Nanoparticle thermal diffusion simulation in dense gases and fluids by the molecular dynamics method
V.Ya. Rudyak, S.L. Krasnolutskii
The Novosibirsk State University of architecture and Civil Engineering, 630008, Novosibirsk, 113 Leningradskaya Street 3
Keywords: коэффициент термодиффузии, коэффициент Соре, наночастицы, наножидкость, диффузия, аэрозоль, thermal diffusion coefficient, Soret coefficient, nanoparticles, nanofluids, diffusion, aerosol
Abstract
This paper is devoted to studying the thermal diffusion of nanoparticles in dense gases and liquids by the method of molecular dynamics with Rudyak-Krasnolutskii nanoparticle-molecule potential and Rudyak-Krasnolutskii-Ivanov nanoparticle-nanoparticle potential. Thermal diffusion and binary diffusion coefficients were calculated with the help of the fluctuation-dissipation theorem. Nanofluids simulated consisted of argon as а carrier medium and aluminum nanoparticles. Dependences of the thermal diffusion and Soret coefficients of nanoparticles on their diameter and volume concentration were obtained. For small diameter nanoparticles (1-4 nm) thermal diffusion coefficient showed a significant dependence on their size.
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