State-to-state models for CO2 molecules: From the theory to an application to hypersonic boundary layers

Armenise, I.; Кустова, Е. В.

doi:10.1016/j.chemphys.2013.01.034

Cited by 95 publications

(100 citation statements)

References 26 publications

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“…Experimental data also show that the inter-mode exchange between CO 2 symmetric and bending modes (11) proceeds fast due to the Fermi resonance between the frequencies of these modes and can be considered as a rapid process along with the intra-mode energy exchanges. The remaining kinetic processes are slow and have relaxation times of the same order as the mean time of the gas-dynamic parameters variation.…”

Section: Multi-temperature Models For Co 2 Mixturesmentioning

confidence: 90%

“…The expressions for all production terms are given in [13]. The state-to-state transport theory for diatomic molecules was developed in [33] and generalized for polyatomic molecules in [10,11]. A particular feature of the heat transfer in the state-to-state approach is that the heat flux consists of four terms [34] …”

Section: State-to-state Description Of Vibrational-chemical Kineticsmentioning

confidence: 99%

“…where C p is the gas specific heat at constant pressure including, in the present model, only rotational and translational contributions, Le is the Lewis number, and the matrix B(υ,i) containing the kinetic terms is given in [11].…”

Section: State-to-state Description Of Vibrational-chemical Kineticsmentioning

confidence: 99%

“…The originality of the present paper is in comparison of non-equilibrium vibrational-chemical CO 2 kinetics and heat transfer evaluated on the basis of the state-to-state and multitemperature approximations. It is worth mentioning that the vibrational specific state-to-state mechanism for a carbon dioxide mixture has been developed in our previous work [11], and here it is applied for the specific test case. Existing multi-temperature 2D shock layer flow results [14,15], are used to define the boundary layer edge conditions for the state-to-state simulations performed in this study.…”

Section: Introductionmentioning

confidence: 99%

“…More rigorous multi-temperature [5][6][7][8][9] and state-to-state [10,11] models of CO 2 kinetics take into account real structure of carbon dioxide molecules and include to the kinetic scheme intra-and inter-mode vibrational energy exchanges as well as VT vibrational-translational energy transitions. Based on the rigorous kinetic theory algorithms proposed in [7,10], transport properties in dissociating CO 2 flows behind shock waves have been evaluated [9].…”

Section: Introductionmentioning

confidence: 99%

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Vibrational-Chemical Kinetics in Mars Entry Problems

Kustova¹,

Нагнибеда²,

Armenise³

2014

TOPPJ

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The paper deals with kinetic theory methods modelling of reacting gas flows near spacecrafts entering the Mars atmosphere. For mixtures containing CO 2 molecules, the complete kinetic scheme including all vibrational energy transitions, dissociation, recombination and exchange chemical reactions is proposed. For the prediction of gas dynamic parameters and heat transfer to the surface of a spacecraft, a detailed approach taking into account state-to-state CO 2 vibrational and chemical kinetics as well as multi-temperature approaches based on quasi-stationary vibrational distributions are used. A more accurate but complicated and time consuming state-to-state model is applied for the numerical simulation of a one-dimensional flow in a boundary layer near the entering body surface. More simple quasistationary three-temperature, two-temperature and one-temperature approaches are used for the numerical study of a 2-D viscous shock layer under entry conditions. The vibrational distributions near the surface are far from the local vibrational and chemical equilibrium and a noticeable difference is found between the values of CO 2 vibrational-specific energies at the surface obtained by means of the state-to-state and quasi-stationary approaches. At the same time, for all considered approaches, the kinetic model for vibrational distributions and chemical reactions has a weak influence on the heat transfer to the non-catalytic vehicle surface.

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Section: Multi-temperature Models For Co 2 Mixturesmentioning

confidence: 90%

Section: State-to-state Description Of Vibrational-chemical Kineticsmentioning

confidence: 99%

Section: State-to-state Description Of Vibrational-chemical Kineticsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Vibrational-Chemical Kinetics in Mars Entry Problems

Kustova¹,

Нагнибеда²,

Armenise³

2014

TOPPJ

Self Cite

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Energy transfer dynamics and kinetics of elementary processes (promoted) by gas‐phase CO₂‐N₂ collisions: Selectivity control by the anisotropy of the interaction

et al. 2016

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In this work, we exploit a new formulation of the potential energy and of the related computational procedures, which embodies the coupling between the intra and intermolecular components, to characterize possible propensities of the collision dynamics in energy transfer processes of interest for simulation and control of phenomena occurring in a variety of equilibrium and nonequilibrium environments. The investigation reported in the paper focuses on the prototype CO2 -N2 system, whose intramolecular component of the interaction is modeled in terms of a many body expansion while the intermolecular component is modeled in terms of a recently developed bonds-as-interacting-molecular-centers' approach. The main advantage of this formulation of the potential energy surface is that of being (a) truly full dimensional (i.e., all the variations of the coordinates associated with the molecular vibrations and rotations on the geometrical and electronic structure of the monomers, are explicitly taken into account without freezing any bonds or angles), (b) more flexible than other usual formulations of the interaction and (c) well suited for fitting procedures better adhering to accurate ab initio data and sensitive to experimental arrangement dependent information. Specific attention has been given to the fact that a variation of vibrational and rotational energy has a higher (both qualitative and quantitative) impact on the energy transfer when a more accurate formulation of the intermolecular interaction (with respect to that obtained when using rigid monomers) is adopted. This makes the potential energy surface better suited for the kinetic modeling of gaseous mixtures in plasma, combustion and atmospheric chemistry computational applications. © 2016 Wiley Periodicals, Inc.

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Coupling of Plasma Chemistry, Vibrational Kinetics, Collisional‐Radiative Models and Electron Energy Distribution Function Under Non‐Equilibrium Conditions

Capitelli

Colonna

D’Ammando

et al. 2016

Plasma Processes & Polymers

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The coupling between the electron energy distribution function (eedf) and the kinetics of vibrationally and electronically excited states is discussed. The first case study concerns the role of heterogeneous recombination in affecting the concentration of atomic hydrogen in RF plasmas, with consequences on eedf and negative ion formation. The coupling of eedf and a collisional‐radiative model for atomic hydrogen is discussed for optically thin and thick plasmas, finding large differences in the creation of eedf plateaux. The last case study deals with a self‐consistent coupling of eedf and kinetics of vibrationally and electronically excited states in CO2 cold plasmas emphasizing the role of pure vibrational mechanisms in the dissociation of CO2.

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State-to-state models for CO2 molecules: From the theory to an application to hypersonic boundary layers

Cited by 95 publications

References 26 publications

Vibrational-Chemical Kinetics in Mars Entry Problems

Vibrational-Chemical Kinetics in Mars Entry Problems

Energy transfer dynamics and kinetics of elementary processes (promoted) by gas‐phase CO₂‐N₂ collisions: Selectivity control by the anisotropy of the interaction

Coupling of Plasma Chemistry, Vibrational Kinetics, Collisional‐Radiative Models and Electron Energy Distribution Function Under Non‐Equilibrium Conditions

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State-to-state models for CO2 molecules: From the theory to an application to hypersonic boundary layers

Cited by 95 publications

References 26 publications

Vibrational-Chemical Kinetics in Mars Entry Problems

Vibrational-Chemical Kinetics in Mars Entry Problems

Energy transfer dynamics and kinetics of elementary processes (promoted) by gas‐phase CO2‐N2 collisions: Selectivity control by the anisotropy of the interaction

Coupling of Plasma Chemistry, Vibrational Kinetics, Collisional‐Radiative Models and Electron Energy Distribution Function Under Non‐Equilibrium Conditions

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Energy transfer dynamics and kinetics of elementary processes (promoted) by gas‐phase CO₂‐N₂ collisions: Selectivity control by the anisotropy of the interaction