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Comparing different force fields by viscosity prediction for branched alkane at 0.1 and 400 MPa

Тип публикацииJournal Article
Дата публикации2019-11-01
SJR0.187
CiteScore1.3
Impact factor
ISSN17426588, 17426596
General Physics and Astronomy
Краткое описание

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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Journal of Molecular Liquids
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Journal of Physical Chemistry A
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Machine Learning: Science and Technology
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ACS Sustainable Chemistry and Engineering
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Polymer Science - Series C
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Высокомолекулярные соединения С
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ГОСТ |
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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.
ГОСТ со всеми авторами (до 50) Скопировать
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.
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 -
BibTex |
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BibTex (до 50 авторов) Скопировать
@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}
}
MLA
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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.