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).     

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.     

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).     

Modelling of a Premixed Swirl-stabilized Flame Using a Turbulent Flame Speed Closure Model in LES

This paper proposes a combustion model based on a turbulent flame speed closure (TFC) technique for large eddy simulation (LES) of premixed flames. The model was originally developed for the RANS (Reynolds Averaged Navier Stokes equations) approach and was extended here to LES. The turbulent quantities needed for calculation of the turbulent flame speed are obtained at the sub grid level. This model was at first experienced via an test case and then applied to a typical industrial combustor with a swirl stabilized flame. The paper shows that the model is easy to apply and that the results are promising. Even typical frequencies of arising combustion instabilities can be captured. But, the use of compressible LES may also lead to unphysical pressure waves which have their origin in the numerical treatment of the boundary conditions.     

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.     

Large Eddy Simulation of Turbulent Premixed Swirling Flames Using Dynamic Thickened Flame with Tabulated Detailed Chemistry

A sub-grid scale (SGS) combustion model by combining dynamic thickened flame (DTF) with flamelet generated manifolds (FGM) tabulation approach (i.e. DTF-FGM) is developed for investigating turbulent premixed combustion. In contrast to the thickened flame model, the dynamic thickening factor of the DTF model is determined from the flame sensor, which is obtained from the normalized gradient of the reaction progress variable from the one-dimensional freely propagating premixed flame simulations. Therewith the DTF model can ensure that the thickening of the flame is limited to the regions where it is numerically necessary. To describe the thermo-chemistry states, large eddy simulation (LES) transport equations for two characteristic scalars (the mixture fraction and the reaction progress variable) and relevant sub-grid variances in the DTF-FGM model are presented. As to the evaluation of different SGS combustion models, another model by utilizing the combination of presumed probability density function (PPDF) and FGM (i.e. PPDF-FGM) is also described. LES of two cases with or without swirl in premixed regime of the Cambridge swirl burner flames are performed to evaluate the developed SGS combustion model. The predicted results are compared with the experimental data in terms of the influence of different LES grids, model sensitivities to the thickening factor, the wrinkling factor, and the PPDF of characteristic scalars, the evaluation of different modelling approaches for the sub-grid variances of characteristic scalars, and the predictive capability of different SGS combustion models. It is shown that the LES results with the DTF-FGM model are in reasonable agreement with the experimental data, and better than the results with the PPDF-FGM approach due to its ability to predict better in regions where flame is not resolved.     

LES of Low to High Turbulent Combustion in an Elevated Pressure Environment

A subgrid scale flame surface density combustion model for the Large Eddy Simulation (LES) of premixed combustion is derived and validated. The model is based on fractal characteristics of the flame surface, assuming a self similar wrinkling of the flame between smallest and largest wrinkling length scales. Experimental and direct numerical simulation databases as well as theoretical models are used to derive a model for the fractal parameters, namely the cut-off lengths and the fractal dimension suitable in the LES context. The combustion model is designed with the intent to simulate low as well as high Reynolds number premixed turbulent flame propagation and with a focus on correct scaling with pressure. The combustion model is validated by simulations of turbulent Bunsen flames with methane and propane fuel at pressure levels between 0.1 MPa and 2 MPa and at turbulence levels of $0 < u^{\prime }/s_{L}^{0} < 11$ , conditions typical for spark ignition engines. The predicted turbulent flame speed is in a very good agreement with the experimental data and a smooth transition from resolved flame wrinkling to fully modelled, nearly subgrid-only wrinkling is realized. Evaluating the influence of mesh resolution shows a predicted mean flame surface and turbulent flame speed independent of mesh resolution for cases with 9–86 % resolved flame surface. Additional simulations of a highly turbulent jet flame at 0.1 MPa and 0.5 MPa and the comparison with experimental data in terms of flame shape, velocity field and turbulent fluctuations validates the model also at conditions typical for gas turbines.     

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.     

Resolution Requirements in Stochastic Field Simulation of Turbulent Premixed Flames

The spatial resolution requirements of the Stochastic Fields probability density function approach are investigated in the context of turbulent premixed combustion simulation. The Stochastic Fields approach is an attractive way to implement a transported Probability Density Function modelling framework into Large Eddy Simulations of turbulent combustion. In premixed combustion LES, the numerical grid should resolve flame-like structures that arise from solution of the Stochastic Fields equation. Through analysis of Stochastic Fields simulations of a freely-propagating planar turbulent premixed flame, it is shown that the flame-like structures in the Stochastic Fields simulations can be orders of magnitude narrower than the LES filter length scale. The under-resolution is worst for low Karlovitz number combustion, where the thickness of the Stochastic Fields flame structures is on the order of the laminar flame thickness. The effect of resolution on LES predictions is then assessed by performing LES of a laboratory Bunsen flame and comparing the effect of refining the grid spacing and filter length scale independently. The usual practice of setting the LES filter length scale equal to grid spacing leads to severe under-resolution and numerical thickening of the flame, and to substantial error in the turbulent flame speed. The numerical resolution required for accurate solution of the Stochastic Fields equations is prohibitive for many practical applications involving high-pressure premixed combustion. This motivates development of a Thickened Stochastic Fields approach (Picciani et al. Flow Turbul. Combust. X, YYY (2018) in order to ensure the numerical accuracy of Stochastic Fields simulations.     

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.     

Large-Eddy Simulation of Lean Premixed Turbulent Flames of Three Different Combustion Configurations using a Novel Reaction Closure

This large eddy simulation (LES) study is applied to three different premixed turbulent flames under lean conditions at atmospheric pressure. The hierarchy of complexity of these flames in ascending order are a simple Bunsen-like burner, a sudden-expansion dump combustor, and a typical swirl-stabilized gas turbine burner–combustor. The purpose of this paper is to examine numerically whether the chosen combination of the Smagorinsky turbulence model for sgs fluxes and a novel turbulent premixed reaction closure is applicable over all the three combustion configurations with varied degree of flow and turbulence. A quality assessment method for the LES calculations is applied. The cold flow data obtained with the Smagorinsky closure on the dump combustor are in close proximity with the experiments. It moderately predicts the vortex breakdown and bubble shape, which control the flame position on the double-cone burner. Here, the jet break-up at the root of the burner is premature and differs with the experiments by as much as half the burner exit diameter, attributing the discrepancy to poor grid resolution. With the first two combustion configurations, the applied subgrid reaction model is in good correspondence with the experiments. For the third case, a complex swirl-stabilized burner–combustor configuration, although the flow field inside the burner is only modestly numerically explored, the level of flame stabilization at the junction of the burner–combustor has been rather well captured. Furthermore, the critical flame drift from the combustor into the burner was possible to capture in the LES context (which was not possible with the RANS plus k–ɛ model), however, requiring tuning of a prefactor in the reaction closure.     

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.     

A Thickened Stochastic Fields Approach for Turbulent Combustion Simulation

The Stochastic Fields approach is an effective way to implement transported Probability Density Function modelling into Large Eddy Simulation of turbulent combustion. In premixed turbulent combustion however, thin flame-like structures arise in the solution of the Stochastic Fields equations that require grid spacing much finer than the filter scale used for the Large Eddy Simulation. The conventional approach of using grid spacing equal to the filter scale yields substantial numerical error, whereas using grid spacing much finer than the filter length scale is computationally-unaffordable for most industrially-relevant combustion systems. A Thickened Stochastic Fields approach is developed in this study in order to provide physically-accurate and numerically-converged solutions of the Stochastic Fields equations with reduced compute time. The Thickened Stochastic Fields formulation bridges between the conventional Stochastic Fields and conventional Thickened-Flame approaches depending on the numerical grid spacing utilised. One-dimensional Stochastic Fields simulations of freely-propagating turbulent premixed flames are used in order to obtain criteria for the thickening factor required, as a function of relevant physical and numerical parameters, and to obtain a model for an efficiency function that accounts for the loss of resolved flame surface area caused by applying the thickening transformation to the Stochastic Fields equations. The Thickened Stochastic Fields formulation is tested by performing LES of a laboratory premixed Bunsen flame. The results demonstrate that the Thickened Stochastic Fields method produces accurate predictions even when using a grid spacing equal to the filter scale. The present development therefore facilitates the accurate application of the Stochastic Fields approach to industrially-relevant combustion systems.     

Flow Physics of a Bluff-Body Swirl Stabilized Flame and their Prediction by Means of a Joint Eulerian Stochastic Field and Tabulated Chemistry Approach

In the frame of this work a transported joint scalar probability density function (PDF) method is combined with the flamelet generated manifolds (FGM) tabulated chemistry approach for large eddy simulation (LES) modeling of a three-dimensional turbulent premixed swirl burner. This strategy accounts for the turbulence-chemistry interaction at reasonable computational costs. At the same time, it allows the usage of detailed chemistry mechanisms for the creation of the chemical database. The simulation results obtained are comparatively assessed along with complementary measurements. Furthermore, transient and time-averaged data are used to provide insight into the flow physics of the bluff-body swirl stabilized flame considered. The sensitivity of the results to different modeling approaches regarding the predicted flame shape and its dynamics is also investigated, where the implemented approach is compared with the well-established artificially thickened flame (ATF) combustion model. Consequently, the investigation conducted in this work aims to provide a complete picture on the ability of the proposed combustion model to reproduce the flow conditions within complex bluff-body swirl stabilized flames.     

Developments in Formulation and Application of the Filtered Density Function

An overview is presented of the state of progress in large eddy simulation of turbulent combustion via the filtered density function (FDF). This includes the formulations based on both the joint velocity-scalar FDF, and the marginal scalar FDF. In the former, the most up-to-date and comprehensive form of the model is presented along with its applications for LES of some relatively simple flows. In the latter, results are presented of the most recent LES of a complex turbulent flame. Both of the models are described in the context of a variable density flow via consideration of the filtered mass density function (FMDF).Presented at the Workshop on Quality Assessment of Unsteady Methods for Turbulent Combustion, Darmstadt, Germany, June 16–17, 2005.     

Large Eddy Simulation of Stratified and Sheared Flames of a Premixed Turbulent Stratified Flame Burner Using a Flamelet Model with Heat Loss

This paper presents large eddy simulations (LES) of the Darmstadt turbulent stratified flame burner (TSF) at different operating conditions including detailed heat loss modeling. The target cases are a non-reacting and two reacting cases. Both reacting cases are characterized by stratification, while one flame additionally features shear. In the regime diagram for premixed combustion, the studied flames are found at the border separating the thin reaction zones regime and the broken reaction zones regime. A coupled level set/progress variable model is utilized to describe the combustion process. To account for heat loss, an enthalpy defect approach is adopted and reformulated to include differential diffusion effects. A novel power-law rescaling methodology is proposed to integrate the enthalpy defect approach into the level set/progress variable model which is extensively validated in two validation scenarios. It is demonstrated that the LES with the newly developed model captures the influence of heat loss well and that the incorporation of heat loss effects improves the predictions of the TSF-burner over adiabatic simulations, while reproducing the experimentally observed flame lift-off from the pilot nozzle.     

Large-Scale Turbulent Vortical Structures inside a Sudden Expansion Cylinder Chamber

A large eddy simulation (LES) is performed for turbulent flow around a bluff body inside a sudden expansion cylinder chamber, a configuration which resembles a premixed gas turbine combustor. To promote turbulent mixing and to accommodate flame stability, a flame holder is installed inside the combustion chamber. The Smagorinsky model and the Lagrangian dynamic subgrid-scale model are employed and tested. The calculated Reynolds number is 5,000 based on the bulk velocity and the diameter of inlet pipe. The simulation code is constructed by using a general coordinate system based on the physical contravariant velocity components. The predicted turbulent statistics are evaluated by comparing with the laser-doppler velocimetry (LDV) measurement data. The agreement of LES with the experimental data is shown to be satisfactory. Emphasis is placed on the time-dependent evolutions of turbulent vortical structures behind the flame holder. The numerical flow visualizations depict the behavior of large-scale vortices. The turbulent behavior behind the flame holder is analyzed by visualizing the sectional views of vortical structure. This revised version was published online in July 2006 with corrections to the Cover Date.     

Conditional Moment Closure for Large Eddy Simulations

A conditional moment closure (CMC) based combustion model for large-eddy simulations (LES) of turbulent reacting flow is proposed and evaluated. Transport equations for the conditionally filtered species are derived that are consistent with the LES formulation and closures are suggested for the modelling of the conditional velocity, conditional scalar dissipation and the fluctuations around the conditional mean. A conventional β-probability density distribution of the scalar is used together with dynamic modelling for the sub-grid fluxes. The model is validated by comparison of simulations with measurements of a piloted, turbulent methane-air jet diffusion flame.     

Large Eddy Simulation of Reactive Two-Phase Flow in an Aeronautical Multipoint Burner

Because of compressibility criteria, fuel used in aeronautical combustors is liquid. Their numerical simulation therefore requires the modeling of two-phase flames, involving key phenomena such as injection, atomization, polydispersion, drag, evaporation and turbulent combustion. In the present work, particular modeling efforts have been made on spray injection and evaporation, and their coupling to turbulent combustion models in the Large Eddy Simulation (LES) approach. The model developed for fuel injection is validated against measurements in a non-evaporating spray in a quiescent atmosphere, while the evaporation model accuracy is discussed from results obtained in the case of evaporating isolated droplets. These models are finally used in reacting LES of a multipoint burner in take-off conditions, showing the complex two-phase flame structure.     

LES Modeling of the Impact of Heat Losses and Differential Diffusion on Turbulent Stratified Flame Propagation: Application to the TU Darmstadt Stratified Flame

Common combustion chambers often exhibit turbulent flames propagating in partially-premixed mixtures. This propagation is generally governed by aerodynamics, unsteady mixing and chemical processes and may also be affected by conductive heat losses when the reactive zone develops close to the burner lips. The Filtered TAbulated Chemistry for Large Eddy Simulation (F-TACLES) model has been recently developed to include tabulated chemistry in Large Eddy Simulation (LES) of adiabatic stratified flames in flamelet regimes. The present article proposes a modeling approach to account for both differential diffusion and non-adiabatic effects on flame consumption speed following the F-TACLES formalism. The adiabatic F-TACLES model is first detailed using a generalized formalism for diffusive fluxes allowing either to account for differential diffusion or not. The F-TACLES model is then extended to non-adiabatic situations. A correction factor based on the non-adiabatic consumption rate is introduced to recover a realistic filtered flame consumption speed. The objective is here to tackle flame stabilization mechanisms when heat losses affect the reaction zone. The proposed approach is validated through the simulation of the unconfined stratified turbulent jet flame TSF-A for which stabilization process is affected by heat losses. Five simulations are performed for both adiabatic and non-adiabatic flow conditions comparing unity Lewis number and complex diffusion assumptions. The adiabatic F-TACLES model predicts a flame anchored at the burner lip disagreeing with experimental data. The non-adiabatic simulation exhibits local extinction due to heat losses near the burner exit. The flame is then lifted improving the comparison with experiments. Results also show a significant impact of molecular diffusion model on both mean flame consumption rate and angle.