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Issue 19, 2012
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On the crystallization of polymer composites with inorganic fullerene-like particles

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Abstract

The effect of a sulfide fullerene-like particle embedded into a polymer has been studied by molecular dynamics simulations on the nanosecond time scale using a mesoscopic Van der Waals force field evaluated for the case of a spherical particle. Even in this approach, neglecting the atomistic features of the surface, the inorganic particle acts as a nucleation agent facilitating the crystallization of the polymeric sample. A consideration of the Van der Waals force field of multi-walled sulfide nanoparticles suggests that in the absence of chemical interactions the size of the nanoparticle is dominating for the adhesion strength, while the number of sulfide layers composing the cage does not play a role.

Graphical abstract: On the crystallization of polymer composites with inorganic fullerene-like particles

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Publication details

The article was received on 15 Jan 2012, accepted on 20 Mar 2012 and first published on 21 Mar 2012


Article type: Paper
DOI: 10.1039/C2CP40142H
Citation: Phys. Chem. Chem. Phys., 2012,14, 7104-7111
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    On the crystallization of polymer composites with inorganic fullerene-like particles

    A. N. Enyashin and P. Yu. Glazyrina, Phys. Chem. Chem. Phys., 2012, 14, 7104
    DOI: 10.1039/C2CP40142H

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