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Vestnik SamGU. Estestvenno-Nauchnaya Ser., 2011, Issue 5(86), Pages 93–103
(Mi vsgu82)
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This article is cited in 1 scientific paper (total 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
(published under the terms of the Creative Commons Attribution 4.0 International License)
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.
Received: 22.03.2011 Revised: 22.03.2011
Citation:
E. D. Gaiduk, V. A. Saleev, “Simulation of transport phenomena of fullerenes in the fluid by method of molecular dynamics”, Vestnik Samarskogo Gosudarstvennogo Universiteta. Estestvenno-Nauchnaya Seriya, 2011, no. 5(86), 93–103
Linking options:
https://www.mathnet.ru/eng/vsgu82 https://www.mathnet.ru/eng/vsgu/y2011/i5/p93
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