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.     

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.     

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.     

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.     

模型燃烧室内瞬态紊流的大涡模拟

本文采用三种不同亚网格尺度模型对带有V型稳定器的模型燃烧室二维瞬态紊流流动进行了大涡模拟。并在交错网格系下用SIMPLE算法和混合差分格式求解离散方程。数值研究拟不同型式入口速度分布和不同亚网格尺度模型下模型燃烧室二维瞬态紊流流场。计算结果表明不同入口速度分布和不同亚网格尺度模型对瞬态流场和出口速度分布有一定的影响。本文通过数值模拟,揭示了V型稳定器后旋涡的产生和脱落过程。通过计算结果及实验数据的比较可知,本文采用的亚网格尺度模型可以用来模拟模型燃烧室紊流流场及稳定器后面回流区的流动情况。     

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.     

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.     

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.     

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).     

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.     

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.     

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.     

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.     

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.     

Large-eddy simulation of wing tip vortex in the near field

Large-eddy simulation with filtered-structure-function subgrid model and implicit large-eddy simulation (ILES without explicit subgrid model) using high-order accuracy and high resolution compact scheme have been performed on the tip vortex shedding from a rectangular half-wing with a NACA 0012 airfoil section and a rounded wing tip. The formation of the tip vortex and its initial development in the boundary layer and the near field wake are investigated and analysed in detail. The physics, why the tip vortex, which is originally turbulent in the boundary layer, is re-laminarised and becomes stable and laminar rapidly after shedding in the near field, is revealed by this simulation. The computation also shows the widely used second-order subgrid model is not consistent to six-order compact scheme and would degenerate the six-order LES results to second-order. Therefore, high-order schemes, grid refinement and six-order subgrid models are critical to LES approaches.     

Multi-scale analysis of subgrid stress and energy dissipation in turbulent channel flow

In present study, the subgrid scale （SGS） stress and dissipation for multiscale formulation of large eddy simulation are analyzed using the data of turbulent channel flow at Ret = 180 obtained by direct numerical simulation. It is found that the small scale SGS stress is much smaller than the large scale SGS stress for all the stress components. The dominant contributor to large scale SGS stress is the cross stress between small scale and subgrid scale motions, while the cross stress between large scale and subgrid scale motions make major contributions to small scale SGS stress. The energy transfer from resolved large scales to subgrid scales is mainly caused by SGS Reynolds stress, while that between resolved small scales and subgrid scales are mainly due to the cross stress. The multiscale formulation of SGS models are evaluated a priori, and it is found that the small- small model is superior to other variants in terms of SGS dissipation.     

POD Based Reconstruction of Subgrid Stresses for Wall Bounded Flows Using Neural Networks

A zonal hybrid method for the computation of wall bounded flows was developed. Data from a direct numerical simulation of channel flow at Reynolds number 500 were filtered and the resulting subgrid stresses expanded in a series using proper orthogonal decomposition. The series was truncated. A feed forward neural network was found to be superior to linear stochastic estimation for estimating the coefficient of the series. The neural network and the orthonormal base from the expansion were shown by a priori tests to be suitable as a subgrid model for the innermost part of a boundary layer. The system was applied together with a Smagorinsky subgrid model to channel flow at Reynolds number 500 with good results. Possible improvements and generalization to other types of flows and higher Reynolds numbers are discussed.     

Extension du modèle d'échelles mixtes à la diffusivité de sous-maille

In the large-eddy simulation frame for non-isothermal turbulent flow, the Mixed Scale Model is extended to the subgrid diffusivity, in order to dissociate the computation of subgrid viscosity and diffusivity. The identification of the subgrid thermal dissipation term in the subgrid flux transport equation leads to an algebraic expression of the subgrid diffusivity. This diffusive model, as the Smagorinsky one, is weighted by a model based on scale similarity. This expression leads to satisfactory results when applied to a buoyant turbulent flow in a differentially heated cavity.     

Evaluation of Smagorinsky‐based subgrid‐scale models in a finite‐volume computation

Smagorinsky‐based models are assessed in a turbulent channel flow simulation at Re_b=2800 and Re_b=12500. The Navier–Stokes equations are solved with three different grid resolutions by using a co‐located finite‐volume method. Computations are repeated with Smagorinsky‐based subgrid‐scale models. A traditional Smagorinsky model is implemented with a van Driest damping function. A dynamic model assumes a similarity of the subgrid and the subtest Reynolds stresses and an explicit filtering operation is required. A top‐hat test filter is implemented with a trapezoidal and a Simpson rule. At the low Reynolds number computation none of the tested models improves the results at any grid level compared to the calculations with no model. The effect of the subgrid‐scale model is reduced as the grid is refined. The numerical implementation of the test filter influences on the result. At the higher Reynolds number the subgrid‐scale models stabilize the computation. An analysis of an accurately resolved flow field reveals that the discretization error overwhelms the subgrid term at Re_b=2800 in the most part of the computational domain. Copyright © 2002 John Wiley & Sons, Ltd.