Standard

Calculation of Vibrational Relaxation Times Using a Kinetic Theory Approach. / Oblapenko, G. P.

In: Journal of Physical Chemistry A, Vol. 122, No. 50, 20.12.2018, p. 9615-9625.

Research output: Contribution to journal › Article › peer-review

Harvard

Oblapenko, GP 2018, 'Calculation of Vibrational Relaxation Times Using a Kinetic Theory Approach', Journal of Physical Chemistry A, vol. 122, no. 50, pp. 9615-9625. https://doi.org/10.1021/acs.jpca.8b09897

APA

Oblapenko, G. P. (2018). Calculation of Vibrational Relaxation Times Using a Kinetic Theory Approach. Journal of Physical Chemistry A, 122(50), 9615-9625. https://doi.org/10.1021/acs.jpca.8b09897

Vancouver

Oblapenko GP. Calculation of Vibrational Relaxation Times Using a Kinetic Theory Approach. Journal of Physical Chemistry A. 2018 Dec 20;122(50):9615-9625. https://doi.org/10.1021/acs.jpca.8b09897

Author

Oblapenko, G. P. / Calculation of Vibrational Relaxation Times Using a Kinetic Theory Approach. In: Journal of Physical Chemistry A. 2018 ; Vol. 122, No. 50. pp. 9615-9625.

BibTeX

@article{b1e827a52dae4915b5c2b0798bb69ad3,
title = "Calculation of Vibrational Relaxation Times Using a Kinetic Theory Approach",
abstract = " In the present work, a method for computation of vibrational relaxation times based on a kinetic theory definition is utilized to calculate vibrational relaxation times of molecules present in air (N 2 , O 2 , and NO) in collisions with air species particles. An overview of available experiment VT relaxation time measurements, as well as quasi-classical trajectory (QCT) calculation results, and various empirical models, is given. Different inelastic cross-section models are used for the computation of the relaxation times, and their parameters are adjusted to fit the available experimental data and QCT results. It is shown that the proposed method of calculation can give a quantitative and qualitative agreement with the available data in a wide range of temperatures; the obtained interaction parameters may be used not only for vibrational relaxation time calculation within a multitemperature framework but also for development of state-specific models for use in CFD and DSMC codes. ",
author = "Oblapenko, {G. P.}",
note = "Funding Information: This work has been supported by the Russian Foundation of Basic Research, Project No. 18-01-00493. The author would also express his gratitude to Prof. E. V. Kustova of the Saint-Petersburg State University for helpful discussions and advice. Publisher Copyright: {\textcopyright} Copyright 2018 American Chemical Society. Copyright: Copyright 2019 Elsevier B.V., All rights reserved.",
year = "2018",
month = dec,
day = "20",
doi = "10.1021/acs.jpca.8b09897",
language = "English",
volume = "122",
pages = "9615--9625",
journal = "Journal of Physical Chemistry B",
issn = "1520-6106",
publisher = "American Chemical Society",
number = "50",

}

RIS

TY - JOUR

T1 - Calculation of Vibrational Relaxation Times Using a Kinetic Theory Approach

AU - Oblapenko, G. P.

N1 - Funding Information: This work has been supported by the Russian Foundation of Basic Research, Project No. 18-01-00493. The author would also express his gratitude to Prof. E. V. Kustova of the Saint-Petersburg State University for helpful discussions and advice. Publisher Copyright: © Copyright 2018 American Chemical Society. Copyright: Copyright 2019 Elsevier B.V., All rights reserved.

PY - 2018/12/20

Y1 - 2018/12/20

N2 - In the present work, a method for computation of vibrational relaxation times based on a kinetic theory definition is utilized to calculate vibrational relaxation times of molecules present in air (N 2 , O 2 , and NO) in collisions with air species particles. An overview of available experiment VT relaxation time measurements, as well as quasi-classical trajectory (QCT) calculation results, and various empirical models, is given. Different inelastic cross-section models are used for the computation of the relaxation times, and their parameters are adjusted to fit the available experimental data and QCT results. It is shown that the proposed method of calculation can give a quantitative and qualitative agreement with the available data in a wide range of temperatures; the obtained interaction parameters may be used not only for vibrational relaxation time calculation within a multitemperature framework but also for development of state-specific models for use in CFD and DSMC codes.

AB - In the present work, a method for computation of vibrational relaxation times based on a kinetic theory definition is utilized to calculate vibrational relaxation times of molecules present in air (N 2 , O 2 , and NO) in collisions with air species particles. An overview of available experiment VT relaxation time measurements, as well as quasi-classical trajectory (QCT) calculation results, and various empirical models, is given. Different inelastic cross-section models are used for the computation of the relaxation times, and their parameters are adjusted to fit the available experimental data and QCT results. It is shown that the proposed method of calculation can give a quantitative and qualitative agreement with the available data in a wide range of temperatures; the obtained interaction parameters may be used not only for vibrational relaxation time calculation within a multitemperature framework but also for development of state-specific models for use in CFD and DSMC codes.

UR - http://www.scopus.com/inward/record.url?scp=85058500421&partnerID=8YFLogxK

U2 - 10.1021/acs.jpca.8b09897

DO - 10.1021/acs.jpca.8b09897

M3 - Article

C2 - 30482021

AN - SCOPUS:85058500421

VL - 122

SP - 9615

EP - 9625

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

SN - 1520-6106

IS - 50

ER -

ID: 39807495