Coupling tabulated chemistry with Large Eddy Simulation of turbulent reactive flows

A new modeling strategy is developed to introduce tabulated chemistry methods in the LES of turbulent premixed combustion. The objective is to recover the correct laminar flame propagation speed of the filtered flame front when the subgrid scale turbulence vanishes. The filtered flame structure is mapped by 1D filtered laminar premixed flames. Closure of the filtered progress variable and the energy balance equations are carefully addressed. The methodology is applied to 1D and 2D filtered laminar flames. These computations show the capability of the model to recover the laminar flame speed and the correct chemical structure when the flame wrinkling is completely resolved. The model is then extended to turbulent combustion regimes by introducing subgrid scale wrinkling effects on the flame front propagation. Finally, the LES of a 3D turbulent premixed flame is performed. To cite this article: R. Vicquelin et al., C. R. Mecanique 337 (2009).     

RANS Simulations of a Series of Turbulent V-Shaped Flames using Conditional Source-term Estimation

In the present study, Reynolds Averaged Navier Stokes (RANS) simulations are applied to a series of turbulent V-shaped flames. Two formulations of Conditional Source-term Estimation (CSE) are developed using singly and doubly conditioned averages for turbulent premixed and partially premixed flames, respectively. Detailed chemistry is included. Conditionally averaged chemical source terms are closed by conditional averaged scalars which are obtained by inverting an integral equation. The objectives are to study a turbulent premixed V-shaped flame using the premixed CSE approach and apply the Doubly Conditional CSE (DCSE) combustion model to a case of stratified combustion. The partially premixed implementation involves double conditioning on two variables, mixture fraction and progress variable. The present study represents the first application of DCSE for a series of turbulent stratified flames. First, CSE is analysed for fully premixed conditions. A sensitivity analysis on the number of CSE ensembles and different scalar dissipation model closures is performed. Good results are obtained in terms of velocity and progress variable profiles. Finally, the partially premixed formulation is applied to the stratified case at three different conditions, corresponding to two different turbulence grids and three different profiles of the equivalence ratio, providing promising results.     

Flame Surface Density in Turbulent Premixed V-Flame with Buoyancy

A fractional step numerical model is established for turbulent premixed combustion with buoyancy. The flame front propagation is described by the level-set method. Simulated results without buoyancy have been previously validated with available experimental data on a premixed V-flame. A new formula is presented to fit the flame surface density with respect to the reaction progress variable in a turbulent premixed V-flame. By numerical simulations, dynamical behaviour of the flame under the interaction of turbulence, exothermicity and buoyancy are investigated.     

A Non-Adiabatic Flamelet Progress�CVariable Approach for LES of Turbulent Premixed Flames

A progress variable/flame surface density/probability density function method has been employed for a Large Eddy Simulation of a CH₄/Air turbulent premixed bluff body flame. In particular, both mean and variance of the progress variable are transported and subgrid spatially filtered gradient contributes to model the flame surface density (that introduces the effect of the subgrid flame reaction zone) and to presume a probability density function (that introduces the effect of subgrid fluctuations on chemistry). Chemistry is preliminarly tabulated in terms of laminar premixed flames and enthalpy is included as a new coordinate in their tabulation to take into account heat losses in the flowfield. Then, the PDF is used to build a turbulent flamelet library. The filtered mass, momentum, enthalpy and scalar equations mentioned above are integrated by an explicit scheme using finite differences, 2nd?Corder accurate in space and third order in time, over a cylindrical non-uniform grid using a staggered mesh. The bluff-body geometry is modelled by using the Immersed Boundary Method. The numerical predictions are compared with the available experimental data.     

Towards an Extension of TFC Model of Premixed Turbulent Combustion

In order to determine the mean rate of product creation within the framework of the Turbulent Flame Closure (TFC) model of premixed combustion, the model is combined with a simple closure of turbulent scalar flux developed recently by the present authors based on the flamelet concept of turbulent burning. The model combination is assessed by numerically simulating statistically planar, one-dimensional, developing premixed flames that propagate in frozen turbulence. The mean rate of product creation yielded by the combined model decreases too slowly at the trailing edges of the studied flames, with the effect being more pronounced at longer flame-development times and larger ratios of rms turbulent velocity u′ to laminar flame speed S _L . To resolve the problem, the above closure of turbulent scalar flux is modified and the combination of the modified closure and TFC model yields reasonable behaviour of the studied rate. In particular, simulations indicate an increase in the mean combustion progress variable associated with the maximum rate by u′/S _L , in line with available DNS data. Finally, the modified closure of turbulent scalar flux is validated by computing conditioned velocities and turbulent scalar fluxes in six impinging-jet flames. The use of the TFC model for simulating such flames is advocated.     

Modelling Turbulent Premixed Combustion Using the Level Set Approach for Reynolds Averaged Models

A model for premixed turbulent combustion is investigated using a RANS-approach. The evolution of the flame front is described in terms of the G-equation. The numerical instabilities of the G-field are resolved using a reinitialisation procedure. For the G-points near the flame surface an algorithm proposed by Russo and Smereka [1] and modificated by Düsing [2] is presented. For all other points the standard Sussman algorithm is employed. Fluid properties are conditioned on the flame front position using a burnt-unburnt probability function across the flame front. Computations are performed using the code FASTEST-3D [3] which is a flow solver for a non-orthogonal, block-structured grid. The computational examples include two test cases, the first containing the propagation of two circular merging flames and the second one containing the simulation of the ORACLES-burner [4].     

A Study of Strain Rate Effects for Turbulent Premixed Flames with Application to LES of a Gas Turbine Combustor Model

Large-scale strain rate field, a resolved quantity which is easily computable in large-eddy simulations (LES), could have profound effects on the premixed flame properties by altering the turbulent flame speed and inducing local extinction. The role of the resolved strain rate has been investigated in a posterior LES study of GE lean premixed dry low-NOx emissions LM6000 gas turbine combustor model. A novel approach which is based on the coupling of the linear-eddy model with a one-dimensional counterflow solver has been applied to obtain the parameterizations of the resolved premixed flame properties in terms of the reactive progress variable, the local strain rate measure, and local Reynolds and Karlovitz numbers. The strain rate effects have been analyzed by comparing LES statistics for several models of the turbulent flame speed, i.e, with and without accounting for the local strain rate effects, with available experimental data. The sensitivity of the simulation results to the inflow velocity conditions as well as the grid resolution have been also studied. Overall, the results obtained demonstrate that the effects of the resolved strain rate are not dominant for the considered premixed flame configuration and the unstrained turbulent flame speed model is found to perform as well as the one that allows for the strain rate effects.     

LES/PDF Modeling of Turbulent Premixed Flames with Locally Enhanced Mixing by Reaction

Large-eddy simulations (LES) combined with the transported probability density function (PDF) method are carried out for two turbulent piloted premixed methane-air jet flames (flame F1 and flame F3) to assess the capability of LES/PDF for turbulent premixed combustion. The conventionally used model for the sub-filter scale mixing time-scale (or the mixing frequency) fails to capture the premixed flames correctly. This failure is expected to be caused by the lack of the sub-filter scale premixed flame propagation property in the sub-filter scale mixing process when the local flame front is under-resolved. It leads to slower turbulent premixed flame propagation and wider flame front. A new model for specifying the sub-filter scale mixing frequency is developed to account for the effect of sub-filter scale chemical reaction on mixing, based on past development of models for the sub-filter scale scalar dissipation rate in premixed combustion. The new model is assessed in the two turbulent premixed jet flames F1 and F3. Parametric studies are performed to examine the new model and its sensitivity when combined with the different mixing models. Significantly improved performance of the new mixing frequency model is observed to capture the premixed flame propagation reasonably, when compared with the conventional model. The sensitivity of the flame predictions is found be relatively weak to the different mixing models in conjunction with the new mixing frequency model.     

A Lagrangian-based flame index for the transported probability density function method

We propose a new flame index for the transported probability density function(PDF) method. The flame index uses mixing flux projections of Lagrangian particles on mixture fraction and progress variable directions as the metrics to identify the combustion mode, with the Burke-Schumann solution as a reference. A priori validation of the flame index is conducted with a series of constructed turbulent partially premixed reactors. It indicates that the proposed flame index is able to identify the combustion mode based on the subgrid mixing information. The flame index is then applied the large eddy simulation/PDF datasets of turbulent partially premixed jet flames. Results show that the flame index separate different combustion modes and extinction correctly. The proposed flame index provides a promising tool to analyze and model the partially premixed flames adaptively.     

Heat Transfer Modeling in the Context of Large Eddy Simulation of Premixed Combustion with Tabulated Chemistry

Tabulated chemistry models like the Flamelet Generated Manifolds method are a good approach to include detailed information on the reaction kinetics in a turbulent flame at reasonable computational costs. However, so far, not all information on e.g. heat losses are contained in these models. As those often appear in typical technical applications with enclosed flames in combustion chambers, extensions to the standard FGM approach will be presented in this paper, allowing for the representation of non-adiabatic boundaries. The enthalpy as additional control variable for the table access is introduced, such that the chemistry database becomes three-dimensional with mixture fraction, reaction progress variable and enthalpy describing the thermo-chemical state. The model presented here is first validated with a two-dimensional enclosed Bunsen flame and then applied within the Large Eddy Simulations of a turbulent premixed swirl flame with a water-cooled bluff body and a turbulent stratified flame, where additional modeling for the flame structure using artificially thickened flames was included. The results are encouraging, as the temperature decrease towards the bluff body in the swirl flame and the cooling of the pilot flame exhaust gases in the stratified configuration can be observed in both experiments and simulation.     

Joint RANS/LES Approach to Premixed Flame Modelling in the Context of the TFC Combustion Model

We present an original timesaving joint RANS/LES approach to simulate turbulent premixed combustion. It is intended mainly for industrial applications where LES may not be practical. It is based on successive RANS/LES numerical modelling, where turbulent characteristics determined from RANS simulations are used in LES equations for estimation of the subgrid chemical source and viscosity. This approach has been developed using our TFC premixed combustion model, which is based on a generalization of the Kolmogorov’s ideas. We assume existence of small-scale statistically equilibrium structures not only of turbulence but also of the reaction zones. At the same time, non-equilibrium large-scale structures of reaction sheets and turbulent eddies are described statistically by model combustion and turbulence equations in RANS simulations or follow directly without modelling in LES. Assumption of small-scale equilibrium gives an opportunity to express the mean combustion rate (controlled by small-scale coupling of turbulence and chemistry) in the RANS and LES sub-problems in terms of integral or subgrid parameters of turbulence and the chemical time, i.e. the definition of the reaction rate is similar to that of the mean dissipation rate in turbulence models where it is expressed in terms of integral or subgrid turbulent parameters. Our approach therefore renders compatible the combustion and turbulent parts of the RANS and LES sub-problems and yields reasonable agreement between the RANS and averaged LES results. Combining RANS simulations of averaged fields with LES method (and especially coupled and acoustic codes) for simulation of corresponding nonstationary process (and unsteady combustion regimes) is a promising strategy for industrial applications. In this work we present results of simulations carried out employing the joint RANS/LES approach for three examples: High velocity premixed combustion in a channel, combustion in the shear flow behind an obstacle and the impinging flame (a premixed flame attached to an obstacle).     

Finite Rate Chemistry Effects in Highly Sheared Turbulent Premixed Flames

Detailed scalar structure measurements of highly sheared turbulent premixed flames stabilized on the piloted premixed jet burner (PPJB) are reported together with corresponding numerical calculations using a particle based probability density function (PDF) method. The PPJB is capable of stabilizing highly turbulent premixed jet flames through the use of a small stoichiometric pilot that ensures initial ignition of the jet and a large shielding coflow of hot combustion products. Four lean premixed methane-air flames with a constant jet equivalence ratio are studied over a wide range of jet velocities. The scalar structure of the flames are examined through high resolution imaging of temperature and OH mole fraction, whilst the reaction rate structure is examined using simultaneous imaging of temperature and mole fractions of OH and CH₂O. Measurements of temperature and mole fractions of CO and OH using the Raman–Rayleigh–LIF-crossed plane OH technique are used to examine the flame thickening and flame reaction rates. It is found that as the shear rates increase, finite-rate chemistry effects manifest through a gradual decrease in reactedness, rather than the abrupt localized extinction observed in non-premixed flames when approaching blow-off. This gradual decrease in reactedness is accompanied by a broadening in the reaction zone which is consistent with the view that turbulence structures become embedded within the instantaneous flame front. Numerical predictions using a particle-based PDF model are shown to be able to predict the measured flames with significant finite-rate chemistry effects, albeit with the use of a modified mixing frequency.     

Conditional Source-Term Estimation as a Method for Chemical Closure in Premixed Turbulent Reacting Flow

A Conditional Source-term Estimation (CSE) model is used to close the mean reaction rates for a turbulent premixed flame. A product-based reaction progress variable is introduced as the conditioning variable for the CSE method. Different presumed probability density function (PDF) models are studied and a modified version of a laminar flame-based PDF model is proposed. Improved predictions of the variable distribution are obtained. The conditional means of reactive scalars are evaluated with CSE and compared to the direct numerical simulation (DNS). The mean reaction rates in a turbulent premixed flame are evaluated with the CSE model and the presumed PDFs. Comparison of the CSE closure method to DNS shows promising results. This paper was presented at the 2nd ECCOMAS Thematic Conference on Computational Combustion.     

High-resolution computed tomography of a turbulent reacting flow

Computed tomography (CT) has the potential to greatly enhance our understanding of the turbulent flow structures, the combustion chemistry, and the interactions between the two, which challenge us in our attempts to understand and model the details of turbulent combustion. Here, we present high-resolution and fully three-dimensional measurements of the flame surface of a turbulent reacting flow. The CT-reconstructed images show the flame front, at a single instant in time, of a turbulent, premixed propane/air flame. The significance of this powerful experimental tool is to provide new insight into turbulent combustion, allowing for the development of cleaner burning, higher power, and more efficient combustors.     

Linear-Eddy Model Formulated Probability Density Function and Scalar Dissipation Rate Models for Premixed Combustion

A tabulated, pseudo-turbulent Probability Density Function (PDF) model for premixed combustion is proposed. The Linear-Eddy Model (LEM) is used to construct the PDFs for a temperature-based progress variable in a premixed, turbulent methane/air V-flame produced by the Cambridge slot burner. As a second case study, the LEM PDFs are similarly compared to PDFs extracted from Direct Numerical Simulations (DNS) of a turbulent premixed flame. LEM demonstrates the ability to reproduce the salient features from experimental and DNS PDFs; moreover, it is able to better capture turbulent effects than previously suggested laminar flamelet PDF models. The Scalar Dissipation Rate (SDR) for premixed combustion is likewise investigated. The stochastic nature of LEM enables it to mimic the overall behaviors of turbulent reactions inexpensively and qualitatively. Crucially, LEM appears to be well suited for the preprocessing tabulation of PDF and SDR models for a number of premixed combustion simulation strategies.     

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.     

Study of a Filtered Flamelet Formulation for Large Eddy Simulation of Premixed Turbulent Flames

Despite significant advances in the understanding and modelling of turbulent combustion, no general model has been proposed for simulating flames in industrial combustion devices. Recently, the increase in computational possibilities has raised the hope of directly solving the large turbulent scales using large eddy simulation (LES) and capturing the important time-dependant phenomena. However, the chemical reactions involved in combustion occur at very small scales and the modelling of turbulent combustion processes is still required within the LES framework. In the present paper, a recently presented model for the LES of turbulent premixed flames is presented, analysed and discussed. The flamelet hypothesis is used to derive a filtered source term for the filtered progress variable equation. The model ensures proper flame propagation. The effect of subgrid scale (SGS) turbulence on the flame is modelled through the flame-wrinkling factor. The present modelling of the source term is successfully tested against filtered direct numerical simulation (DNS) data of a V-shape flame. Further, a premixed turbulent flame, stabilised behind an expansion, is simulated. The predictions agree well with the available experimental data, showing the capabilities of the model for performing accurate simulations of unsteady premixed flames.     

Topology and Brush Thickness of Turbulent Premixed V-shaped Flames

Topology and brush thickness of turbulent premixed V-shaped flames were investigated using Mie scattering and Particle Image Velocimetry techniques. Mean bulk flow velocities of 4.0, 6.2, and 8.3 m/s along with two fuel-air equivalence ratios of 0.6 and 0.7 were tested in the experiments. Using a novel experimental turbulence generating apparatus, three turbulence intensities of approximately 2 %, 6 %, and 17 % were tested in the experiments. The results show that topology of the flame front is significantly altered by changing the turbulence intensity. Specifically, at relatively small turbulence intensities, the flame fronts feature wrinkles which are symmetric with respect to the vertical axis. At moderate values of turbulence intensities, the flame fronts form cusps. The formation of cusps is more pronounced at large mean bulk flow velocities. The results associated with relatively large turbulence intensity show that flame surfaces feature: mushroom-shaped structures, freely propagating sub-flames, pocket formation, localized extinction, and horn-shaped structures. Analysis of the results show that the flame brush thickness follows a linear correlation with the root-mean-square of the flame front position. The correlation is in agreement with the results of past experimental investigations associated with moderately turbulent premixed V-shaped flames, and holds for the range of turbulence conditions tested. This suggests that the underlying mechanism associated with the dynamics of moderately turbulent premixed V-shaped flames proposed in past studies can potentially be valid for the the wide range of turbulence conditions examined in the present investigation.     

Subgrid Modeling of Turbulent Premixed Flames in the Flamelet Regime

Large eddy simulation (LES) models for flamelet combustion are analyzed by simulating premixed flames in turbulent stagnation zones. ALES approach based on subgrid implementation of the linear eddy model(LEM) is compared with a more conventional approach based on the estimation of the turbulent burning rate. The effects of subgrid turbulence are modeled within the subgrid domain in the LEM-LES approach and the advection (transport between LES cells) of scalars is modeled using a volume-of-fluid (VOF) Lagrangian front tracking scheme. The ability of the VOF scheme to track the flame as a thin front on the LES grid is demonstrated. The combined LEM-LES methodology is shown to be well suited for modeling premixed flamelet combustion. The geometric characteristics of the flame surfaces, their effects on resolved fluid motion and flame-turbulence interactions are well predicted by the LEM-LES approach. It is established here that local laminar propagation of the flamelets needs to be resolved in addition to the accurate estimation of the turbulent reaction rate. Some key differences between LEM-LES and the conventional approach(es) are also discussed. This revised version was published online in July 2006 with corrections to the Cover Date.