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Molecular simulation of nanoparticle diffusion at fluid interfaces

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Cheung, David L.. (2010) Molecular simulation of nanoparticle diffusion at fluid interfaces. Chemical Physics Letters, Vol.495 (No.1-3). pp. 55-59. ISSN 0009-2614

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Abstract

Using molecular dynamics simulations the transport properties of a model nanoparticle in solution are studied. In bulk solvent the translational diffusion coefficients are in good agreement with previous simulation and experimental work, while the rotational diffusion is more rapid than in previous simulations. When the nanoparticle is adsorbed at a liquid-liquid interface it becomes strongly attached to the interface. This leads to highly anisotropic motion with in-plane diffusion being several orders of magnitude larger than out-of-plane diffusion. By contrast the rotational diffusion is only slightly changed when the particle is adsorbed at the interface. (C) 2010 Elsevier B.V. All rights reserved.

Item Type: Journal Article
Subjects: Q Science > QD Chemistry
Q Science > QC Physics
Divisions: Faculty of Science > Chemistry
Library of Congress Subject Headings (LCSH): Nanoparticles, Diffusion, Molecular dynamics -- Computer simulation, Nanoparticles -- Transport properties, Liquid-liquid interfaces
Journal or Publication Title: Chemical Physics Letters
Publisher: Elsevier BV
ISSN: 0009-2614
Official Date: 29 July 2010
Volume: Vol.495
Number: No.1-3
Number of Pages: 5
Page Range: pp. 55-59
Identification Number: 10.1016/j.cplett.2010.06.074
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access
Funder: Engineering and Physical Sciences Research Council (EPSRC), European Research Council (ERC)
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URI: http://wrap.warwick.ac.uk/id/eprint/5527

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