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Generalized Treanor–Marrone model for state-specific dissociation rate coefficients. / Kunova, O.; Kustova, E.; Savelev, A.

In: Chemical Physics Letters, Vol. 659, 2016, p. 80-87.

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Harvard

Kunova, O, Kustova, E & Savelev, A 2016, 'Generalized Treanor–Marrone model for state-specific dissociation rate coefficients', Chemical Physics Letters, vol. 659, pp. 80-87. https://doi.org/10.1016/j.cplett.2016.07.006

APA

Kunova, O., Kustova, E., & Savelev, A. (2016). Generalized Treanor–Marrone model for state-specific dissociation rate coefficients. Chemical Physics Letters, 659, 80-87. https://doi.org/10.1016/j.cplett.2016.07.006

Vancouver

Kunova O, Kustova E, Savelev A. Generalized Treanor–Marrone model for state-specific dissociation rate coefficients. Chemical Physics Letters. 2016;659:80-87. https://doi.org/10.1016/j.cplett.2016.07.006

Author

Kunova, O. ; Kustova, E. ; Savelev, A. / Generalized Treanor–Marrone model for state-specific dissociation rate coefficients. In: Chemical Physics Letters. 2016 ; Vol. 659. pp. 80-87.

BibTeX

@article{dbe3f1ce5bb8449aab2f35e59d005e0b,
title = "Generalized Treanor–Marrone model for state-specific dissociation rate coefficients",
abstract = "{\textcopyright} 2016 Elsevier B.V.We propose a simple and accurate model for state-specific dissociation rate coefficients based on the widely used Treanor–Marrone model. It takes into account the dependence of its parameter on temperature and vibrational level and can be used with arbitrary vibrational ladder. The model is validated by comparisons with state-specific dissociation rate coefficients of O2 and N2 obtained using molecular dynamics, and its good accuracy is demonstrated. Non-equilibrium kinetics of O2/O and N2/N mixtures under heat bath conditions is studied; applying the optimized Treanor–Marrone model leads to more efficient dissociation and vibrational relaxation.",
author = "O. Kunova and E. Kustova and A. Savelev",
year = "2016",
doi = "10.1016/j.cplett.2016.07.006",
language = "English",
volume = "659",
pages = "80--87",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Generalized Treanor–Marrone model for state-specific dissociation rate coefficients

AU - Kunova, O.

AU - Kustova, E.

AU - Savelev, A.

PY - 2016

Y1 - 2016

N2 - © 2016 Elsevier B.V.We propose a simple and accurate model for state-specific dissociation rate coefficients based on the widely used Treanor–Marrone model. It takes into account the dependence of its parameter on temperature and vibrational level and can be used with arbitrary vibrational ladder. The model is validated by comparisons with state-specific dissociation rate coefficients of O2 and N2 obtained using molecular dynamics, and its good accuracy is demonstrated. Non-equilibrium kinetics of O2/O and N2/N mixtures under heat bath conditions is studied; applying the optimized Treanor–Marrone model leads to more efficient dissociation and vibrational relaxation.

AB - © 2016 Elsevier B.V.We propose a simple and accurate model for state-specific dissociation rate coefficients based on the widely used Treanor–Marrone model. It takes into account the dependence of its parameter on temperature and vibrational level and can be used with arbitrary vibrational ladder. The model is validated by comparisons with state-specific dissociation rate coefficients of O2 and N2 obtained using molecular dynamics, and its good accuracy is demonstrated. Non-equilibrium kinetics of O2/O and N2/N mixtures under heat bath conditions is studied; applying the optimized Treanor–Marrone model leads to more efficient dissociation and vibrational relaxation.

U2 - 10.1016/j.cplett.2016.07.006

DO - 10.1016/j.cplett.2016.07.006

M3 - Article

VL - 659

SP - 80

EP - 87

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

ER -

ID: 7927021