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Microfluidics and Nanofluidics

, Volume 11, Issue 4, pp 501–506 | Cite as

Molecular dynamics simulation of nanoparticle diffusion in dense fluids

  • Valery Ya. RudyakEmail author
  • Sergey L. Krasnolutskii
  • Denis A. Ivanov
Research Paper

Abstract

This article deals with a molecular dynamics simulation of the diffusion of nanoparticles in dense gases and liquids using the Rudyak–Krasnolutskii nanoparticle–molecule potential. Interaction of molecules of the carrier fluid is described by the Lennard-Jones potential. The behavior of the nanoparticle velocity autocorrelation function is studied. It is shown by molecular dynamics simulation that the diffusion coefficient of small nanoparticles depends greatly on the nanoparticle material. Relations are obtained between the diffusion coefficient of nanoparticles and the nanoparticle radius and the temperature of the medium. These relations differ from the corresponding Einstein relation for Brownian particles.

Keywords

Velocity autocorrelation function Nanoparticle Diffusion coefficient Temperature dependence Nanofluid 

Notes

Acknowledgments

This study was supported in part by the Russian Foundation for Basic Research (grant no. 10-01-00074) and the Federal Special Program “Scientific and scientific-pedagogical personnel of innovative Russia in 2009–2013” (contracts nos. P230 and 14.740.11.0579).

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Copyright information

© Springer-Verlag 2011

Authors and Affiliations

  • Valery Ya. Rudyak
    • 1
    Email author
  • Sergey L. Krasnolutskii
    • 1
  • Denis A. Ivanov
    • 1
  1. 1.Novosibirsk State University of Architecture and Civil EngineeringNovosibirskRussia

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