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Matem. Mod., 2019, Volume 31, Number 8, Pages 44–60 (Mi mm4102)  

This article is cited in 1 scientific paper (total in 1 paper)

Molecular dynamic calculation of technical gases macroparameters on example of argon, nitrogen, hydrogen and methane

V. O. Podrygaab, E. V. Vikhrovac, S. V. Polyakovac

a Keldysh Institute of Applied Mathematics of RAS
b Moscow Automobile and Road Construction State Technical University
c National Research Nuclear University MEPhI

Abstract: This work is devoted to molecular dynamics calculations of the properties of technical gases, the study of which is a traditional problem of the physics of matter. At present, there is an increased interest in this problem in connection with the development of nanotechnologies and their introduction into various industries. The properties of gas required for modeling are expressed in the form of a set of macroparameters, including kinetic coefficients, parameters of the equation of state, and values of kinetic, potential, total, and internal energies. The study was performed for such technical gases as argon, hydrogen, nitrogen and methane at a pressure of 1 atm, in the temperature range of 100–400 K. The obtained calculated data on the macroparameters of gases are in good agreement with the known theoretical estimates and experimental data.

Keywords: molecular dynamics, macroparameters of gas medium, technical gases, argon, nitrogen, hydrogen, methane.

Funding Agency Grant Number
Russian Science Foundation 17-71-10045


DOI: https://doi.org/10.1134/S0234087919080033

Full text: PDF file (604 kB)
References: PDF file   HTML file

Received: 13.02.2019
Revised: 13.02.2019
Accepted:08.04.2019

Citation: V. O. Podryga, E. V. Vikhrov, S. V. Polyakov, “Molecular dynamic calculation of technical gases macroparameters on example of argon, nitrogen, hydrogen and methane”, Matem. Mod., 31:8 (2019), 44–60

Citation in format AMSBIB
\Bibitem{PodVikPol19}
\by V.~O.~Podryga, E.~V.~Vikhrov, S.~V.~Polyakov
\paper Molecular dynamic calculation of technical gases macroparameters on example of argon, nitrogen, hydrogen and methane
\jour Matem. Mod.
\yr 2019
\vol 31
\issue 8
\pages 44--60
\mathnet{http://mi.mathnet.ru/mm4102}
\crossref{https://doi.org/10.1134/S0234087919080033}
\elib{https://elibrary.ru/item.asp?id=38487767}


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    Citing articles on Google Scholar: Russian citations, English citations
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    This publication is cited in the following articles:
    1. S. V. Polyakov, V. O. Podryga, “Ob odnom algoritme rascheta dvizhenii molekul dvukhatomnykh gazov”, Matem. modelirovanie, 33:1 (2021), 53–62  mathnet  crossref
  • Математическое моделирование
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