Dispersion and Aggregation of Polymer Grafted Particles in Polymer Nanocomposites Driven by the Hardness and Size of the Grafted Layer Tuned by Attractive Graft–Matrix Interactions

We use molecular dynamics (MD) simulations and Polymer Reference Interaction Site Model (PRISM) theory with a coarse-grained (CG) model to study polymer nanocomposites (PNCs) comprised of polymer grafted nanoparticles in a polymer matrix. Specifically, we describe the impact of increasing graft–matr...

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Veröffentlicht in:Macromolecules 2020-02, Vol.53 (4), p.1302-1313
Hauptverfasser: Kulshreshtha, Arjita, Jayaraman, Arthi
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Sprache:eng
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