Open Access
Shear viscosity of n-pentane from diffusivity based molecular dynamics methods
Nikolay D. Kondratyuk
1, 2, 3
,
Maksim A Orekhov
1, 2, 3
Publication type: Journal Article
Publication date: 2020-05-01
SJR: 0.187
CiteScore: 1.3
Impact factor: —
ISSN: 17426588, 17426596
General Physics and Astronomy
Abstract
The molecular dynamics methods for calculation of shear viscosity based on liquid diffusivity are tested against the classical Green–Kubo relation for n-pentane at 330 K and 0.601 g/cm3. The D-based method is shown to be as accurate as calculation of viscosity from the Green–Kubo formalism for pentane liquid. Stokes–Einstein relation is also in agreement with simulation results. However, it has much bigger uncertainty. The results of the simulation are in agreement with experimental data.
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Total citations:
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Citations from 2024:
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GOST
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Kondratyuk N. D. et al. Shear viscosity of n-pentane from diffusivity based molecular dynamics methods // Journal of Physics: Conference Series. 2020. Vol. 1556. No. 1. p. 12048.
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Kondratyuk N. D., Orekhov M. A. Shear viscosity of n-pentane from diffusivity based molecular dynamics methods // Journal of Physics: Conference Series. 2020. Vol. 1556. No. 1. p. 12048.
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TY - JOUR
DO - 10.1088/1742-6596/1556/1/012048
UR - https://iopscience.iop.org/article/10.1088/1742-6596/1556/1/012048
TI - Shear viscosity of n-pentane from diffusivity based molecular dynamics methods
T2 - Journal of Physics: Conference Series
AU - Kondratyuk, Nikolay D.
AU - Orekhov, Maksim A
PY - 2020
DA - 2020/05/01
PB - IOP Publishing
SP - 12048
IS - 1
VL - 1556
SN - 1742-6588
SN - 1742-6596
ER -
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BibTex (up to 50 authors)
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@article{2020_Kondratyuk,
author = {Nikolay D. Kondratyuk and Maksim A Orekhov},
title = {Shear viscosity of n-pentane from diffusivity based molecular dynamics methods},
journal = {Journal of Physics: Conference Series},
year = {2020},
volume = {1556},
publisher = {IOP Publishing},
month = {may},
url = {https://iopscience.iop.org/article/10.1088/1742-6596/1556/1/012048},
number = {1},
pages = {12048},
doi = {10.1088/1742-6596/1556/1/012048}
}
Cite this
MLA
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Kondratyuk, Nikolay D., et al. “Shear viscosity of n-pentane from diffusivity based molecular dynamics methods.” Journal of Physics: Conference Series, vol. 1556, no. 1, May. 2020, p. 12048. https://iopscience.iop.org/article/10.1088/1742-6596/1556/1/012048.