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Updated: Dec 1, 2025

Application of a Coupling Agent to Improve the Dielectric Properties of Polymer-Based Nanocomposites

Application of a Coupling Agent to Improve the Dielectric Properties of Polymer-Based Nanocomposites

Published on: September 19, 2020

Polymer Conformations, Entanglements and Dynamics in Ionic Nanocomposites: A Molecular Dynamics Study.

Ahmad Moghimikheirabadi¹, Clément Mugemana², Martin Kröger¹

¹Polymer Physics, Department of Materials, ETH Zurich, Leopold-Ruzicka-Weg 4, CH-8093 Zurich, Switzerland.

|November 7, 2020

Summary

Ionic nanocomposites show improved nanoparticle dispersion and dynamics. Polymer chain conformations are affected by charged nanoparticles, while entanglements decrease with higher nanoparticle loading.

Keywords:

charged nanoparticles crosslinks dynamics entangled polymers entanglements ionic interactions structure

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Area of Science:

Materials Science
Polymer Science
Computational Chemistry

Background:

Ionic nanocomposites offer tunable properties through nanoparticle (NP) integration.
Understanding NP dispersion, polymer behavior, and dynamics is crucial for material design.

Purpose of the Study:

Investigate nanoparticle dispersion, polymer conformations, entanglements, and dynamics in ionic nanocomposites.
Determine the influence of NP loading, molecular weight, Bjerrum length, and polymer charge sequencing on material properties.

Main Methods:

Utilized molecular dynamics simulations to study various nanocomposite systems.
Analyzed parameters including radii of gyration, polymer-polymer entanglements, and crosslink dynamics.

Main Results:

Achieved NP dispersion in both oligomeric and entangled polymer matrices via electrostatic interactions.
Ionic NP presence affects oligomer conformations but not entangled polymer dimensions.
Polymer and NP dynamics, crosslink lifetime, and entanglements depend on ionic parameters and NP loading.

Conclusions:

Electrostatic interactions drive NP dispersion in ionic nanocomposites.
Material dynamics and structure are significantly influenced by nanoparticle characteristics and ionic parameters.
Ionic NP dynamics are enhanced in entangled matrices and increase with NP loading.