Direct Numerical Simulations of Premixed Turbulent Flames with Reduced Chemistry: Validation and Flamelet Analysis

Direct numerical simulation is a very powerful tool to evaluate the validity of new models and theories for turbulent combustion. In this paper, direct numerical simulations of spherically expanding premixed turbulent flames in the thin reaction zone regime and in the broken reaction zone regime are performed. The flamelet-generated manifold method is used in order to deal with detailed reaction kinetics. The computational results are analyzed by using an extended flame stretch theory. It is investigated whether this theory is able to describe the influence of flame stretch and curvature on the local burning velocity of the flame. It is found that if the full profiles of flame stretch and curvature through the flame front are included in the theory, the local mass burning rate is well predicted. The influence of several approximations, which are used in other existing theories, is studied. When flame stretch is assumed constant through the flame front or when curvature of the flame front is neglected, the theory fails to predict the local mass burning rate. The influence of using a reduced chemistry model is investigated by comparing flamelet simulations with reduced and detailed chemistry.     

A Similarity Subgrid Model for Premixed Turbulent Combustion

The accuracy of large-eddy simulation (LES) of a turbulent premixed Bunsen flame is investigated in this paper. To distinguish between discretization and modeling errors, multiple LES, using different grid sizes h but the same filterwidth Δ, are compared with the direct numerical simulation (DNS). In addition, LES using various values of Δ but the same ratio Δ/h are compared. The chemistry in the LES and DNS is parametrized with the standard steady premixed flamelet for stochiometric methane-air combustion. The subgrid terms are closed with an eddy-viscosity or eddy-diffusivity approach, with an exception of the dominant subgrid term, which is the subgrid part of the chemical source term. The latter subgrid contribution is modeled by a similarity model based upon 2Δ, which is found to be superior to such a model based upon Δ. Using the 2Δ similarity model for the subgrid chemistry the LES produces good results, certainly in view of the fact that the LES is completely wrong if the subgrid chemistry model is omitted. The grid refinements of the LES show that the results for Δ = h do depend on the numerical scheme, much more than for h = Δ/2 and h = Δ/4. Nevertheless, modeling errors and discretization error may partially cancel each other; occasionally the Δ = h results were more accurate than the h ≤ Δ results. Finally, for this flame LES results obtained with the present similarity model are shown to be slightly better than those obtained with standard β-pdf closure for the subgrid chemistry.     

Subgrid Scale Modeling in Large-Eddy Simulation of Turbulent Combustion Using Premixed Flamelet Chemistry

Large-eddy simulation (LES) of turbulent combustion with premixed flamelets is investigated in this paper. The approach solves the filtered Navier–Stokes equations supplemented with two transport equations, one for the mixture fraction and another for a progress variable. The LES premixed flamelet approach is tested for two flows: a premixed preheated Bunsen flame and a partially premixed diffusion flame (Sandia Flame D). In the first case, we compare the LES with a direct numerical simulation (DNS). Four non-trivial models for the chemical source term are considered for the Bunsen flame: the standard presumed beta-pdf model, and three new propositions (simpler than the beta-pdf model): the filtered flamelet model, the shift-filter model and the shift-inversion model. A priori and a posteriori tests are performed for these subgrid reaction models. In the present preheated Bunsen flame, the filtered flamelet model gives the best results in a priori tests. The LES tests for the Bunsen flame are limited to a case in which the filter width is only slightly larger than the flame thickness. According to the a posteriori tests the three models (beta-pdf, filtered flamelet and shift-inversion) show more or less the same results as the trivial model, in which subgrid reaction effects are ignored, while the shift-filter model leads to worse results. Since LES needs to resolve the large turbulent eddies, the LES filter width is bounded by a maximum. For the present Bunsen flame this means that the filter width should be of the order of the flame thickness or smaller. In this regime, the effects of subgrid reaction and subgrid flame wrinkling turn out to be quite modest. The LES-results of the second case (Sandia Flame D) are compared to experimental data. Satisfactory agreement is obtained for the main species. Comparison is made between different eddy-viscosity models for the subgrid turbulence, and the Smagorinsky eddy-viscosity is found to give worse results than eddy-viscosities that are not dominated by the mean shear. Paper presented on the Eccomas Thematic Conference Computational Combustion 2007, submitted for a special issue of Flow, Turbulence and Combustion.     

Calculating the soot particle size distribution function in turbulent diffusion flames using a sectional method

Soot formation in a turbulent jet diffusion flame is modeled using an unsteady flamelet approach in post-process. In the present work, we apply a detailed kinetic soot model with a sectional method, and study the evolution of the particle size distribution. Detailed information on the evolution of the soot particle size distribution function is acquired. It is found that the particle size distribution function is bimodal throughout the flame. The transition from the small to large particle size distributions is strongly influenced by surface growth and oxidation reactions. We find that large particles are most likely to be emitted from the flame.     

Large Eddy Simulation of Turbulent Reacting Shear Layers Including Finite-Rate Chemistry and Detailed Diffusion Processes

Large eddy simulations (LES) of turbulent temporal shear layers with hydrogen chemistry are performed. In these simulations, approximate deconvolution is applied as an implicit subgrid-scale modeling approach to a reacting flow in combination with a steady flamelet model for the filtered heat release term. No additional heuristical or physical subgrid models are used. The formulation of the flamelet equations in physical space does not only allow to consider a detailed reaction scheme and the extinguished phase but also to take into account detailed diffusion mechanisms (Soret and Dufour effects, multicomponent diffusion coefficients). Two different levels of diffusion approximations are investigated in this work, the aim of which is twofold: Firstly, to verify approximate deconvolution as a tool for convective transport of mass, momentum and energy in gas flow, by comparing the LES results with those of a direct numerical simulation and secondly, to investigate the influence of detailed diffusion on the laminar flamelets and the LES results.     

Phase synchronization and collective interaction of multiple flamelets in a laboratory scale spray combustor

In this paper, we investigate the coupled behvior of the acoustic field in the confinement and the unsteady flame dynamics in a laboratory scale spray combustor. We study this interaction during the intermittency route to thermoacoustic instability when the location of the flame is varied inside the combustor. As the flame location is changed, the synchronization properties of the coupled acoustic pressure and heat release rate signals change from desynchronized aperiodicity (combustion noise) to phase synchronized periodicity (thermoacoustic instability) through intermittent phase synchronization (intermittency). We also characterize the collective interaction between the multiple flamelets anchored at the flame holder and the acoustic field in the system, during different dynamical states observed in the combustor operation. When the signals are desynchronized, we notice that the flamelets exhibit a steady combustion without the exhibition of a prominent feedback with the acoustic field. In a state of intermittent phase synchronization, we observe the existence of a short-term coupling between the heat release rate and the acoustic field. We notice that the onset of collective synchronization in the oscillations of multiple flamelets and the acoustic field leads to the simultaneous emergence of periodicity in the global dynamics of the system. This collective periodicity in both the subsystems causes enhancement of oscillations during epochs of amplitude growth in the intermittency signal. On the contrary, the weakening of the coupling induces suppression of periodic oscillations during epochs of amplitude decay in the intermittency signal. During phase synchronization, we notice a sustained synchronized movement of all flamelets with the periodicity of the acoustic cycle in the system.     

Velocity of weakly turbulent flames of finite thickness

The velocity increase of a weakly turbulent flame of finite thickness is investigated using analytical theory developed in previous papers. The obtained velocity increase depends on the flow parameters: on the turbulent intensity, on the turbulent spectrum and on the characteristic length scale. It also depends on the thermal and chemical properties of the burning matter: thermal expansion, the Markstein number and the temperature dependence of transport coefficients. It is shown that the influence of the finite flame thickness is especially strong close to the resonance point, when the wavelength of the turbulent harmonic is equal to the cut off wavelength of the Darrieus–Landau instability. The velocity increase is almost independent of the Prandtl number. On the contrary, the Markstein number is one of the most important parameters controlling the velocity increase. The relative role of the external turbulence and the Darrieus–Landau instability for the velocity increase is studied for different parameters of the flow and the burning matter. The velocity increase for turbulent flames in methane and propane fuel mixtures is calculated for different values of the equivalence ratio. The present theoretical results are compared with previous experiments on turbulent flames. In order to perform the comparison, the theoretical results of the present paper are extrapolated to the case of a strongly corrugated flame front using the ideas of self-similar flame dynamics. The obtained theoretical results are in a reasonable agreement with the experimental data, taking into account the uncertainties of both the theory and the experiments. It is shown that in many experiments on turbulent flames the Darrieus–Landau instability is more important for the flame velocity than the external turbulence.