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PAINeT : An object-oriented software package for simulations of flow-field, transport coefficients and flux terms in non-equilibrium gas mixture flows. / Istomin, V. A.

In: AIP Conference Proceedings, Vol. 1959, 060006, 02.05.2018.

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@article{b53dd923a58e457abfc9e9fa657880cd,
title = "PAINeT: An object-oriented software package for simulations of flow-field, transport coefficients and flux terms in non-equilibrium gas mixture flows",
abstract = "The software package Planet Atmosphere Investigator of Non-equilibrium Thermodynamics (PAINeT) has been devel-oped for studying the non-equilibrium effects associated with electronic excitation, chemical reactions and ionization. These studies are necessary for modeling process in shock tubes, in high enthalpy flows, in nozzles or jet engines, in combustion and explosion processes, in modern plasma-chemical and laser technologies. The advantages and possibilities of the package implementation are stated. Within the framework of the package implementation, based on kinetic theory approximations (one-temperature and state-to-state approaches), calculations are carried out, and the limits of applicability of a simplified description of shock-heated air flows and any other mixtures chosen by the user are given. Using kinetic theory algorithms, a numerical calculation of the heat fluxes and relaxation terms can be performed, which is necessary for further comparison of engineering simulation with experi-mental data. The influence of state-to-state distributions over electronic energy levels on the coefficients of thermal conductivity, diffusion, heat fluxes and diffusion velocities of the components of various gas mixtures behind shock waves is studied. Using the software package the accuracy of different approximations of the kinetic theory of gases is estimated. As an example state-resolved atomic ionized mixture of N/N+/O/O+/e- is considered. It is shown that state-resolved diffusion coefficients of neutral and ionized species vary from level to level. Comparing results of engineering applications with those given by PAINeT, recommendations for adequate models selection are proposed.",
keywords = "SHOCK-WAVES, THERMOCHEMICAL NONEQUILIBRIUM, ELECTRONIC EXCITATION, NITROGEN, KINETICS",
author = "Istomin, {V. A.}",
year = "2018",
month = may,
day = "2",
doi = "10.1063/1.5034667",
language = "English",
volume = "1959",
journal = "AIP Conference Proceedings",
issn = "0094-243X",
publisher = "American Institute of Physics",
note = "International Scientific Conference on Mechanics - Eighth Polyakhov's Reading : 8th Polyakhov's Reading ; Conference date: 29-01-2018 Through 02-02-2018",
url = "https://events.spbu.ru/events/polyakhov_readings, http://nanomat.spbu.ru/en/node/175, http://nanomat.spbu.ru/ru/node/192, http://spbu.ru/news-events/calendar/viii-polyahovskie-chteniya",

}

RIS

TY - JOUR

T1 - PAINeT

T2 - International Scientific Conference on Mechanics - Eighth Polyakhov's Reading

AU - Istomin, V. A.

N1 - Conference code: 8

PY - 2018/5/2

Y1 - 2018/5/2

N2 - The software package Planet Atmosphere Investigator of Non-equilibrium Thermodynamics (PAINeT) has been devel-oped for studying the non-equilibrium effects associated with electronic excitation, chemical reactions and ionization. These studies are necessary for modeling process in shock tubes, in high enthalpy flows, in nozzles or jet engines, in combustion and explosion processes, in modern plasma-chemical and laser technologies. The advantages and possibilities of the package implementation are stated. Within the framework of the package implementation, based on kinetic theory approximations (one-temperature and state-to-state approaches), calculations are carried out, and the limits of applicability of a simplified description of shock-heated air flows and any other mixtures chosen by the user are given. Using kinetic theory algorithms, a numerical calculation of the heat fluxes and relaxation terms can be performed, which is necessary for further comparison of engineering simulation with experi-mental data. The influence of state-to-state distributions over electronic energy levels on the coefficients of thermal conductivity, diffusion, heat fluxes and diffusion velocities of the components of various gas mixtures behind shock waves is studied. Using the software package the accuracy of different approximations of the kinetic theory of gases is estimated. As an example state-resolved atomic ionized mixture of N/N+/O/O+/e- is considered. It is shown that state-resolved diffusion coefficients of neutral and ionized species vary from level to level. Comparing results of engineering applications with those given by PAINeT, recommendations for adequate models selection are proposed.

AB - The software package Planet Atmosphere Investigator of Non-equilibrium Thermodynamics (PAINeT) has been devel-oped for studying the non-equilibrium effects associated with electronic excitation, chemical reactions and ionization. These studies are necessary for modeling process in shock tubes, in high enthalpy flows, in nozzles or jet engines, in combustion and explosion processes, in modern plasma-chemical and laser technologies. The advantages and possibilities of the package implementation are stated. Within the framework of the package implementation, based on kinetic theory approximations (one-temperature and state-to-state approaches), calculations are carried out, and the limits of applicability of a simplified description of shock-heated air flows and any other mixtures chosen by the user are given. Using kinetic theory algorithms, a numerical calculation of the heat fluxes and relaxation terms can be performed, which is necessary for further comparison of engineering simulation with experi-mental data. The influence of state-to-state distributions over electronic energy levels on the coefficients of thermal conductivity, diffusion, heat fluxes and diffusion velocities of the components of various gas mixtures behind shock waves is studied. Using the software package the accuracy of different approximations of the kinetic theory of gases is estimated. As an example state-resolved atomic ionized mixture of N/N+/O/O+/e- is considered. It is shown that state-resolved diffusion coefficients of neutral and ionized species vary from level to level. Comparing results of engineering applications with those given by PAINeT, recommendations for adequate models selection are proposed.

KW - SHOCK-WAVES

KW - THERMOCHEMICAL NONEQUILIBRIUM

KW - ELECTRONIC EXCITATION

KW - NITROGEN

KW - KINETICS

UR - http://www.scopus.com/inward/record.url?scp=85047200797&partnerID=8YFLogxK

U2 - 10.1063/1.5034667

DO - 10.1063/1.5034667

M3 - Conference article

AN - SCOPUS:85047200797

VL - 1959

JO - AIP Conference Proceedings

JF - AIP Conference Proceedings

SN - 0094-243X

M1 - 060006

Y2 - 29 January 2018 through 2 February 2018

ER -

ID: 36759729