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Title: Mathematical modelling for equilibrium configurations of concentric gold nanoparticles
Authors: Duangkamon Baowan
Kittisak Chayantrakom
Pairote Satiracoo
Barry J. Cox
Mahidol University
South Carolina Commission on Higher Education
University of Adelaide
Keywords: Chemistry;Mathematics
Issue Date: 1-May-2011
Citation: Journal of Mathematical Chemistry. Vol.49, No.5 (2011), 1042-1053
Abstract: Nanotechnology is a promising research area, and it is believed that the unique properties of molecules at the nano-scale will benefit mankind especially in the medical exploration. Here we utilize an applied mathematical modelling to investigate spherical and cylindrical concentric structures of gold nanoparticles, with the aim of maximising the free space for which to improve amount of drug or gene to bind on the nanoparticle surfaces and deliver to the target cells. The energy between two gold molecules is modelled by the 6-12 Lennard-Jones potential function, and the total potential between two layers for such particles is calculated using the continuous approximation. On minimising the energy function, the radii for five layers for the concentric sphere and likewise for the cylinder are presented. Further, the equilibrium spacing between any two layers is predicted to lie in the range 2.94-2.96 Å, for both concentric structures. There are at present no experimental or simulation results for comparison with the theoretical equilibrium configurations for concentric gold nanoparticles predicted by this study. © 2010 Springer Science+Business Media, LLC.
ISSN: 02599791
Appears in Collections:Scopus 2011-2015

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