An accurate equation of state for the exponential-6 fluid applied to dense supercritical nitrogen
Тип публикации: Journal Article
Дата публикации: 1998-11-01
SCImago Q1
WOS Q1
БС2
SJR: 0.877
CiteScore: 5.3
Impact factor: 3.7
ISSN: 00219606, 10897690
Physical and Theoretical Chemistry
General Physics and Astronomy
Краткое описание
The exponential-6 potential model is widely used in fluid equation of state studies. We have developed an accurate and efficient complete equation of state for the exponential-6 fluid based on HMSA integral equation theory and Monte Carlo calculations. Our equation of state has average fractional error of 0.2% in pV/NkBT and 0.3% in the excess energy Uex/NkBT. This is a substantial improvement in accuracy over perturbation methods, which are typically used in treatments of dense fluid equations of state. We have applied our equation of state to the problem of dense supercritical N2. We find that we are able to accurately reproduce a wide range of material properties with our model, over a range 0.01⩽P⩽100 GPa and 298⩽T⩽15 000 K.
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Fried L. E., Howard W. M. An accurate equation of state for the exponential-6 fluid applied to dense supercritical nitrogen // Journal of Chemical Physics. 1998. Vol. 109. No. 17. pp. 7338-7348.
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Fried L. E., Howard W. M. An accurate equation of state for the exponential-6 fluid applied to dense supercritical nitrogen // Journal of Chemical Physics. 1998. Vol. 109. No. 17. pp. 7338-7348.
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TY - JOUR
DO - 10.1063/1.476520
UR - https://doi.org/10.1063/1.476520
TI - An accurate equation of state for the exponential-6 fluid applied to dense supercritical nitrogen
T2 - Journal of Chemical Physics
AU - Fried, Laurence E
AU - Howard, W. Michael
PY - 1998
DA - 1998/11/01
PB - AIP Publishing
SP - 7338-7348
IS - 17
VL - 109
SN - 0021-9606
SN - 1089-7690
ER -
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@article{1998_Fried,
author = {Laurence E Fried and W. Michael Howard},
title = {An accurate equation of state for the exponential-6 fluid applied to dense supercritical nitrogen},
journal = {Journal of Chemical Physics},
year = {1998},
volume = {109},
publisher = {AIP Publishing},
month = {nov},
url = {https://doi.org/10.1063/1.476520},
number = {17},
pages = {7338--7348},
doi = {10.1063/1.476520}
}
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MLA
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Fried, Laurence E., and W. Michael Howard. “An accurate equation of state for the exponential-6 fluid applied to dense supercritical nitrogen.” Journal of Chemical Physics, vol. 109, no. 17, Nov. 1998, pp. 7338-7348. https://doi.org/10.1063/1.476520.
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