Open Access
Comparing different force fields by viscosity prediction for branched alkane at 0.1 and 400 MPa
Publication type: Journal Article
Publication date: 2019-11-01
SJR: 0.187
CiteScore: 1.3
Impact factor: —
ISSN: 17426588, 17426596
General Physics and Astronomy
Abstract
Shear viscosity is one of the key subjects of molecular modeling studies since this quality is used in the development of lubricants. In this paper, molecular dynamics methods are used to compute viscosity at 298 K and 0.1 MPa, 400 MPa for 2,2,4-trimethylpentane for which experimental data are available. Three different force fields are compared by the ability to predict the shear viscosity coefficient at these two pressures.
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Total citations:
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Citations from 2024:
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(30%)
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GOST
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Kondratyuk N. D. Comparing different force fields by viscosity prediction for branched alkane at 0.1 and 400 MPa // Journal of Physics: Conference Series. 2019. Vol. 1385. No. 1. p. 12048.
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Kondratyuk N. D. Comparing different force fields by viscosity prediction for branched alkane at 0.1 and 400 MPa // Journal of Physics: Conference Series. 2019. Vol. 1385. No. 1. p. 12048.
Cite this
RIS
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TY - JOUR
DO - 10.1088/1742-6596/1385/1/012048
UR - https://iopscience.iop.org/article/10.1088/1742-6596/1385/1/012048
TI - Comparing different force fields by viscosity prediction for branched alkane at 0.1 and 400 MPa
T2 - Journal of Physics: Conference Series
AU - Kondratyuk, Nikolay D.
PY - 2019
DA - 2019/11/01
PB - IOP Publishing
SP - 12048
IS - 1
VL - 1385
SN - 1742-6588
SN - 1742-6596
ER -
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BibTex (up to 50 authors)
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@article{2019_Kondratyuk,
author = {Nikolay D. Kondratyuk},
title = {Comparing different force fields by viscosity prediction for branched alkane at 0.1 and 400 MPa},
journal = {Journal of Physics: Conference Series},
year = {2019},
volume = {1385},
publisher = {IOP Publishing},
month = {nov},
url = {https://iopscience.iop.org/article/10.1088/1742-6596/1385/1/012048},
number = {1},
pages = {12048},
doi = {10.1088/1742-6596/1385/1/012048}
}
Cite this
MLA
Copy
Kondratyuk, N. D., et al. “Comparing different force fields by viscosity prediction for branched alkane at 0.1 and 400 MPa.” Journal of Physics: Conference Series, vol. 1385, no. 1, Nov. 2019, p. 12048. https://iopscience.iop.org/article/10.1088/1742-6596/1385/1/012048.
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