Vibrational relaxation of carbon dioxide in state-to-state and multi-temperature approaches

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Vibrational relaxation of carbon dioxide in state-to-state and multi-temperature approaches. / Кунова, Ольга Владимировна; Косарева, Алёна Александровна; Кустова, Елена Владимировна ; Нагнибеда, Екатерина Алексеевна.

в: Physical Review Fluids, Том 5, № 12, 123401, 02.12.2020.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

BibTeX

@article{0da9db5a8c714e839bc2eb5a82da3001,

title = "Vibrational relaxation of carbon dioxide in state-to-state and multi-temperature approaches",

abstract = "Vibrational relaxation of single-component carbon dioxide is studied using the full and reduced state-to-state models and two multi-temperature approaches. The full kinetic scheme including all vibrational states and different kinds of vibrational energy transitions within and between CO2 modes is proposed and implemented to the 0-D code for spatially homogeneous relaxation. Contributions of various energy transitions are evaluated, and dominating relaxation mechanisms are identified for two generic test cases corresponding to compression (excitation) and expansion (deactivation) regimes. It is shown that the main relaxation channels are vibrational-translation (VT) transitions in the symmetric and bending modes and two intermode vibrational-vibrational (VV) exchanges. Reduced-order models are assessed by comparisons with the results of full state-to-state simulations. The commonly used two-temperature model with the single vibrational temperature fails to describe the relaxation for all considered initial conditions. The three-temperature model provides a good agreement with the state-to-state simulations for the excitation regime, but yields a considerable discrepancy for the deactivation mode. The sources of the discrepancies are detected and several ways for the improvement of numerically efficient multi-temperature models are proposed.",

author = "Кунова, {Ольга Владимировна} and Косарева, {Алёна Александровна} and Кустова, {Елена Владимировна} and Нагнибеда, {Екатерина Алексеевна}",

note = "Publisher Copyright: {\textcopyright} 2020 American Physical Society.",

year = "2020",

month = dec,

day = "2",

doi = "10.1103/PhysRevFluids.5.123401",

language = "English",

volume = "5",

journal = "Physical Review Fluids",

issn = "2469-990X",

publisher = "American Physical Society",

number = "12",

}

RIS

TY - JOUR

T1 - Vibrational relaxation of carbon dioxide in state-to-state and multi-temperature approaches

AU - Кунова, Ольга Владимировна

AU - Косарева, Алёна Александровна

AU - Кустова, Елена Владимировна

AU - Нагнибеда, Екатерина Алексеевна

PY - 2020/12/2

Y1 - 2020/12/2

N2 - Vibrational relaxation of single-component carbon dioxide is studied using the full and reduced state-to-state models and two multi-temperature approaches. The full kinetic scheme including all vibrational states and different kinds of vibrational energy transitions within and between CO2 modes is proposed and implemented to the 0-D code for spatially homogeneous relaxation. Contributions of various energy transitions are evaluated, and dominating relaxation mechanisms are identified for two generic test cases corresponding to compression (excitation) and expansion (deactivation) regimes. It is shown that the main relaxation channels are vibrational-translation (VT) transitions in the symmetric and bending modes and two intermode vibrational-vibrational (VV) exchanges. Reduced-order models are assessed by comparisons with the results of full state-to-state simulations. The commonly used two-temperature model with the single vibrational temperature fails to describe the relaxation for all considered initial conditions. The three-temperature model provides a good agreement with the state-to-state simulations for the excitation regime, but yields a considerable discrepancy for the deactivation mode. The sources of the discrepancies are detected and several ways for the improvement of numerically efficient multi-temperature models are proposed.

AB - Vibrational relaxation of single-component carbon dioxide is studied using the full and reduced state-to-state models and two multi-temperature approaches. The full kinetic scheme including all vibrational states and different kinds of vibrational energy transitions within and between CO2 modes is proposed and implemented to the 0-D code for spatially homogeneous relaxation. Contributions of various energy transitions are evaluated, and dominating relaxation mechanisms are identified for two generic test cases corresponding to compression (excitation) and expansion (deactivation) regimes. It is shown that the main relaxation channels are vibrational-translation (VT) transitions in the symmetric and bending modes and two intermode vibrational-vibrational (VV) exchanges. Reduced-order models are assessed by comparisons with the results of full state-to-state simulations. The commonly used two-temperature model with the single vibrational temperature fails to describe the relaxation for all considered initial conditions. The three-temperature model provides a good agreement with the state-to-state simulations for the excitation regime, but yields a considerable discrepancy for the deactivation mode. The sources of the discrepancies are detected and several ways for the improvement of numerically efficient multi-temperature models are proposed.

UR - http://www.scopus.com/inward/record.url?scp=85097572819&partnerID=8YFLogxK

U2 - 10.1103/PhysRevFluids.5.123401

DO - 10.1103/PhysRevFluids.5.123401

M3 - Article

VL - 5

JO - Physical Review Fluids

JF - Physical Review Fluids

SN - 2469-990X

IS - 12

M1 - 123401

ER -

ID: 71311239