Geodesic
Simulation of transport phenomena of fullerenes in the fluid by method of molecular dynamics
Vestnik Samarskogo universiteta. Estestvennonaučnaâ seriâ, no. 5 (2011), pp. 93-103

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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, viscosity coefficient.
Mots-clés : diffusion coefficient 
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     author = {E. D. Gaiduk and V. A. Saleev},
     title = {Simulation of transport phenomena of fullerenes in the fluid by method of molecular dynamics},
     journal = {Vestnik Samarskogo universiteta. Estestvennonau\v{c}na\^a seri\^a},
     pages = {93--103},
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     year = {2011},
     language = {ru},
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E. D. Gaiduk; V. A. Saleev. Simulation of transport phenomena of fullerenes in the fluid by method of molecular dynamics. Vestnik Samarskogo universiteta. Estestvennonaučnaâ seriâ, no. 5 (2011), pp. 93-103. http://geodesic.mathdoc.fr/item/VSGU_2011_5_a9/