date26 Nov 2019
DOIs
Publication statusE-pub ahead of print - 26 Nov 2019

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Polymers
Nanoparticles
nanoparticles
polymers
Materials science
Phase behavior
materials science
Chain length
medicine
Medicine
copolymers
Copolymers
Particle size
profiles
interactions

Cite this

Mixing-Demixing Transition in Polymer-Grafted Spherical Nanoparticles. / Yatshyshin, Peter; Fytas, Nikolaos; Theodorakis, Panagiotis E.

In: Soft Matter, Vol. (In-Press), 26.11.2019, p. (In-Press).

Research output: Contribution to journalArticle

Yatshyshin, Peter ; Fytas, Nikolaos ; Theodorakis, Panagiotis E. / Mixing-Demixing Transition in Polymer-Grafted Spherical Nanoparticles. In: Soft Matter. 2019 ; Vol. (In-Press). pp. (In-Press).
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