Vol. 24, issue 06, article # 15

Rudyak V. Ya., Krasnolutskii S. L., Ivanov D. A. Nanoparticles diffusion simulation in fluids by the molecular dynamics method. // Optika Atmosfery i Okeana. 2011. V. 24. No. 06. P. 529-533 [in Russian].
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Abstract:

This paper 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 nano-particle velocity autocorrelation function is studied. It is shown that the diffusion coefficient of 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.

Keywords:

velocity autocorrelation function, diffusion coefficient, temperature dependence, nanoparticle