# I. Armenise's research while affiliated with Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali and other places

**What is this page?**

This page lists the scientific contributions of an author, who either does not have a ResearchGate profile, or has not yet added these contributions to their profile.

It was automatically created by ResearchGate to create a record of this author's body of work. We create such pages to advance our goal of creating and maintaining the most comprehensive scientific repository possible. In doing so, we process publicly available (personal) data relating to the author as a member of the scientific community.

If you're a ResearchGate member, you can follow this page to keep up with this author's work.

If you are this author, and you don't want us to display this page anymore, please let us know.

It was automatically created by ResearchGate to create a record of this author's body of work. We create such pages to advance our goal of creating and maintaining the most comprehensive scientific repository possible. In doing so, we process publicly available (personal) data relating to the author as a member of the scientific community.

If you're a ResearchGate member, you can follow this page to keep up with this author's work.

If you are this author, and you don't want us to display this page anymore, please let us know.

## Publications (66)

In this study, we develop and assess a new approach to modeling slip boundary conditions in gas mixtures with coupled state-to-state vibrational-chemical kinetics and surface physical and chemical processes: adsorption, desorption, vibrational energy transitions, and chemical reactions. Expressions for velocity slip, temperature jump, and mass flux...

Numerous applications have required the study of CO2 plasmas since the 1960s, from CO2 lasers to spacecraft heat shields. However, in recent years, intense research activities on the subject have restarted because of environmental problems associated with CO2 emissions. The present review provides a synthesis of the current state of knowledge on th...

The reactive, inelastic and dissociation vibrationally-detailed rate coefficients of the N+O2 collision processes, previously calculated by means of a QCT method, have been interpolated as a function of the initial and final vibrational levels and of the temperature, in the range 1000 - 20000 K. These rates have been implemented in a N2/N/O2/O/NO m...

Collisions of atomic nitrogen with molecular oxygen have been treated with the quasiclassical trajectory method (QCT) in order to obtain a complete database of vibrationally detailed cross sections and rate coefficients for reactive, inelastic, and dissociation processes. For reaction rate coefficients, the agreement with experimental and theoretic...

State-resolved chemical reactions in CO2 are studied taking into account excitation of all vibrational modes as well as preferential reaction mechanism. The effect of several parameters on the reaction rate coefficients is discussed; it is shown that the non-equilibrium factor in the expression for the rate coefficients of exchange reactions is muc...

The effect of various vibrational transitions on the formation of non-equilibrium distributions, rates of vibrational relaxation and chemical reactions, and fluid dynamics in CO2 flows is discussed. Several state-resolved models are applied: the most detailed model taking into account all kinds of vibrational energy exchanges and coupling of CO2 vi...

Coupled state-to-state vibrational-chemical kinetics, gas dynamics and heat transfer in the five-component mixture of dissociated CO2 are studied using the complete three-mode kinetic model and the reduced scheme involving mainly the vibrational states of the asymmetric mode. The emphasis is on the effect of asymmetric vibrations on the rate of dis...

A complete vibrational state-specific kinetic scheme describing dissociating carbon dioxide mixtures is proposed. CO2 symmetric, bending and asymmetric vibrations and dissociation-recombination are strongly coupled through inter-mode vibrational energy transfers. Comparative study of state-resolved rate coefficients is carried out; the effect of di...

We report the results of detailed calculations of reactive, inelastic and dissociative processes in collisions of atomic oxygen with molecular nitrogen in their respective electronic ground states. Cross sections are calculated as a function of collision energy in the range 0.001-10eV, considering the whole rovibrational ladder. Some problems relat...

The state-to-state vibrational kinetics of a CO2/O2/CO/C/O/e⁻ mixture in a hypersonic boundary layer under conditions compatible with the Mars re-entry is studied. The model adopted treats three CO2 modes (the two degenerated bending modes are approximated as a unique one) as not independent ones. Vibrational-translational transitions in the bendin...

Kinetics and heat transfer in a CO2/CO/O2/O/C mixture in a hypersonic boundary layer is studied using a state-to-state vibrational-chemical kinetic model. The CO2 molecule is detailed in its symmetric stretching, bending and asymmetric stretching modes, which are strongly coupled through inter-mode vibrational energy transfers. Two sets of rate coe...

The modeling of atmospheric gas, interacting with the space vehicles in re-entry conditions in planetary exploration missions, requires a large set of scattering data for all those elementary processes occurring in the system. A fundamental aspect of re-entry problems is represented by the strong non-equilibrium conditions met in the atmospheric pl...

The paper presents a comparative study of vibrational-chemical kinetics and heat transfer in carbon dioxide flows under Mars entry conditions for two classes of models: the state-to-state and multitemperature models. The state-to-state approach treats each vibrational state of a molecule as a separate chemical species, thus providing a very detaile...

In the present paper, detailed state-to-state model of vibrational-chemical kinetic and transport processes is applied to study fluid dynamics and heat transfer in a non-equilibrium flow of a five-component mixture containing
CO
2
molecules and products of their dissociation near the surface of the Mars Sample Return Orbiter. For several test c...

From a large survey of the available flight and experimental data related to Mars missions and projects developed in Europe, the USA and Russia (including former USSR), an experimental test case has been selected. Its reconstruction aims to test different thermochemical and transport models. The experimental test chosen has been conducted in the HY...

The NO formation in a hypersonic boundary layer is investigated by solving a numerical code that couples fluid dynamics and state-to-state vibrational kinetics. An N2/N/O2/O/NO mixture is considered to simulate the space vehicle Earth re-entry problem. Two new sets of state-to-state rate coefficients of the processes O + N2(v) ↔ NO(w) + N and N + O...

The paper deals with kinetic theory methods modelling of reacting gas flows near spacecrafts entering the Mars atmosphere. For mixtures containing CO2 molecules, the complete kinetic scheme including all vibrational energy transitions, dissociation, recombination and exchange chemical reactions is proposed. For the prediction of gas dynamic paramet...

In the present chapter some prototype gas and gas-surface processes occurring within the hypersonic flow layer surrounding spacecrafts at planetary entry are discussed. The discussion is based on microscopic dynamical calculations of the detailed cross sections and rate coefficients performed using classical mechanics treatments for atoms, molecule...

State-to-state vibrational kinetics and transport models of a mixture containing triatomic CO2 molecules are developed. The models are implemented into a hypersonic boundary layer solver specially upgraded for this purpose. Although at the moment only vibrational–translational transitions in the bending mode (VT2), inter-mode exchanges within CO2 m...

In the present paper, state-to-state model of vibrational-chemical kinetic and transport processes is applied to study heat and mass transfer in non-equilibrium flows of CO2 and air mixtures under atmospheric entry conditions. Different contributions to the heat flux typical for the state-to-state approach are considered: fluxes due to heat conduct...

State-to-state vibrational kinetics and transport properties of a
mixture containing carbon dioxide molecules are studied. Theoretical
models are developed and implemented in a hypersonic boundary layer
solver. Various vibrational relaxation channels are considered, and the
influence of complex kinetic processes on the flow parameters and heat
flux...

Thermal non-equilibrium plasmas have been deeply investigated theoretically by means of the state-to-state approach, offering the unique opportunity of a detailed information about internal distributions affecting thermodynamics, transport coefficients and kinetics, properly accounting for the presence of excited states. The efforts made in the con...

A recent complete set of oxygen atom–molecule collision rate coefficients, calculated by means of a quasiclassical trajectory (QCT) method, has been used to evaluate the vibrational non-equilibrium in hypersonic boundary layer flows. The importance of multiquanta transitions has been demonstrated. Moreover a new ‘direct dissociation–recombination’...

We present the quantum mechanical (QM) and quasiclassical trajectory (QCT) dynamics of the title reaction on two uncoupled surfaces, using a wavepacket (WP) method and considering some N2(v, j) vibrational and rotational states. The reaction is investigated by calculating initial-state-resolved reaction probabilities, cross sections, and rate const...

In the inner part of the dissociated boundary layer of hypersonic bodies, a vibrational freezing zone has been observed. This freezing region takes place even if, in the outer part of the boundary layer, translation and vibration temperatures are in equilibrium and even if the surface is catalytic. This phenomenon can be attributed to the diffusion...

Diffusive q(wree), and Fourier q(F), components of heat transfer in hypersonic nitrogen flows are discussed. Three models of partially catalytic surfaces differing on the vibrational level(s) pumped by the heterogeneous recombination process are proposed: the ground vibrational state model, the last vibrational state model, and the diffuse vibratio...

In the inner part of the dissociated boundary layer around various
bodies in hypersonic flow regime, a vibrational freezing zone has been
observed. This freezing region takes place even if , in the outer part
of the boundary layer, translation and vibration temperatures are in
equilibrium and even if the wall may be considered as catalytic. This
ph...

A complete set of V–T (vibration–translation) relaxation rates and of dissociation coefficients for the system O–O2 have been obtained by using quasiclassical trajectories on the Varandas and Pais potential energy surface. The results, averaged on a Boltzmann rotational distribution, cover the whole range of the vibrational ladder and are reproduce...

A recent complete set of nitrogen atom–molecule collision cross sections has been used to evaluate the dissociation–recombination kinetics in hypersonic boundary layer flows. The results show strong differences of the present approach with the corresponding results obtained by extrapolation of bound-to-bound transitions to the continuum (i.e. the s...

State-to-state approaches are used to shed light on (a) thermodynamic and transport properties of LTE plasmas, (b) atomic and molecular plasmas for aerospace applications and (c)RF sustained parallel plate reactors. The efforts made by the group of Bari in the kinetics and dynamics of electrons and molecular species are discussed from the point of...

Interpolation formulas are presented to reproduce the rate coefficients for vibrational-translational energy exchange and dissociation for the N + N-2 collision process. The original data have been obtained by quasiclassical method in a detailed way, including the effect of molecular rotation. The fitting procedure results are compared with origina...

The state-to-state chemical kinetic model, which considers a kinetic equation for each vibrational state of diatomic molecules, has been applied to some supersonic flow regimes and in particular in boundary layer, nozzle expansion, and shock wave. Nonequilibrium vibrational distribution obtained in the calculations shows strong departure from equil...

The state to state chemical kinetic model, which considers a kinetic equation for each vibrational state of diatomic model, has been applied to some supersonic flow regimes and in particular in boundary layer, nozzle expansion and shock wave. Non equilibrium vibrational distribution obtained in the calculations shows strong departure from equilibri...

Both gas-phase kinetic processes and heterogeneous surface processes assume an important role in affecting the flow field in the boundary layer of re-entry vehicles. In this work a N2, N, O2, O, NO mixture hitting either a non-catalytic surface or a SiO2 partially catalytic one has been theoretically analysed. Vibrational distributions far from equ...

In the present work, starting from classical MHD scheme, based on Maxwell equations, Euler fluid dynamic
equations and generalised Ohm law, a critical study of fluid dynamics,
electromagnetism, chemical and physical behaviour of plasma is carried out, and then a aircraft re‐entry MHD numerical scheme is implemented. This scheme is used for MHD ca...

State-to-state vibrational-chemical kinetics and transport phenomena in a five-component air mixture flow in the vicinity of the stagnation point are investigated. The effect of different physical-chemical processes and surface catalycity on the vibrational distributions, flow parameters and heat flux is discussed.

The interaction of dissociating oxygen and air on SiO 2 in the boundary layer on different structures was discussed. In oxygen the state-selected rates of recombination of atomic species on SiO 2 surfaces into vibrationally excited molecules in gas phase were obtained by molecular dynamic approach. The one-dimensional boundary-layer was implemented...

Non-equilibrium vibrational-chemical kinetics and heat transfer in an O2/O mixture near a silica surface are studied using the state-to-state approach. The effect of non-equilibrium kinetics and surface catalysis on the total heat flux and averaged dissociation rate coefficients is examined. The contribution of thermal conductivity, thermal and mas...

Nonequilibrium vibrational-chemical kinetics and heat transfer in an O(2)/O mixture near the surface of a space vehicle under reentry conditions are studied. Vibration-translation, vibration-vibration energy exchange, dissociation-recombination processes in the gas phase as well as heterogeneous recombination, dissociation, and deactivation of vibr...

The effects of a SiO(2) partially catalytic surface on the nonequilibrium chemical and vibrational kinetics of a five-species (N, N(2), O, O(2), NO) air mixture in the boundary layer of hypersonic reentry vehicles have been investigated. To this aim, boundary-layer equations coupled to vibrational master equations have been solved. The surface atom...

The effects of a SiO2 partially catalytic surface on the non-equilibrium chemical and vibrational kinetics of a five species (N, N2, O, O2, NO) air mixture in the boundary layer of hypersonic re-entry vehicles have been investigated. To this aim boundary layer equations coupled to vibrational master equations have been solved. The surface atomic re...

The importance of a silica surface in affecting both the state-to state kinetics and the macroscopic properties of an O(2)/O mixture hitting a blunt body at hypersonic speed has been investigated. First, the surface has been considered catalytic only for recombination: three different assumptions are examined and compared with the results from a no...

The heat transfer and diffusion near the surface of a space vehicle under re-entry conditions are studied on the basis of the kinetic theory of gases. The influence of the nonequilibrium kinetics in an (N-2, N) mixture on the transport properties of the now is investigated. The nonequilibrium vibrational distributions in the boundary layer near the...

A ladder-climbing model including V-V (vibration-vibration) and V-T (vibration-translation) energy exchange processes linked to state-to-state dissociation-recombination kinetics has been developed and inserted in the fluid dynamics equations, describing the boundary layer surrounding a noncatalytic surface hit by a hypersonic flow of atomic and vi...

A state-to-state vibrational kinetics for air components including recombination-dissociation processes as well as the formation of NO through the reaction between vibrationally excited nitrogen molecules and atomic oxygen has been inserted in a monodimensional fluid dynamic code, describing the boundary layer surrounding a body under re-entry cond...

The results of a numerical study aimed to verify the accuracy of the thermodynamic models based on the Boltzmann distribution in the hypersonic regime and to detect discrepancies, if any, with the analysis based on the more rigorous method of vibrational kinetics are presented and discussed. The test case considered in the study is the steady, two-...

Nonequilibrium vibrational distributions of N-2 in the boundary layer surrounding a blunt body in hypersonic flow have been calculated by coupling the nonequilibrium vibrational kinetics, the dissociation and recombination processes, and the boundary-layer equations, The role of different energy exchange processes [vibration-vibration (V-V), vibrat...

In numerical simulation of subsonic and supersonic flows thermodynamic models built on the Boltzmann distribution are widely used. In these models the population distributions of the quantum states associated with each independent molecular degree of freedom follow a Boltzmann distribution and the major benefit deriving from this hypothesis is that...

A ladder climbing model including V-V (vibration-vibration), V-T (vibration-translation) energy exchange processes linked to a dissociation recombination kinetics has been developed and inserted in the fluid dynamics equations describing the boundary layer surrounding a non-catalitic surface hilted by an hypersonic flow of atomic and vibrationally...

Nonequilibrium nitrogen dissociation-recombination kinetics in the boundary layer and on the surface of a solid body during hypersonic flow. the subsequent relaxation of the released energy, and their influence on the surface heat flux have been investigated by numerical simulations. It is shown that the homogeneous (in the gas phase) and heterogen...

Global (reactive+non-reactive) quasiclassical state-specific rate coefficients for the vibrational excitation and deexcitation of nitrogen molecules by collision with nitrogen atoms have been used to model a reacting flow. The one-dimensional model used describes the relaxation of N2 vibrational distributions in the boundary layer surrounding a shu...

The non-equilibrium vibrational distribution and the dissociation kinetics of N2 in electrical discharges has been calculated by solving an appropriate vibrational master equation. Attention has been devoted to the role of nitrogen atoms in deactivation the vibrational distribution. To this end, a complete set of V—T (vibration—translation) deactiv...

## Citations

... [8][9][10][11] Further applications of C/C composites are mainly restricted by incomplete knowledge of the gas-surface interactions, which consist of complex physico-chemical processes including sublimation, oxidation, nitridation, and catalysis. [12][13][14][15][16][17][18] For the first three reaction types, 5 reactions occur between the flow particles and C/C surface. Products from these reactions couple to the chemically reactive boundary layer, forming a mutually interactive dynamic interface. ...

... This vibrational induced dissociation process has a maximum threshold energy of 5.5 eV, lower than the threshold values of the dissociation cross sections by electron impact, increasing the energy efficiency of CO 2 dissociation. For this reason, a strong interest in the scientific community has been channeled towards the investigation of the conditions in which vibrational excitation can be maximized in non-equilibrium plasma discharges for a more energy efficient CO 2 dissociation [1]. ...

... the vibrational-translational, VT a , energy transitions due to the collisions between an atom and a molecule 60,[79][80][81][82] ...

... But, in all of these studies, the transport of suprathermal N atoms in the planetary upper atmosphere was not taken into account. Reaction (3) was extensively studied in both experimental (see, e.g., [39]) and theoretical (see, e.g., [40][41][42][43]) investigations. In the paper [44], the following value of 1.45 × 10 −16 T 1.6 × e −2894/T cm 3 molecule −1 s −1 at temperatures of 300-5000 K of the rate coefficient for reaction (3) was provided as an approximation of the experimental measurements and theoretical calculations. ...

... Another interesting approach is followed by Armenise and Kustova [27,[151][152][153], who have developed a state-to-state relaxation model which takes into account a more complete vibrational energy ladder for CO2, with several thousands of levels, to study the vibrational kinetics in the hypersonic boundary layer of reentering bodies in the Mars atmosphere. They recommend the use of the Treanor and Marrone model [154] allowing for dissociation from any vibrational state [155] and 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 A c c e p t e d M a n u s c r i p t suggest that the ladder climbing model based on the asymmetric vibrational mode significantly underpredicts the dissociation rate in Mars retry conditions. ...

... Another interesting approach is followed by Armenise and Kustova [27,[151][152][153], who have developed a state-to-state relaxation model which takes into account a more complete vibrational energy ladder for CO2, with several thousands of levels, to study the vibrational kinetics in the hypersonic boundary layer of reentering bodies in the Mars atmosphere. They recommend the use of the Treanor and Marrone model [154] allowing for dissociation from any vibrational state [155] and 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 A c c e p t e d M a n u s c r i p t suggest that the ladder climbing model based on the asymmetric vibrational mode significantly underpredicts the dissociation rate in Mars retry conditions. ...

... Depending mainly on the electron temperature [20], NTPs can selectively transfer energy from the electrons (gaining energy from the electric fied) to the heavy particles in the plasma to initiate certain chemical processes like the dissociation of CO2 with lower energy compared to conventional methods [21]. CO2 dissociation has been the focus of many studies, exploring electron-impact [22][23][24], vibrationally driven [19,[24][25][26][27] and thermal [28][29][30] dissociation routes. ...

... Also, these collisions are of particular interest to environmental chemistry and hypersonic flight regimes. Considering this importance, O( 3 P) + N 2 collisions have been studied experimentally and theoretically by several authors (Hong et al. 2021;Yokota et al. 2021;Balakrishnan et al. 1998a;Balakrishnan & Dalgarno 2003;Upschulte et al. 1992;Oakes et al. 1994;Walch & Jaffe 1987;Gilibert et al. 1992;Bose & Candler 1996;Koner et al. 2020;Esposito & Armenise 2017;Jo et al. 2022). Walch & Jaffe (1987) conducted CASSCF/CCI calculations using extensive Gaussian basis sets to examine certain segments of the potential energy surfaces associated with the Zeldovich mechanism, which involves the transformation of N 2 into NO. ...

... The vehicle surface must be cooled to limit the temperature in order to avoid damage, breakage and interior overheating. Therefore, in the proximity of the wall, due to diffusion and thermal conductivity, a boundary layer is formed, showing again non-equilibrium conditions [3][4][5]. Some materials cool the surface by ablation, introducing further complexity in the model [6]. ...

... Multitemperature models [1,2,4,5,6], although being able to capture the generic non-equilibrium effects, still fail to describe the flow domains where the distributions over internal states are far from the Boltzmann distribution. Under such conditions, implementation of state-to-state models provides much better accuracy [7,8,9,10,11,12,13,14,15]. The main issues in applying the state-to-state approach in aerothermodynamics of space vehicles are (1) high computational costs for the production terms calculation preventing the use of the state-to-state models in 2D and 3D flow simulations even for an inviscid Euler approximation; (2) complexity of the calculation of state-resolved transport coefficients, especially multi-component diffusion coefficients for each pair of vibrational states [16,17]. ...