Estudo experimental de chamas difusivas livres turbulentas de gás natural submetidas a oscilações acústicas

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

A model for turbulent combustion simulation of large scale hydrogen explosions

El agotamiento, la ausencia o, simplemente, la incertidumbre sobre la cantidad de las reservas de combustibles fósiles se añaden a la variabilidad de los precios y a la creciente inestabilidad en la cadena de aprovisionamiento para crear fuertes incentivos para el desarrollo de fuentes y vectores energéticos alternativos. El atractivo de hidrógeno como vector energético es muy alto en un contexto que abarca, además, fuertes inquietudes por parte de la población sobre la contaminación y las emisiones de gases de efecto invernadero. Debido a su excelente impacto ambiental, la aceptación pública del nuevo vector energético dependería, a priori, del control de los riesgos asociados su manipulación y almacenamiento. Entre estos, la existencia de un innegable riesgo de explosión aparece como el principal inconveniente de este combustible alternativo. Esta tesis investiga la modelización numérica de explosiones en grandes volúmenes, centrándose en la simulación de la combustión turbulenta en grandes dominios de cálculo en los que la resolución que es alcanzable está fuertemente limitada. En la introducción, se aborda una descripción general de los procesos de explosión. Se concluye que las restricciones en la resolución de los cálculos hacen necesario el modelado de los procesos de turbulencia y de combustión. Posteriormente, se realiza una revisión crítica de las metodologías disponibles tanto para turbulencia como para combustión, que se lleva a cabo señalando las fortalezas, deficiencias e idoneidad de cada una de las metodologías. Como conclusión de esta investigación, se obtiene que la única estrategia viable para el modelado de la combustión, teniendo en cuenta las limitaciones existentes, es la utilización de una expresión que describa la velocidad de combustión turbulenta en función de distintos parámetros. Este tipo de modelos se denominan Modelos de velocidad de llama turbulenta y permiten cerrar una ecuación de balance para la variable de progreso de combustión. Como conclusión también se ha obtenido, que la solución más adecuada para la simulación de la turbulencia es la utilización de diferentes metodologías para la simulación de la turbulencia, LES o RANS, en función de la geometría y de las restricciones en la resolución de cada problema particular. Sobre la base de estos hallazgos, el crea de un modelo de combustión en el marco de los modelos de velocidad de la llama turbulenta. La metodología propuesta es capaz de superar las deficiencias existentes en los modelos disponibles para aquellos problemas en los que se precisa realizar cálculos con una resolución moderada o baja. Particularmente, el modelo utiliza un algoritmo heurístico para impedir el crecimiento del espesor de la llama, una deficiencia que lastraba el célebre modelo de Zimont. Bajo este enfoque, el énfasis del análisis se centra en la determinación de la velocidad de combustión, tanto laminar como turbulenta. La velocidad de combustión laminar se determina a través de una nueva formulación capaz de tener en cuenta la influencia simultánea en la velocidad de combustión laminar de la relación de equivalencia, la temperatura, la presión y la dilución con vapor de agua. La formulación obtenida es válida para un dominio de temperaturas, presiones y dilución con vapor de agua más extenso de cualquiera de las formulaciones previamente disponibles. Por otra parte, el cálculo de la velocidad de combustión turbulenta puede ser abordado mediante el uso de correlaciones que permiten el la determinación de esta magnitud en función de distintos parámetros. Con el objetivo de seleccionar la formulación más adecuada, se ha realizado una comparación entre los resultados obtenidos con diversas expresiones y los resultados obtenidos en los experimentos. Se concluye que la ecuación debida a Schmidt es la más adecuada teniendo en cuenta las condiciones del estudio. A continuación, se analiza la importancia de las inestabilidades de la llama en la propagación de los frentes de combustión. Su relevancia resulta significativa para mezclas pobres en combustible en las que la intensidad de la turbulencia permanece moderada. Estas condiciones son importantes dado que son habituales en los accidentes que ocurren en las centrales nucleares. Por ello, se lleva a cabo la creación de un modelo que permita estimar el efecto de las inestabilidades, y en concreto de la inestabilidad acústica-paramétrica, en la velocidad de propagación de llama. El modelado incluye la derivación matemática de la formulación heurística de Bauwebs et al. para el cálculo de la incremento de la velocidad de combustión debido a las inestabilidades de la llama, así como el análisis de la estabilidad de las llamas con respecto a una perturbación cíclica. Por último, los resultados se combinan para concluir el modelado de la inestabilidad acústica-paramétrica. Tras finalizar esta fase, la investigación se centro en la aplicación del modelo desarrollado en varios problemas de importancia para la seguridad industrial y el posterior análisis de los resultados y la comparación de los mismos con los datos experimentales correspondientes. Concretamente, se abordo la simulación de explosiones en túneles y en contenedores, con y sin gradiente de concentración y ventilación. Como resultados generales, se logra validar el modelo confirmando su idoneidad para estos problemas. Como última tarea, se ha realizado un analisis en profundidad de la catástrofe de Fukushima-Daiichi. El objetivo del análisis es determinar la cantidad de hidrógeno que explotó en el reactor número uno, en contraste con los otros estudios sobre el tema que se han centrado en la determinación de la cantidad de hidrógeno generado durante el accidente. Como resultado de la investigación, se determinó que la cantidad más probable de hidrogeno que fue consumida durante la explosión fue de 130 kg. Es un hecho notable el que la combustión de una relativamente pequeña cantidad de hidrogeno pueda causar un daño tan significativo. Esta es una muestra de la importancia de este tipo de investigaciones. Las ramas de la industria para las que el modelo desarrollado será de interés abarca la totalidad de la futura economía de hidrógeno (pilas de combustible, vehículos, almacenamiento energético, etc) con un impacto especial en los sectores del transporte y la energía nuclear, tanto para las tecnologías de fisión y fusión. ABSTRACT The exhaustion, absolute absence or simply the uncertainty on the amount of the reserves of fossil fuels sources added to the variability of their prices and the increasing instability and difficulties on the supply chain are strong incentives for the development of alternative energy sources and carriers. The attractiveness of hydrogen in a context that additionally comprehends concerns on pollution and emissions is very high. Due to its excellent environmental impact, the public acceptance of the new energetic vector will depend on the risk associated to its handling and storage. Fromthese, the danger of a severe explosion appears as the major drawback of this alternative fuel. This thesis investigates the numerical modeling of large scale explosions, focusing on the simulation of turbulent combustion in large domains where the resolution achievable is forcefully limited. In the introduction, a general description of explosion process is undertaken. It is concluded that the restrictions of resolution makes necessary the modeling of the turbulence and combustion processes. Subsequently, a critical review of the available methodologies for both turbulence and combustion is carried out pointing out their strengths and deficiencies. As a conclusion of this investigation, it appears clear that the only viable methodology for combustion modeling is the utilization of an expression for the turbulent burning velocity to close a balance equation for the combustion progress variable, a model of the Turbulent flame velocity kind. Also, that depending on the particular resolution restriction of each problem and on its geometry the utilization of different simulation methodologies, LES or RANS, is the most adequate solution for modeling the turbulence. Based on these findings, the candidate undertakes the creation of a combustion model in the framework of turbulent flame speed methodology which is able to overcome the deficiencies of the available ones for low resolution problems. Particularly, the model utilizes a heuristic algorithm to maintain the thickness of the flame brush under control, a serious deficiency of the Zimont model. Under the approach utilized by the candidate, the emphasis of the analysis lays on the accurate determination of the burning velocity, both laminar and turbulent. On one side, the laminar burning velocity is determined through a newly developed correlation which is able to describe the simultaneous influence of the equivalence ratio, temperature, steam dilution and pressure on the laminar burning velocity. The formulation obtained is valid for a larger domain of temperature, steam dilution and pressure than any of the previously available formulations. On the other side, a certain number of turbulent burning velocity correlations are available in the literature. For the selection of the most suitable, they have been compared with experiments and ranked, with the outcome that the formulation due to Schmidt was the most adequate for the conditions studied. Subsequently, the role of the flame instabilities on the development of explosions is assessed. Their significance appears to be of importance for lean mixtures in which the turbulence intensity remains moderate. These are important conditions which are typical for accidents on Nuclear Power Plants. Therefore, the creation of a model to account for the instabilities, and concretely, the acoustic parametric instability is undertaken. This encloses the mathematical derivation of the heuristic formulation of Bauwebs et al. for the calculation of the burning velocity enhancement due to flame instabilities as well as the analysis of the stability of flames with respect to a cyclic velocity perturbation. The results are combined to build a model of the acoustic-parametric instability. The following task in this research has been to apply the model developed to several problems significant for the industrial safety and the subsequent analysis of the results and comparison with the corresponding experimental data was performed. As a part of such task simulations of explosions in a tunnel and explosions in large containers, with and without gradient of concentration and venting have been carried out. As a general outcome, the validation of the model is achieved, confirming its suitability for the problems addressed. As a last and final undertaking, a thorough study of the Fukushima-Daiichi catastrophe has been carried out. The analysis performed aims at the determination of the amount of hydrogen participating on the explosion that happened in the reactor one, in contrast with other analysis centered on the amount of hydrogen generated during the accident. As an outcome of the research, it was determined that the most probable amount of hydrogen exploding during the catastrophe was 130 kg. It is remarkable that the combustion of such a small quantity of material can cause tremendous damage. This is an indication of the importance of these types of investigations. The industrial branches that can benefit from the applications of the model developed in this thesis include the whole future hydrogen economy, as well as nuclear safety both in fusion and fission technology.

LES of flame acceleration and DDT in hydrogen-air mixture using artificially thickened flame approach and detailed chemical kinetics

A large eddy simulation is performed to study the deflagration to detonation transition phenomenon in an obstructed channel containing premixed stoichiometric hydrogen–air mixture. Two-dimensional filtered reactive Navier–Stokes equations are solved utilizing the artificially thickened flame approach (ATF) for modeling sub-grid scale combustion. To include the effect of induction time, a 27-step detailed mechanism is utilized along with an in situ adaptive tabulation (ISAT) method to reduce the computational cost due to the detailed chemistry. The results show that in the slow flame propagation regime, the flame–vortex interaction and the resulting flame folding and wrinkling are the main mechanisms for the increase of the flame surface and consequently acceleration of the flame. Furthermore, at high speed, the major mechanisms responsible for flame propagation are repeated reflected shock–flame interactions and the resulting baroclinic vorticity. These interactions intensify the rate of heat release and maintain the turbulence and flame speed at high level. During the flame acceleration, it is seen that the turbulent flame enters the ‘thickened reaction zones’ regime. Therefore, it is necessary to utilize the chemistry based combustion model with detailed chemical kinetics to properly capture the salient features of the fast deflagration propagation.

Propagation of nonstationary curved and stretched premixed flames with multistep reaction mechanisms

The propagation speed of a thin premixed flame disturbed by an unsteady fluid flow of a larger scale is considered. The flame may also have a general shape but the reaction zone is assumed to be thin compared to the flame thickness. Unlike in preceding publications, the presented asymptotic analysis is performed for a general multistep reaction mechanism and, at the same time, the flame front is curved by the fluid flow. The resulting equations define the propagation speed of disturbed flames in terms of the properties of undisturbed planar flames and the flame stretch. Special attention is paid to the near-equidiffusion limit. In this case, the flame propagation speed is shown to depend on the effective Zeldovich number Z(f) , and the flame stretch. Unlike the conventional Zeldovich number, the effective Zeldovich number is not necessarily linked directly to the activation energies of the reactions. Several examples of determining the effective Zeldovich number for reduced combustion mechanisms are given while, for realistic reactions, the effective Zeldovich number is determined from experiments. Another feature of the present approach is represented by the relatively simple asymptotic technique based on the adaptive generalized curvilinear system of coordinates attached to the flame (i.e., intrinsic disturbed flame equations [IDFE]).

Numerical simulation of an ethanol turbulent spray flame with RANS and diffusion combustion model

A detailed numerical simulation of ethanol turbulent spray combustion on a rounded jet flame is pre- sented in this article. The focus is to propose a robust mathematical model with relatively low complexity sub- models to reproduce the main characteristics of the cou- pling between both phases, such as the turbulence modulation, turbulent droplets dissipation, and evaporative cooling effect. A RANS turbulent model is implemented. Special features of the model include an Eulerian– Lagrangian procedure under a fully two-way coupling and a modified flame sheet model with a joint mixture fraction– enthalpy b -PDF. Reasonable agreement between measured and computed mean profiles of temperature of the gas phase and droplet size distributions is achieved. Deviations found between measured and predicted mean velocity profiles are attributed to the turbulent combustion modeling adopted

CH and C2 radicals characterization in natural gas turbulent diffusion flames

This paper reports the construction of an axisymmetric nonpremixed piloted jet burner, with well-defined initial and boundary conditions, known as the Delft burner, to assess turbulence-chemistry interaction in non-premixed turbulent flames. Detailed experimental information is described, involving hot-wire anemometry, thin-wire thermocouples and chemiluminescence visualization measurements. Radial profile of the axial mean velocity indicates excellent agreement between flow patterns developed within Delft installation and the one described herein. Chemiluminescence emissions from CH and C2 free-radicals were acquired with a CCD camera. Tomography reconstruction analysis was utilised to compare radical emissions and temperature spatial distributions. There was a strong dependence between temperature and CH/C 2 emissions. This is an indication that these radicals can be used in flame front studies.

Modeling of Turbulent Natural Gas and Biogas Flames of the Delft Jet-in-Hot-Coflow Burner: Effects of Coflow Temperature, Fuel Temperature and Fuel Composition on the Flame Lift-Off Height

The structure of a turbulent non-premixed flame of a biogas fuel in a hot and diluted coflow mimicking moderate and intense low dilution (MILD) combustion is studied numerically. Biogas fuel is obtained by dilution of Dutch natural gas (DNG) with CO2. The results of biogas combustion are compared with those of DNG combustion in the Delft Jet-in-Hot-Coflow (DJHC) burner. New experimental measurements of lift-off height and of velocity and temperature statistics have been made to provide a database for evaluating the capability of numerical methods in predicting the flame structure. Compared to the lift-off height of the DNG flame, addition of 30 % carbon dioxide to the fuel increases the lift-off height by less than 15 %. Numerical simulations are conducted by solving the RANS equations using Reynolds stress model (RSM) as turbulence model in combination with EDC (Eddy Dissipation Concept) and transported probability density function (PDF) as turbulence-chemistry interaction models. The DRM19 reduced mechanism is used as chemical kinetics with the EDC model. A tabulated chemistry model based on the Flamelet Generated Manifold (FGM) is adopted in the PDF method. The table describes a non-adiabatic three stream mixing problem between fuel, coflow and ambient air based on igniting counterflow diffusion flamelets. The results show that the EDC/DRM19 and PDF/FGM models predict the experimentally observed decreasing trend of lift-off height with increase of the coflow temperature. Although more detailed chemistry is used with EDC, the temperature fluctuations at the coflow inlet (approximately 100K) cannot be included resulting in a significant overprediction of the flame temperature. Only the PDF modeling results with temperature fluctuations predict the correct mean temperature profiles of the biogas case and compare well with the experimental temperature distributions.

Measurements of neutral atom diffusion and electron-ion recombination by laser enhanced ionisation and planar laser induced fluorescence in an air-acetylene flame

The spatial and temporal evolution of a depleted atomic distribution created by laser enhanced ionisation (LEI) was employed to determine both a diffusion coefficient for sodium (Na) and an electron (e(-)) and sodium ion recombination rate coefficient in an analytical air-C2H2 flame. A depleted distribution of neutral sodium atoms was produced in a flame by ionising approximately 80% of the irradiated sodium atoms in a well defined region using a two step LEI excitation scheme. Following depletion by ionisation, planar laser induced fluorescence (PLIF) images of the depleted region recorded the diffusion and decay of the depleted Na distribution for different depletion-probe delays. From measurements of the diffused width of the distribution, an accurate diffusion coefficient D = (1.19 +/- 0.03) x 10(-3) m(2) s(-1) for Na was determined in teh burnt gases of the flame. Measurements of the integrated fluorescence intensity in the depleted region for different depletion-probe delays were related to an increase in atomic sodium concentration caused by electron-ion recombination. At high concentrations (greater than or equal to 50 mu g ml(-1)), where the electron and ion concentrations in the depleted region were assumed equal, a recombination rate coefficient of 4.2 x 10(-9) cm(3) s(-1) was calculated. (C) 1997 Elsevier Science B.V.

Diffusion in spatially and temporarily inhomogeneous media: Effects of turbulent mixing

We consider diffusion of a passive substance C in a phase-separating nonmiscible binary alloy under turbulent mixing. The substance is assumed to have different diffusion coefficients in the pure phases A and B, leading to a spatially and temporarily dependent diffusion ¿coefficient¿ in the diffusion equation plus convective term. In this paper we consider especially the effects of a turbulent flow field coupled to both the Cahn-Hilliard type evolution equation of the medium and the diffusion equation (both, therefore, supplemented by a convective term). It is shown that the formerly observed prolonged anomalous diffusion [H. Lehr, F. Sagués, and J.M. Sancho, Phys. Rev. E 54, 5028 (1996)] is no longer seen if a flow of sufficient intensity is supplied.

Diffusion in spatially and temporarily inhomogeneous media: Effects of turbulent mixing

We consider diffusion of a passive substance C in a phase-separating nonmiscible binary alloy under turbulent mixing. The substance is assumed to have different diffusion coefficients in the pure phases A and B, leading to a spatially and temporarily dependent diffusion ¿coefficient¿ in the diffusion equation plus convective term. In this paper we consider especially the effects of a turbulent flow field coupled to both the Cahn-Hilliard type evolution equation of the medium and the diffusion equation (both, therefore, supplemented by a convective term). It is shown that the formerly observed prolonged anomalous diffusion [H. Lehr, F. Sagués, and J.M. Sancho, Phys. Rev. E 54, 5028 (1996)] is no longer seen if a flow of sufficient intensity is supplied.

DIFFUSION OF MAGNETIC FIELD AND REMOVAL OF MAGNETIC FLUX FROM CLOUDS VIA TURBULENT RECONNECTION

The diffusion of astrophysical magnetic fields in conducting fluids in the presence of turbulence depends on whether magnetic fields can change their topology via reconnection in highly conducting media. Recent progress in understanding fast magnetic reconnection in the presence of turbulence reassures that the magnetic field behavior in computer simulations and turbulent astrophysical environments is similar, as far as magnetic reconnection is concerned. This makes it meaningful to perform MHD simulations of turbulent flows in order to understand the diffusion of magnetic field in astrophysical environments. Our studies of magnetic field diffusion in turbulent medium reveal interesting new phenomena. First of all, our three-dimensional MHD simulations initiated with anti-correlating magnetic field and gaseous density exhibit at later times a de-correlation of the magnetic field and density, which corresponds well to the observations of the interstellar media. While earlier studies stressed the role of either ambipolar diffusion or time-dependent turbulent fluctuations for de-correlating magnetic field and density, we get the effect of permanent de-correlation with one fluid code, i.e., without invoking ambipolar diffusion. In addition, in the presence of gravity and turbulence, our three-dimensional simulations show the decrease of the magnetic flux-to-mass ratio as the gaseous density at the center of the gravitational potential increases. We observe this effect both in the situations when we start with equilibrium distributions of gas and magnetic field and when we follow the evolution of collapsing dynamically unstable configurations. Thus, the process of turbulent magnetic field removal should be applicable both to quasi-static subcritical molecular clouds and cores and violently collapsing supercritical entities. The increase of the gravitational potential as well as the magnetization of the gas increases the segregation of the mass and magnetic flux in the saturated final state of the simulations, supporting the notion that the reconnection-enabled diffusivity relaxes the magnetic field + gas system in the gravitational field to its minimal energy state. This effect is expected to play an important role in star formation, from its initial stages of concentrating interstellar gas to the final stages of the accretion to the forming protostar. In addition, we benchmark our codes by studying the heat transfer in magnetized compressible fluids and confirm the high rates of turbulent advection of heat obtained in an earlier study.

An investigation on parallel, divergent and convergent acetylene dual jet diffusion flames

Results are presented and discussed of an experimental investigation on acetylene turbulent dual jet diffusion flames. The study includes parameters of flames in parallel, divergent and convergent configurations. Tests with two parallel jets with addition of helium in the fuel stream were also performed and analysed. The variation of overall flame length and of other name physical characteristics, such as width, volume and conditions for lifting, are presented as functions of burner tip Reynolds number, jet distance from each other and inclination angle. The effects of diluent concentration in the fuel gas stream are presented for single and two parallel jets. (C) 1999 Elsevier B.V. Ltd.

Gas concentration and temperature excited Delft turbulent jet in acoustically flames

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)