Transport coefficients of model lubricants up to 400 MPa from molecular dynamics.
Publication type: Journal Article
Publication date: 2020-05-21
scimago Q1
wos Q2
SJR: 0.819
CiteScore: 5.3
Impact factor: 3.1
ISSN: 00219606, 10897690
PubMed ID:
33687262
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
In this paper, the predictive power of molecular dynamics methods is demonstrated for the cases of model paraffinic and aromatic lubricant liquids at pressures up to 400 MPa. The shear viscosity and self-diffusion coefficients are calculated for 2,2,4-trimethylpentane (C8H18) at 298 K and 1,1-diphenylethane (C14H14) at 333 K. Three force fields with different levels of accuracy are compared by the ability to predict the experimental data. The Stokes–Einstein correlation between viscosity and self-diffusion is demonstrated for both compounds.
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30
Total citations:
30
Citations from 2024:
10
(33%)
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MLA
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GOST
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Kondratyuk N. D. et al. Transport coefficients of model lubricants up to 400 MPa from molecular dynamics. // Journal of Chemical Physics. 2020. Vol. 152. No. 19. p. 191104.
GOST all authors (up to 50)
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Kondratyuk N. D., Lenev D., Pisarev V. V. Transport coefficients of model lubricants up to 400 MPa from molecular dynamics. // Journal of Chemical Physics. 2020. Vol. 152. No. 19. p. 191104.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1063/5.0008907
UR - https://doi.org/10.1063/5.0008907
TI - Transport coefficients of model lubricants up to 400 MPa from molecular dynamics.
T2 - Journal of Chemical Physics
AU - Kondratyuk, Nikolay D.
AU - Lenev, D
AU - Pisarev, V. V.
PY - 2020
DA - 2020/05/21
PB - AIP Publishing
SP - 191104
IS - 19
VL - 152
PMID - 33687262
SN - 0021-9606
SN - 1089-7690
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2020_Kondratyuk,
author = {Nikolay D. Kondratyuk and D Lenev and V. V. Pisarev},
title = {Transport coefficients of model lubricants up to 400 MPa from molecular dynamics.},
journal = {Journal of Chemical Physics},
year = {2020},
volume = {152},
publisher = {AIP Publishing},
month = {may},
url = {https://doi.org/10.1063/5.0008907},
number = {19},
pages = {191104},
doi = {10.1063/5.0008907}
}
Cite this
MLA
Copy
Kondratyuk, Nikolay D., et al. “Transport coefficients of model lubricants up to 400 MPa from molecular dynamics..” Journal of Chemical Physics, vol. 152, no. 19, May. 2020, p. 191104. https://doi.org/10.1063/5.0008907.