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Molecular dynamics study of nanoparticle stability at liquid interfaces : effect of nanoparticle-solvent interaction and capillary waves
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Cheung, David L. (2011) Molecular dynamics study of nanoparticle stability at liquid interfaces : effect of nanoparticle-solvent interaction and capillary waves. The Journal of Chemical Physics, Vol.135 (No.5). 054704. doi:10.1063/1.3618553 ISSN 0021-9606.
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WRAP_Cheung_0380769-ch-251011-ljnanoparticle.pdf - Accepted Version - Requires a PDF viewer. Download (437Kb) |
Official URL: http://dx.doi.org/10.1063/1.3618553
Abstract
While the interaction of colloidal particles (sizes in excess of 100 nm) with liquid interfaces may be understood in terms of continuum models, which are grounded in macroscopic properties such as surface and line tensions, the behaviour of nanoparticles at liquid interfaces may be more complex. Recent simulations [D. L. Cheung and S. A. F. Bon, Phys. Rev. Lett. 102, 066103 (2009)] of nanoparticles at an idealised liquid-liquid interface showed that the nanoparticle-interface interaction range was larger than expected due, in part, to the action of thermal capillary waves. In this paper, molecular dynamics simulations of a Lennard-Jones nanoparticle in a binary Lennard-Jones mixture are used to confirm that these previous results hold for more realistic models. Furthermore by including attractive interactions between the nanoparticle and the solvent, it is found that the detachment energy decreases as the nanoparticle-solvent attraction increases. Comparison between the simulation results and recent theoretical predictions [H. Lehle and M. Oettel, J. Phys. Condens. Matter 20, 404224 (2008)] shows that for small particles the incorporation of capillary waves into the predicted effective nanoparticle-interface interaction improves agreement between simulation and theory.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QD Chemistry | ||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Centre for Scientific Computing |
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Library of Congress Subject Headings (LCSH): | Nanoparticles -- Mathematical models, Liquid-liquid interfaces -- Mathematical models, Solvents -- Mathematical models | ||||
Journal or Publication Title: | The Journal of Chemical Physics | ||||
Publisher: | American Institute of Physics | ||||
ISSN: | 0021-9606 | ||||
Official Date: | 7 August 2011 | ||||
Dates: |
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Volume: | Vol.135 | ||||
Number: | No.5 | ||||
Page Range: | 054704 | ||||
DOI: | 10.1063/1.3618553 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access | ||||
Date of first compliant deposit: | 18 December 2015 | ||||
Date of first compliant Open Access: | 18 December 2015 | ||||
Funder: | European Research Council (ERC), University of Warwick, Leverhulme Trust (LT) | ||||
Grant number: | ECF/2010/0254 (LT) |
Data sourced from Thomson Reuters' Web of Knowledge
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