Monte Carlo simulation studies on the effect of entropic attraction on the electric conductivity in polymer nano-composites

Title
Monte Carlo simulation studies on the effect of entropic attraction on the electric conductivity in polymer nano-composites
Authors
조현우남승웅권계민김희숙성봉준
Keywords
Polymer Nano-Composite; Electric Conductivity; Percolation; Entropic Attraction
Issue Date
2014-07
Publisher
Journal of nanoscience and nanotechnology
Citation
VOL 14, NO 7, 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 (φc ). As the volume fraction (φ nc) of non-conductive nano-particles increases, φc 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 φ nc, φc increases slightly with an increase in the non-conductive nano-particle diameter (σnc). We also carry out simulations with non-conductive nano-particles of different structures and find that φc is relatively insensitive to the non-conductive nano-particle structure.
URI
http://pubs.kist.re.kr/handle/201004/47338
ISSN
15334880
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KIST Publication > Article
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