Publication detail

Effect of Interfacial Interactions on the Crystal Growth Rate in Model PE/SiO2 Nanocomposites: Comparing Experiments With Lauritzen-Hoffman Model and MD Simulation

JANČÁŘ, J. BÁLKOVÁ, R.

Original Title

Effect of Interfacial Interactions on the Crystal Growth Rate in Model PE/SiO2 Nanocomposites: Comparing Experiments With Lauritzen-Hoffman Model and MD Simulation

Type

journal article in Web of Science

Language

English

Original Abstract

Nanoparticles with engineered surface chemistry represent novel means in controlling the in-situ formation of property-specific supramolecular structure in advanced processing technologies of semicrystalline polymers. Often, the published experimental data on effects of interfacial adhesion on the crystallization kinetics of polymer nanocomposites report contradictory results even for similar systems. Computer simulations allow separating structural and test variables, thus, can provide useful framework for understanding these apparent controversies. Our MD simulation of Regime II crystallization showed that adding non-nucleating spherical nanoparticles reduced the crystal growth rate, G(II), compared with the neat polymer with the extent of the reduction proportional to the strength of interfacial attraction. It also suggested that, regardless of the strength of the interfacial interactions, additional reduction of the G(II) was caused by topological constraints imposed by nanoparticles on the stem attachment. Both the Lauritzen-Hoffman model predicted and MD simulated G(II) reduction agreed fairly well with that obtained experimentally for monodisperse PE filled with nanometer-sized SiO2. (c) 2013 Society of Plastics Engineers

Keywords

Nanocomposites, fumed nanosilica, crystal growth rate, Lauritzen-Hofman model, MD simulation

Authors

JANČÁŘ, J.; BÁLKOVÁ, R.

RIV year

2013

Released

1. 12. 2013

Publisher

Wiley

Location

USA

ISBN

0032-3888

Periodical

Polymer Engineering and Science

Year of study

53

Number

12

State

United States of America

Pages from

2696

Pages to

2704

Pages count

9

URL

https://onlinelibrary.wiley.com/doi/full/10.1002/pen.23524

BibTex

@article{BUT104454,
  author="Josef {Jančář} and Radka {Bálková}",
  title="Effect of Interfacial Interactions on the Crystal Growth Rate in Model PE/SiO2 Nanocomposites: Comparing Experiments With Lauritzen-Hoffman Model and MD Simulation",
  journal="Polymer Engineering and Science",
  year="2013",
  volume="53",
  number="12",
  pages="2696--2704",
  doi="10.1002/pen.23524",
  issn="0032-3888",
  url="https://onlinelibrary.wiley.com/doi/full/10.1002/pen.23524"
}