Monte Carlo Simulation Studies on the Effect of Entropic Attraction on the Electric Conductivity in Polymer Nano-Composites

Authors
Cho, Hyun WooNam, SeungwoongKwon, GyeminKim, HeesukSung, Bong June
Issue Date
2014-07
Publisher
AMER SCIENTIFIC PUBLISHERS
Citation
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, v.14, no.7, pp.5103 - 5108
Abstract
The effect of non-conductive nano-particles on the electrical percolating network formation and the electrical conductivity of conductive nano-particles in polymer matrices is investigated using Monte Carlo simulations and a percolation theory. Both conductive and non-conductive nano-particles are modeled as spheres but with different diameters. Non-conductive nano-particles are up to four times bigger than conductive nano-particles. Equilibrated configurations for mixtures of nano-particles are obtained via Monte Carlo simulations and are used to estimate the probability (P) of forming an electrical percolating network and the percolation threshold conductive nano-particle volume fraction (phi(c)). As the volume fraction (phi(nc)) of non-conductive nano-particles increases, phi(c) decreases significantly, thus increasing the electrical conductivity. When non-conductive nano-particles mix with conductive nano-particles, they make the effective interaction energy W (r) between conductive nano-particles attractive, which should facilitate the formation of the electrical percolating network. For a given phi(nc), phi(c) increases slightly with an increase in the non-conductive nano-particle diameter (sigma(nc)). We also carry out simulations with non-conductive nano-particles of different structures and find that phi(c) is relatively insensitive to the non-conductive nano-particle structure.
Keywords
WALLED CARBON NANOTUBES; PERCOLATION-THRESHOLD; NANOCOMPOSITES; DIMENSIONS; PARTICLES; COLLOIDS; WALLED CARBON NANOTUBES; PERCOLATION-THRESHOLD; NANOCOMPOSITES; DIMENSIONS; PARTICLES; COLLOIDS; Polymer Nano-Composite; Electric Conductivity; Percolation; Entropic Attraction
ISSN
1533-4880
URI
https://pubs.kist.re.kr/handle/201004/126668
DOI
10.1166/jnn.2014.8419
Appears in Collections:
KIST Article > 2014
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