Structure cellulaire de la détonation des mélanges H2–NO2/N2O4Cellular structure of the detonation of gaseous mixtures H2–NO2/N2O4

Calculations of the detonation reaction zone of gaseous reactive mixtures of NO₂/N₂O₄ as oxidizer and H₂, CH₄ or C₂H₆ as fuel, in the range of equivalence ratio Φ between 0.5 and 2, show that, for Φ?1, the chemical energy is released in two distinct and successive exothermic steps with different chemical induction times. The first exothermic stage is mainly due to the reaction NO₂+H→NO+OH, NO being the main oxidizer of the second one.The experimental study conducted on the same range of equivalence ratio (0.5?Φ?2) shows that, for Φ?1, the detonation wave of these mixtures contains a double set of cellular structures. A similar result had already been obtained with the detonation of gaseous Nitromethane, the NO₂ group being here included in the molecule. Consequently, the oxidizer NO₂ being either initially separated from the fuel or included inside the molecule of a monopropellant (Nitromethane) is responsible, because of its specific chemical kinetics, of a chemical energy release in two main steps and of the existence of a double cellular structure in the detonation wave for the same range of equivalence ratio. These results reinforce the assumption that the cellular structure of the detonation finds its origin in the strong rates of chemical energy release inside the reaction zone. To cite this article: F. Joubert et al., C. R. Mecanique 331 (2003).     

Etude de la détonation de mélanges pauvres H2NO2/N2O4

Calculations of the detonation reaction zone of gaseous H₂NO₂/N₂O₄ mixtures in the range of equivalence ratio Φ between 0.25 and 0.7 show that for 0.25Φ0.4 the chemical energy is released in two distinct and successive exothermic steps characterised by different chemical characteristic times. As for rich mixtures, the first exothermic step is mainly due to the reaction NO₂ + H → NO + OH, but the second one is different since it results from the exothermic decomposition of NO into N₂ and O₂. For Φ=0.3 the measured detonation velocity in a tube of 52 mm internal diameter is very much smaller than the calculated value and the mean size of the cellular structure is very much larger than the value extrapolated from data obtained with mixtures of higher but close equivalence ratio. All these results show that the detonation, though self-sustained and steady, is ‘non-ideal’, i.e. it is supported only by a part of the available chemical energy, that provided mainly by the first exothermic step. To cite this article: D. Desbordes et al., C. R. Mecanique 332 (2004).     

Numerical study of a chemical method applied to instantaneous heat removal under high heat flux

In this study, a method of chemical cooling is put forward, that is, C–CO₂ endothermic reaction is applied to instantaneous heat removal under high heat flux. A method in which theoretical research is in combination with numerical simulation is used to study C–CO₂ endothermic reaction. In comparison with the theoretically computational results, numerical code is validated. A high heat flux of 500 W/cm² is applied to the research of the heat dissipation characteristics of C–CO₂ endothermic reaction. The theoretical calculation results show that, under a certain temperature and pressure condition, the C–CO₂ chemical endothermic reaction could remove heat from the system promptly; the product CO could be used as a supplementary medium of power source for cycling. Compared with water phase change, the C–CO₂ endothermic reaction appears to have stronger heat removal ability. “Species Transport” module in FLUENT was adopted to simulate the reaction. Under the same temperature and pressure condition, the numerical simulation results are found to be well congruous with theoretical results. The C–CO₂ endothermic reaction could make a high temperature in the reaction system due to a high heat flux reduce to a low temperature (below zero) promptly. The heat removal and reaction time are in consistence with theoretical calculation.     

Direct Numerical Simulation of a Gaussian acoustic wave interaction with a turbulent premixed flame

The interaction of a Gaussian negative pulse with a H₂/O₂/N₂ turbulent premixed flame is examined using Direct Numerical Simulation (DNS). Transport properties and chemical kinetics are described in a very detailed manner. An extended nonlinear local Rayleigh's criterion, for laminar as well as turbulent, premixed or nonpremixed flames, is proposed. Situations in which amplification or attenuation occur are listed. Calculations of a turbulent flame are then carried out with and without an acoustic wave and results are recorded at the same time. The influence of acoustic wave/turbulent flame interaction is obtained by a simple difference. It is shown that longitudinal and transverse velocity components are perturbed by the turbulent flame. Moreover, the vorticity induced by the acoustic wave is observed to be weak. Finally, Rayleigh's criterion shows that wave amplification occurs punctually. To cite this article: A. Laverdant, D. Thévenin, C. R. Mecanique 333 (2005).     

Facile biogenic selenium nanoparticle synthesis,characterization and effects on oxidative stress generated by UV in microalgae

Since nanoparticle synthesis via chemical and physical methods is expensive and includes hazardous chemicals, biosynthesis has emerged as an environmentally friendly, clean and viable alternative. The present study reports the synthesis of selenium nanoparticles (SeNPs) using Citricoccus sp.. For the production of SeNPs, the influence of some parameters (time, pH, temperature and stirring rate) was studied. Optimum synthesis conditions were found as pH 8, 24 h reaction time, 37 °C and 150 rpm. Synthesized particles were spherical and were 104.46 ± 50.82 nm with a zeta potential of –20.43 ± 0.41 mV. Afterward, the effects of the nanoparticles on oxidative stress biomarkers, hydrogen peroxide (H₂O₂), malondialdehyde (MDA), chlorophyll (a + b) and growth rate, subsequent to UV-C irradiation on Chlorella vulgaris were investigated. In culture contains nanoparticle and UV-C exposed, the amount of H₂O₂ and MDA decreased on the 1st, 3rd and 7th days following UV exposure compared to UV-applied group, while optical density and cell density increased, the amount of chlorophyll (a + b) changes were statistically similar. Consequently, it has been shown that the synthesized SeNPs alleviated the adverse effects of UV stress in microalgae.     

Modeling of multiple noncatalytic gas–solid reactions in a moving bed of porous pellets based on finite volume method

A mathematical model is presented to simulate the multiple heterogeneous reactions with complex set of physicochemical and thermal phenomena in a moving bed of porous pellets. This model is based on both heat and mass transfer phenomena of gaseous species in a porous medium including chemical reactions at interfaces whose areas vary during the conversion. This model accounts for both the exothermic and endothermic reactions which can be equimolar or nonequimolar. Furthermore it considers simultaneously the reactions in the nonisothermal transient condition. A powerful technique based upon finite volume fully implicit approach has been implemented to solve the complicated governing equations numerically. The model has been validated by comparing with various experimental and analytical results in two cases: the single pellet scale as well as the counter current moving bed reactor.

Possibility of the occurrence of dissociation reactions of multiatomic molecules during rapid cooling in an expanding supersonic stream

We investigate the possibility of the occurrence of the reaction involving the dissociation of N₂O and the exchange reaction N₂O+CON₂+CO₂ during rapid cooling of a gas mixture due to supersonic expansion in a nozzle. A numerical solution of the equations for the balance of vibrational energy and the kinetics of the chemical reactions under nonequilibrium conditions is given. We find the values of the parameters that are necessary for the experimental observation of the phenomena considered.Translated from Zhurnal Prikladnoi Mekhaniki i Tekhnicheskoi Fiziki, No. 2, pp. 48–53, March–April, 1973.     

Ignition of hydrogen in a turbulent boundary layer on a plate

The ignition of hydrogen blown into a turbulent supersonic boundary layer on a flat plate is investigated numerically. It is assumed that the mixture consists of six chemically active components H, O, OH, H₂O, O₂, H₂ and inert nitrogen N₂. The boundary layer is divided into outer and inner regions, for which different expressions for the coefficients of turbulent transport are used. The influence of pulsations on the rates of the chemical reactions, and also the back reaction of the chemical processes on the mechanism of turbulent transfer are not taken into account. The surface of the plate is assumed to be absolutely catalytic with respect to the recombination reactions of the H and O atoms. The influence of the blowing intensity, the Mach number in the outer flow, and the pressure on the ignition delay is analyzed. The possibility of effective porous cooling of the surface when there is combustion in the boundary layer is demonstrated.Translated from Izvestiya Akademii Nauk SSSR, Mekhanika Zhidkosti i Gaza, No. 6, pp. 33–40, November–December, 1979.I thank V. G. Gromov and V. A. Levin for their interest in the work.     

Comparison of different models for non-equilibrium CO2 flows in a shock layer near a blunt body

The paper presents results of a numerical simulation of a supersonic two-dimensional (2D) viscous flow containing CO₂ molecules near a spacecraft entering the Mars atmosphere. The gas–dynamic equations in the shock layer are coupled to the equations of non-equilibrium vibrational and chemical kinetics in the five-component mixture CO₂/CO/O₂/C/O. Transport and relaxation processes in the flow are studied on the basis of the rigorous kinetic theory methods; the developed transport algorithms are incorporated in the numerical scheme. The influence of the vibrational excitation of CO₂ and chemical reactions on the gas flow parameters and heat transfer is analyzed. The obtained results are compared with those found using two simplified models based on the two-temperature and one-temperature vibrational distributions in CO₂. The accuracy of the simplified models and the limits of their validity within the shock layer are evaluated. The effect of bulk viscosity in a flow near a re-entry body is discussed. The role of different diffusion processes, chemical reactions, and surface catalytic properties in a flow of the considered mixture in the shock layer is estimated.     

On the use of interaction tensors to describe and predict rod interactions in rod suspensions

Recently, Férec et al. (2009a) proposed a model for nondilute rod-like suspensions, where particle interactions are taking into account via a micromechanical approach. The derived governing equation used the well-known second- and fourth-order orientation tensors (a ₂ and a ₄ ) and novel second- and fourth-order interaction tensors (b ₂ and b ₄ ). To completely close the model, it is necessary to express a ₄ , b ₂ , and b ₄ in terms of a ₂ . This paper gives the general framework to elaborate these new relations. Firstly, approximations for b ₂ are developed based on linear combinations of a ₂ and a ₄ . Moreover, a new closure approximation is also derived for b ₄ , based on the orthotropic fitted closure approach. Unknown parameters are determined by a least-square fitting technique with assumed exact solutions constructed from the probability distribution function (PDF). As numerical solutions for the PDF are difficult to obtain given the nonlinearity of the problem, a combination of steady state solutions is used to generate PDF designed to cover uniformly the entire domain of possible orientations. All these proposed approximations are tested against the particle-based simulations in a variety of flow fields. Improvements of the different approximations are observed, and the couple iORW-CO4P3 gives efficient results.     

Features of nonequilibrium processes of titrogen oxide formation behind strong shock waves in air

The kinetics of NO and NO₂ of behind shock fronts propagating in air are analyzed. It is shown that in certain cases it is necessary to use fairly detailed chemical reaction schemes involving not only N₂, O₂, NO, N, and O, but also NO₂, N₂O, H₂, OH, and H and to take into account the mutual effects of vibrational relaxation and chemical transformations. It is established that neglecting the chemical processes involving NO₂ only can lead to significant errors in the length of the relaxation zone (up to 25 times), the gasdynamic parameters (up to 20%), and the NO concentration (up to 3 times). Moscow. Translated from Izvestiya Rossiiskoi Akademii Nauk, Mekhanika Zhidkosti i Gaza, No. 1, pp. 132–144, January–February, 1999. The work was carried out with financial support from the Russian Foundation for Basic Research (project No. 96-02-18377).     

Model reduction for reacting flow applications

A model reduction approach based on Galerkin projection, proper orthogonal decomposition (POD), and the discrete empirical interpolation method (DEIM) is developed for chemically reacting flow applications. Such applications are challenging for model reduction due to the strong coupling between fluid dynamics and chemical kinetics, a wide range of temporal and spatial scales, highly nonlinear chemical kinetics, and long simulation run-times. In our approach, the POD technique combined with Galerkin projection reduces the dimension of the state (unknown chemical concentrations over the spatial domain), while the DEIM approximates the nonlinear chemical source term. The combined method provides an efficient offline–online solution strategy that enables rapid solution of the reduced-order models. Application of the approach to an ignition model of a premixed H₂/O₂/Ar mixture with 19 reversible chemical reactions and 9 species leads to reduced-order models with state dimension several orders of magnitude smaller than the original system. For example, a reduced-order model with state dimension of 60 accurately approximates a full model with a dimension of 91,809. This accelerates the simulation of the chemical kinetics by more than two orders of magnitude. When combined with the full-order flow solver, this results in a reduction of the overall computational time by a factor of approximately 10. The reduced-order models are used to analyse the sensitivity of outputs of interest with respect to uncertain input parameters describing the reaction kinetics.     

Amplification of the emission of a CO2 laser in the products of the reaction of carbon monoxide and nitrous oxide

To produce laser-active gaseous media, and to investigate their characteristics, it is convenient to use expanding gasdynamic flows [1–4], and high-speed chemical reactions [5, 6]. The idea of a chemical-gasdynamic laser [7, 8], based on a combination of the chemical and gasdynamic methods of producing population inversion is of interest. In this paper we investigate the conditions under which population inversion of the vibrational levels of the CO₂ molecule can be produced in expanding flows of different gaseous mixtures containing CO₂, including the products of the reaction between NO and CO with the addition of a small amount of hydrogen, and when the initial mixture is diluted with nitrogen or argon. The effect of the composition of the initial mixture and the temperature in front of the nozzle on the gain of the coherent emission at a wavelength of 10.6 μm in the working cross section of the flow is investigated.     

The Effect of Diluent on the Sustainability of MILD Combustion in a Cyclonic Burner

The present study investigates the characteristics of MILD/flameless combustion in a cyclonic lab-scale burner. Such a configuration is effective for achieving turbulent mixing in a very short time while allowing for a reasonably long residence time for the development of combustion reactions. These two constraints are mandatory in the case of MILD combustion processes (high inlet temperatures and diluted mixtures). Such operating conditions are achieved through massive heat/mass recirculation towards the fresh incoming mixtures by recycling the exhausted gases, featuring a process where chemical kinetics times are elongated because of the dilution levels. Thus, long residence times are needed to achieve a satisfying reaction progress, and the high inlet temperatures result in fast and efficient mixing between disproportionate flows to avoid the onset of oxidation reactions before achieving diluted conditions. Under these constraints, a lab-scale facility was designed and built. The oxidation processes of C₃H₈/O₂ mixtures highly diluted in N₂ or CO₂ were investigated by varying the external parameters of the system, namely, the inlet temperature (up to 1300 K) and the mixture composition (from lean to rich mixtures). Several combustion regimes were experimentally identified. When the MILD regime was established, the combustion process became homogeneous within the burner without luminous emissions. To investigate the distributed nature of the MILD combustion processes, chemical simulations were performed under the assumption of a well-stirred reactor. For both the diluents, good agreement between the experimental and numerical results was obtained for MILD combustion conditions.     

A comparison of three different methods for measuring both normal stress differences of viscoelastic liquids in torsional rheometers

A novel pressure sensor plate (normal stress sensor (NSS) from RheoSense, Inc.) was adapted to an Advanced Rheometrics Expansion System rheometer in order to measure the radial pressure profile for a standard viscoelastic fluid, a poly(isobutylene) solution, during cone–plate and parallel-plate shearing flows at room temperature. We observed in our previous experimental work that use of the NSS in cone-and-plate shearing flow is suitable for determining the first and second normal stress differences N ₁ and N ₂ of various complex fluids. This is true, in part, because the uniformity of the shear rate at small cone angles ensures the existence of a simple linear relationship between the pressure [i.e., the vertical diagonal component of the total stress tensor (Π₂₂)] and the logarithm of the radial position r (Christiansen and coworkers, Magda et al.). However, both normal stress differences can also be calculated from the radial pressure distribution measured in parallel-plate torsional flows. This approach has rarely been attempted, perhaps because of the additional complication that the shear rate value increases linearly with radial position. In this work, three different methods are used to investigate N ₁ and N ₂ as a function of shear rate in steady shear flow. These methods are: (1) pressure distribution cone–plate (PDCP) method, (2) pressure distribution parallel-plate (PDPP) method, and (3) total force cone–plate parallel-plate (TFCPPP) method. Good agreement was obtained between N ₁ and N ₂ values obtained from the PDCP and PDPP methods. However, the measured N ₁ values were 10–15% below the certified values for the standard poly(isobutylene) solution at higher shear rates. The TFCPPP method yielded N ₁ values that were in better agreement with the certified values but gave positive N ₂ values at most shear rates, in striking disagreement with published results for the standard poly(isobutylene) solution.

Simulation numérique des détonations à double structure cellulaireNumerical simulation of detonations with double cellular structure

We present the results of numerical two-dimensional simulations of detonation cellular structures under non-monotonous heat release provided by a chemical reaction comprising two successive exothermic steps. The influence of the rate of the second step of chemical reaction on the detonation cellular structure has been investigated. Our simulations are the first that reproduce a cellular structure composed of two clearly distinct sets of cells with different characteristic sizes where fine cells completely fill up larger ones, as has been observed experimentally. To cite this article: V. Guilly et al., C. R. Mecanique 334 (2006).     

Transient radiative heat transfer within a suspension of coal particles undergoing steam gasification

Transient radiative heat transfer in chemical reacting media is examined for a non-isothermal, non-gray, absorbing, emitting, and Mie-scattering suspension of coal particles, whose radiative properties vary with time as the particles undergo shrinking by endothermic gasification. A numerical model that incorporates parallel filtered collision-based Monte Carlo ray tracing, finite volume method, and explicit Euler time integration scheme is formulated for solving the unsteady energy equation that couples the radiative heat flux with the chemical kinetics. Variation of radiative properties, attenuation characteristics, temperature profiles, and extent of the chemical reaction are reported as a function of time. It is found that radiation in the visible and near IR spectrum incident on a cloud of coal particles greater than 2.5m is more likely to be forward scattered than absorbed, but the opposite is true as the particles shrink below 1.3m. The medium becomes optically thinner as the particles shrink and this effect is more pronounced for smaller initial coal particles because these offer higher volume fraction to particle diameter ratio and, consequently, attain higher temperatures, reaction rates, and shrinking rates.

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Electrorheological response of SnO<Subscript>2</Subscript> and Y<Subscript>2</Subscript>O<Subscript>3</Subscript> nanoparticles in silicon oil

The electrorheological properties (ER) of some fluids containing particles change extensively under the external electrical field. This phenomenon is applicable in many industries and equipments, such as clutches and motor driven rotor, which would transfer the spin to a drive shaft through a thin layer of electrorheological fluid. In this investigation, the effects of external electrical field on ER properties of non-Newtonian fluids (silicon oil) with the addition of SnO₂ and Y₂O₃ nanoparticles were studied. The ER properties were measured for a wide range of SnO₂ and Y₂O₃ nanoparticle concentrations and DC electrical voltages using concentric cylinder rotary rheometer. Based on the results, ER properties of nanofluids, e.g., apparent viscosity, shear stress, and yield stress, were enhanced by applying electrical field and increasing SnO₂ and Y₂O₃ concentrations.