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JOURNALS // Vestnik Samarskogo Universiteta. Estestvenno-Nauchnaya Seriya // Archive

Vestnik Samarskogo Gosudarstvennogo Universiteta. Estestvenno-Nauchnaya Seriya, 2011 Issue 5(86), Pages 93–103 (Mi vsgu82)

This article is cited in 1 paper

Mathematic Modeling

Simulation of transport phenomena of fullerenes in the fluid by method of molecular dynamics

E. D. Gaiduk, V. A. Saleev

Dept. of Mathematic Simulation in Mechanics, Samara State University, Samara, 443011, Russian Federation

Abstract: In the frameworks of classical molecular dynamics method the coefficients of diffusion and viscosity of fullerenes in fluid (benzol) depending on the temperature of nanosuspension have been calculated.The effective potential of fullerene-molecule interaction used in calculations is obtained under the assumption of additivity of fullerene and fluid molecules interaction, where fullerene is considered as a solid particle.

Keywords: molecular dynamics, fullerene-in-benzol nanosuspensions, diffusion coefficient, viscosity coefficient.

UDC: 51.72+519.62

Received: 22.03.2011
Revised: 22.03.2011



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