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.     

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.     

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.     

Subgrid Linear Eddy Mixing and Combustion Modelling of a Turbulent Nonpremixed Piloted Jet Flame

A linear eddy model for subgrid mixing and combustion has been coupled to a large eddy simulation of the turbulent nonpremixed piloted jet flame (Sandia Flame D). For the combustion reaction, simplified, single-step, irreversible, Arrhenius kinetics are used. The large scale and the subgrid structure of the flow are compared with experimental observations and, where appropriate, with a flamelet model of the flame. The main objective of this work is to demonstrate the feasibility of the LES-LEM approach for determining the structure of the subgrid scalar dissipation rate and the turbulence-chemistry interactions. The results for the large- and subgrid-scale structure of the flow show a reasonable agreement with the experimental observations.     

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).     

Large Eddy Simulation of the Sensitivity of Vortex Breakdown and Flame Stabilisation to Axial Forcing

The effect of axial forcing on the flame/vortex breakdown interaction is studied, with particular focus on the Precessing Vortex Core (PVC). Large Eddy Simulation (LES), together with a filtered flamelet model describing the subgrid combustion, is performed to study a lean premixed flame undergoing mass flow fluctuations in a wide range of frequencies and amplitude. In average, forcing at frequencies lower than the PVC characteristic frequency moves the recirculation zone upstream the combustor in the premixing tube, while higher frequencies do not relevantly affect the flow/flame. With the help of Proper Orthogonal Decomposition (POD) a detailed analysis of the dynamics of the central recirculation zone (CRZ) is performed showing how the excitation at lower frequencies weakens the PVC and allows the flame to propagate upstream. Extended POD is also applied to illustrate the flow/flame interactions during the excitation cycle.     

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.     

Large Eddy Simulations of a Small-Scale Flameless Combustor by Means of Diluted Homogeneous Reactors

A new model for Flameless Combustion (FC) based on the tabulation of diluted homogeneous reactors (DHR) is presented. This model is developed within the Large Eddy Simulations (LES) approach because LES has a good potential for correctly predicting the ternary mixing of FC. In DHR, a ternary mixture of fuel, air and burnt gases at equilibrium is considered as an initial condition for the reactor calculations. The auto-ignition of this mixture is then tabulated as a function of the input parameters which are mixture fraction, fresh gases temperature, dilution fraction, progress variable and enthalpy loss. The enthalpy loss is introduced by decreasing the temperature of the diluting burnt gases. The DHR model is first evaluated over the partially premixed Sandia Flame D. Correct results are obtained for this flame, although CO is overestimated by the model. This discrepancy is attributed to the usage of homogeneous reactors which impedes to account for the influence of scalar dissipation. Secondly, the flameless configuration of Verissimo et al., characterized by a strong enthalpy loss due to wall heat losses, is used to assess the performance of the model. Combustion results are found in correct agreement for temperature and major species. The largest discrepancies are found for CO again, although the axial shape for this species is correctly predicted.     

Large Eddy Simulation of a Propagating Turbulent Premixed Flame

A large eddy simulation of a turbulent premixed flame propagatingthrough a chamber containing a square obstruction is presented anddiscussed. The governing equations for compressible, reacting flowsare Favre filtered and turbulence closure is achieved using thedynamic Smagorinsky subgrid model. A simple flame surface densitymodel based on the flamelet concept is employed for the subgrid scalereaction rate. The simulation gives very good agreement with experimentalresults for the speed and the shape of the flame as it propagates throughthe chamber. The peak pressures, however, are underpredicted by20–30%. Reasons for this are discussed and it is concluded that amore sophisticated combustion model is required for complex flowssuch as this one, if a more accurate prediction of the pressureis to be achieved.     

Turbulence Resolution Scale Dependence in Large-Eddy Simulations of a Jet Flame

The explicit dependence of LES fields on the turbulence resolution scale Δ implies that LES statistics usually vary with Δ and exhibit different convergence behaviors for different types of statistics, flow variables and subgrid LES models. The present work compares the performance of two popular subgrid models—the dynamic Smagorinsky model and the Vreman model—based on the convergence of their LES statistics with respect to Δ for a piloted methane-air (Sandia D) flame. The Δ-dependence of the LES statistics is studied based on five grids with progressively increased resolution ranging from 3 × 10⁵ to about 10.4 × 10⁶ cells. The simulation results show that the resolved velocity statistics converge for the finest grids with some weak Δ-dependence observed in the variance fields. The mixture fraction statistics are found to be more sensitive to the turbulence resolution scale upstream in the flame signifying the importance of the estimation of the Δ-invariant LES statistics at the DNS limit. For the considered flame the Vreman subgrid model exhibits good performance with the statistics being very close to those given by the dynamic Smagorinsky model, and being rather insensitive to a choice of the model constant.     

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).     

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.     

Simulating turbulence in complex geometries

We first review the state-of-the art in direct numerical simulation and present a new class of spectral methods on unstructured grids for handling complex-geometry domains. Subsequently, we concentrate on the classical problem of the turbulent wake behind a circular cylinder and compare the accuracy of spectral DNS versus other LES results available in the literature. We find that DNS provides consistent agreement with the experimental results, but that LES predictions are inconsistent and depend strongly on the interaction between numerical discretization and the subgrid model. We also demonstrate via a simple vorticity-based analysis of the turbulent near-wake that eddy-viscosity models are inappropriate for sudgrid modeling. In contrast, preliminary a priori tests suggest that scale-similarity models may be a good candidate. We close the paper by forecasting the use of dynamic DNS and comment on its role in simulating turbulence in complex geometries.     

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.     

A computational study of supersonic combustion behind a wedge-shaped flameholder

In this study, large eddy simulation (LES) has been used to examine supersonic flow, mixing, self-ignition and combustion in a model scramjet combustor and has been compared against the experimental data. The LES model is based on an unstructured finite-volume discretization, using monotonicity-preserving flux reconstruction of the filtered mass, momentum, species and energy equations. Both a two-step and a seven-step hydrogen–air mechanism are used to describe the chemical reactions. Additional comparisons are made with results from a previously presented flamelet model. The subgrid flow terms are modeled using a mixed model, whereas the subgrid turbulence–chemistry interaction terms are modeled using the partially stirred reactor model. Simulations are carried out on a scramjet model experimentally studied at Deutsches Zentrum für Luft- und Raumfahrt consisting of a one-sided divergent channel with a wedge-shaped flame holder at the base of which hydrogen is injected. The LES predictions are compared with experimental data for velocity, temperature, wall pressure at different cross sections as well as schlieren images, showing good agreement for both first- and second-order statistics. In addition, the LES results are used to illustrate and explain the intrinsic flow, and mixing and combustion features of this combustor.     

Grid Resolution Effects on VSFMDF/LES

The grid dependence of LES/VSFMDF is studied on a series of grids with progressively increased resolution reaching over 10 million grids for simulation of a turbulent piloted nonpremixed methane jet flame (Sandia D). In VSFMDF, the effects of the subgrid scale chemical reaction and convection appear in closed forms. The modeled transport equation for the VSFMDF is solved by a hybrid finite-difference/Monte Carlo scheme. A flamelet model is employed to relate the instantaneous composition to the mixture fraction. The simulated results are assessed via comparison with laboratory data. In addition, the dependence of predicted statistics on the grid size of the simulation is studied. The first order moments converge for the finest grid, but the higher order statistics including the PDFs are more sensitive to the grid resolution.     

Assessing the Predictive Capabilities of Combustion LES as Applied to the Sydney Flame Series

Large Eddy Simulation (LES) and flamelet-based combustion models were applied to four bluff-body stabilized nonpremixed and partially premixed flames selected from the Sydney flame series, based on Masri’s bluff-body test rig (University of Sydney). Three related non-reacting flow cases were also investigated to assess the performance of the LES solver. Both un-swirled and swirled cases were studied exhibiting different flow features, such as recirculation, jet precessing and vortex breakdown. Due to various fuel compositions, flow rates and swirl numbers, the combustion characteristics of the flames varied greatly. On six meshes with different blocking structure and mesh sizes, good prediction of flow and scalar fields using LES/flamelet approaches and known fuel and oxidizer mass fluxes was achieved. The accuracy of predictions was strongly influenced by the combustion model used. All flames were calculated using at least two modeling strategies. Starting with calculations of isothermal flow cases, simple single flamelet based calculations were carried out for the corresponding reacting cases. The combustion models were then adjusted to fit the requirements of each flame. For all flame calculations good agreement of the main flow features with the measured data was achieved. For purely nonpremixed flames burning attached to the bluff-body’s outer edge, flamelet modeling including strain rate effects provided good results for the flow field and for most scalars. The prediction of a partially premixed swirl flame could only be achieved by applying a flamelet-based progress variable approach.     

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.     

A Priori Testing of Flamelet Generated Manifolds for Turbulent Partially Premixed Methane/Air Flames

To reduce high computational cost associated with simulations of reacting flows chemistry tabulation methods like the Flamelet Generated Manifold (FGM) method are commonly used. However, H₂, CO and OH predictions in RANS and LES simulations using the FGM (or a similar) method usually show a substantial deviation from measurements. The goal of this study is to assess the accuracy of low-dimensional FGM databases for the prediction of these species in turbulent, partially-premixed reacting flows. It will be examined to what extent turbulent, partially-premixed jet flames can be described by FGM databases based on premixed or counterflow diffusion flamelets and to what extent the chosen molecular transport model for the flamelet influences the accuracy of species mass fraction predictions in CFD-simulations. For LES and RANS applications a model that accounts for subgrid fluctuations has to be added introducing additional errors in numerical results. A priori analysis of FGM databases enables the exclusion of numerical errors (scheme accuracy, convergence) that occur in CFD simulations as well as the exclusion of errors originating from subgrid modeling assumptions in LES and RANS. Four different FGM databases are compared for H₂O, H₂, CO, CO₂ and OH predictions in Sandia Flames C to F. Species mass fractions will be compared to measurements directly and conditioned on mixture fraction. Special attention is paid to the representation of experimentally observed differential diffusion effects by FGM databases.     

Large eddy simulation of turbulent premixed piloted flame using artificial thickened flame model coupled with tabulated chemistry

A sub-grid scale (SGS) combustion model, which combines the artificial thickened flame (ATF) model with the flamelet generated manifold (FGM) tabulation method, is proposed. Based on the analysis of laminar flame structures, two self-contained flame sensors are used to track the diffusion and reaction processes with different spatial scales in the flame front, respectively. The dynamic formulation for the proposed SGS combustion model is also performed. Large eddy simulations (LESs) of Bunsen flame F3 are used to evaluate the different SGS combustion models. The results show that the proposed SGS model has the ability in predicting the distributions of temperature and velocity reasonably, while the predictions for the distributions of some species need further improvement. The snapshots of instantaneous normalized progress variables reveal that the flame is more remarkably and severely wrinkled at the flame tip for flame F3. More satisfactory results obtained by the dynamic model indicate that it can preserve the premixed flame propagation characteristics better.