期刊
MICROFLUIDICS AND NANOFLUIDICS
卷 11, 期 4, 页码 501-506出版社
SPRINGER HEIDELBERG
DOI: 10.1007/s10404-011-0815-4
关键词
Velocity autocorrelation function; Nanoparticle; Diffusion coefficient; Temperature dependence; Nanofluid
资金
- Russian Foundation for Basic Research [10-01-00074]
- Federal Special Program [P230, 14.740.11.0579]
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.
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