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Teplofizika vysokikh temperatur, 2022, Volume 60, Issue 5, Pages 682–691
DOI: https://doi.org/10.31857/S0040364422040032
(Mi tvt11604)
 

Thermophysical Properties of Materials

Study of versions of thermodynamic perturbation theory for simulation of the properties of binary mixtures of fluids in wide ranges of pressures and temperatures

Y. A. Bogdanova, S. A. Gubin

National Engineering Physics Institute "MEPhI", Moscow
Abstract: The article considers the main provisions of three versions of perturbation theory: BH (D. Henderson and J.A. Barker), WCA (J.D. Weeks, D. Chandler, and H.C. Andersen), and KLRR (H.S. Kang, C.S. Lee, T. Ree, and F.H. Ree) used to calculate the thermodynamic properties of binary mixtures of dense gases in a wide range of pressures and temperatures. The interaction of molecules is described using the spherically symmetric pair potential exp-$6$. Verification was carried out by comparing experimental data on the compression of binary helium–hydrogen and ammonia–hydrogen mixtures, as well as on shock-wave compression of liquid $\rm N_2{,}~\rm O_2$ with the results of equilibrium thermodynamic calculations and Monte Carlo simulations. It is shown that for thermodynamic simulation of the properties of binary mixtures, the most accurate version of perturbation theory is the modernized KLRR-T theory.
Funding agency Grant number
Ministry of Science and Higher Education of the Russian Federation 075-15-2020-785
The study was supported by the Ministry of Science and Higher Education of the Russian Federation (agreement with JIHT RAS no. 075-15-2020-785 of September 23, 2020).
Received: 28.06.2021
Revised: 16.07.2021
Accepted: 28.09.2021
English version:
High Temperature, 2022, Volume 60, Issue 5, Pages 621–630
DOI: https://doi.org/10.1134/S0018151X22040034
Bibliographic databases:
Document Type: Article
UDC: 536.71
Language: Russian
Citation: Y. A. Bogdanova, S. A. Gubin, “Study of versions of thermodynamic perturbation theory for simulation of the properties of binary mixtures of fluids in wide ranges of pressures and temperatures”, TVT, 60:5 (2022), 682–691; High Temperature, 60:5 (2022), 621–630
Citation in format AMSBIB
\Bibitem{BogGub22}
\by Y.~A.~Bogdanova, S.~A.~Gubin
\paper Study of versions of thermodynamic perturbation theory for simulation of the properties of binary mixtures of fluids in wide ranges of pressures and temperatures
\jour TVT
\yr 2022
\vol 60
\issue 5
\pages 682--691
\mathnet{http://mi.mathnet.ru/tvt11604}
\crossref{https://doi.org/10.31857/S0040364422040032}
\elib{https://elibrary.ru/item.asp?id=49991218}
\transl
\jour High Temperature
\yr 2022
\vol 60
\issue 5
\pages 621--630
\crossref{https://doi.org/10.1134/S0018151X22040034}
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