Research output: Contribution to journal › Article › peer-review
Molecular dynamics simulation of water-based nanofluids viscosity. / Rudyak, V.; Krasnolutskii, S.; Belkin, A. et al.
In: Journal of Thermal Analysis and Calorimetry, Vol. 145, No. 6, 09.2021, p. 2983-2990.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Molecular dynamics simulation of water-based nanofluids viscosity
AU - Rudyak, V.
AU - Krasnolutskii, S.
AU - Belkin, A.
AU - Lezhnev, E.
PY - 2021/9
Y1 - 2021/9
N2 - The shear viscosity coefficients of water and water-based nanofluids with copper particles are calculated by the molecular dynamics method. Copper nanoparticles with a diameter of 2, 4 and 10 nm were used in the simulation. The volume fraction of nanoparticles was varied from 1 to 5%. The interaction of water molecules with each other was modeled using the Lennard–Jones potential. The Rudyak–Krasnolutskii and Rudyak–Krasnolutskii–Ivanov potentials were used as nanoparticle–molecule and nanoparticles interaction potentials, respectively. The viscosity coefficient was calculated using the fluctuation–dissipation theorem by the Green–Kubo formula. It is shown that the viscosity of the nanofluid significantly exceeds the viscosity of the coarse-grained suspension and increases with a decrease in the nanoparticles size at their fixed volume fraction. The correlation functions determining the viscosity coefficient of the nanofluid were analyzed in detail. The radial distribution functions of pure water and nanofluids are also presented in the paper. It is shown that the liquid near the nanoparticle is structured much more strongly than in the bulk. This greater ordering of the nanofluid is one of the main factors determining the increase in nanofluids viscosity.
AB - The shear viscosity coefficients of water and water-based nanofluids with copper particles are calculated by the molecular dynamics method. Copper nanoparticles with a diameter of 2, 4 and 10 nm were used in the simulation. The volume fraction of nanoparticles was varied from 1 to 5%. The interaction of water molecules with each other was modeled using the Lennard–Jones potential. The Rudyak–Krasnolutskii and Rudyak–Krasnolutskii–Ivanov potentials were used as nanoparticle–molecule and nanoparticles interaction potentials, respectively. The viscosity coefficient was calculated using the fluctuation–dissipation theorem by the Green–Kubo formula. It is shown that the viscosity of the nanofluid significantly exceeds the viscosity of the coarse-grained suspension and increases with a decrease in the nanoparticles size at their fixed volume fraction. The correlation functions determining the viscosity coefficient of the nanofluid were analyzed in detail. The radial distribution functions of pure water and nanofluids are also presented in the paper. It is shown that the liquid near the nanoparticle is structured much more strongly than in the bulk. This greater ordering of the nanofluid is one of the main factors determining the increase in nanofluids viscosity.
KW - Molecular dynamic simulation
KW - Nanofluid
KW - Nanoparticle
KW - Radial distribution function
KW - Viscosity coefficient
KW - SHEAR VISCOSITY
KW - SIZE
KW - MODEL
KW - THERMAL-CONDUCTIVITY
KW - HEAT
KW - NANOPARTICLES
KW - LIQUID WATER
KW - DIFFUSION
UR - http://www.scopus.com/inward/record.url?scp=85086879764&partnerID=8YFLogxK
U2 - 10.1007/s10973-020-09873-8
DO - 10.1007/s10973-020-09873-8
M3 - Article
AN - SCOPUS:85086879764
VL - 145
SP - 2983
EP - 2990
JO - Journal of Thermal Analysis and Calorimetry
JF - Journal of Thermal Analysis and Calorimetry
SN - 1388-6150
IS - 6
ER -
ID: 24617847