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.     

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.     

One-Dimensional Modeling of Turbulent Premixed Jet Flames - Comparison to DNS

The one-dimensional turbulence (ODT) model, formulated in an Eulerian reference frame, is applied to a temporally-evolving premixed turbulent hydrogen plane-jet flame and results are compared with direct numerical simulation (DNS) data. This is the first published study to perform direct comparisons of ODT to DNS for premixed flames. The ODT model solves the full set of conservation equations for mass, momentum, energy, and species on a one-dimensional domain corresponding to the transverse jet direction. The effects of turbulent mixing are modeled via a stochastic process, while the full range of diffusive-reactive length and time scales are resolved directly on the one-dimensional domain. A detailed chemical mechanism for hydrogen combustion consisting of 9 species and 21 reactions and a mixture-averaged transport model are used (consistent with the DNS). Cases with two different Damköhler numbers are considered and comparisons between the ODT and DNS data are shown with respect to flow dynamics and thermochemistry. The ODT compared favorably with the DNS in terms of the overall entrainment as judged by the streamwise velocity profile and in terms of local flamelet structure as judged by progress-variable conditional reaction and scalar dissipation rates. While the ODT agreed qualitatively with the overall flame evolution, the net fuel consumption rate was somewhat over-predicted for a brief early period and under-predicted later on, leading to an overly long flame burnout time. It was demonstrated that adjusting a parameter controlling the selection of large eddies improved the prediction of the peak fuel consumption rate and overall reaction progress but worsened the prediction of jet entrainment. An analysis of the 1D nature of ODT is presented that suggests the FSD in ODT needs to be much higher than the FSD in the DNS in order to achieve the same overall burning rate, suggesting that the FSD is under-predicted by a significant fraction. While the success of the ODT in reproducing many of the salient features of nonpremixed flames has been demonstrated, the current study suggests that improvements are needed when applied to premixed flames. It is also important to note that the DNS required approximately 40×10⁶ CPU hours while the ODT required approximately 10³ CPU hours.     

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.     

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.     

Dynamic Response of Swirl Stabilized Turbulent Premixed Flames Based on the Helmholtz-Hodge Velocity Decomposition

The dynamic response of fully premixed flames stabilized in strongly swirled flows undergoing vortex breakdown is investigated with axisymmetric unsteady RANS simulations. The analysis relies on the well known Helmholtz-Hodge decomposition of the velocity field into its irrotational and rotational components. A novel methodology based on the linearization of the progress variable transport equation is developed to determine the separate contribution of these velocity components to the Flame Transfer Function (FTF). Due to the phase delay between the convected tangential velocity and instantaneously propagating axial velocity perturbations, a non-monotonic frequency dependence of the swirl number amplitude downstream the swirl generator is detected. In line with experimental observations, such non-monotonic frequency dependence is found also for the amplitude and phase of the FTF. This behaviour is associated here with rotational velocity perturbations generated by the Central Recirculation Zone (CRZ) generated by the phenomenon of vortex breakdown which, responding in a fashion totally similar to the swirl number perturbation, produces flame surface area fluctuations with the same distribution versus frequency.     

Joint PDF Closure of Turbulent Premixed Flames

In this paper, a novel model for turbulent premixed combustion in the corrugated flamelet regime is presented, which is based on transporting a joint probability density function (PDF) of velocity, turbulence frequency and a scalar vector. Due to the high dimensionality of the corresponding sample space, the PDF equation is solved with a Monte-Carlo method, where individual fluid elements are represented by computational particles. Unlike in most other PDF methods, the source term not only describes reaction rates, but accounts for “ignition” of reactive unburnt fluid elements due to propagating embedded quasi laminar flames within a turbulent flame brush. Unperturbed embedded flame structures and a constant laminar flame speed (as expected in the corrugated flamelet regime) are assumed. The probability for an individual particle to “ignite” during a time step is calculated based on an estimate of the mean flame surface density (FSD), latter gets transported by the PDF method. Whereas this model concept has recently been published [21], here, a new model to account for local production and dissipation of the FSD is proposed. The following particle properties are introduced: a flag indicating whether a particle represents the unburnt mixture; a flame residence time, which allows to resolve the embedded quasi laminar flame structure; and a flag indicating whether the flame residence time lies within a specified range. Latter is used to transport the FSD, but to account for flame stretching, curvature effects, collapse and cusp formation, a mixing model for the residence time is employed. The same mixing model also accounts for molecular mixing of the products with a co-flow. To validate the proposed PDF model, simulation results of three piloted methane-air Bunsen flames are compared with experimental data and very good agreement is observed.     

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.     

Linear Eddy Mixing Model Studies of High Karlovitz Number Turbulent Premixed Flames

Turbulent premixed flames exhibit different structural and propagation characteristics with increasing upstream turbulence intensity starting from thin wrinkled flames in the Corrugated Flamelet regimes to a flame with a thicker preheat zone in the Thin Reaction Zone Regime (TRZ) and finally, becoming more disorganized or broken in the Distributed or Broken Reaction Zone (D/BRZ) regimes under intense turbulence. A single comprehensive predictive model that can span all regimes does not currently exist, and in this study we explore the ability of the stand-alone one-dimensional linear-eddy mixing (LEM) model to simulate the flames in all these regimes. Past applications of this 1DLEM model have demonstrated reasonable predictions in the flamelet and TRZ regimes and here, new experiments in the TRZ regime are specifically addressed to evaluate the predictive capability of this model. Additional simulations in the D/BRZ regimes (where no data is currently available) are performed to determine if the model can be extended to the high turbulence regime. Comparison with the data in the TRZ regime shows satisfactory agreement. Analysis suggests varying levels of preheat zone broadening in all the TRZ and D/BRZ cases. While the average heat release distribution for the TRZ cases is nearly identical to the laminar unstrained baseline, changes to the species and heat release distribution are observed only at a high Karlovitz Number K a > 10³. In the D/BRZ regime it is shown that the transition is related to enhanced turbulent diffusion that dominates molecular diffusion effects causing deviations from the laminar baseline.     

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.     

Transient Behavior of Turbulent Scalar Transport in Premixed Flames

Transition from gradient to countergradient scalar transport in a statistically planar, one-dimensional, developing, premixed turbulent flame is studied both theoretically and numerically. A simple criterion of the transition referred to is derived from the balance equation for the combustion progress variable, with the criterion highlighting an important role played by flame development. A balance equation for the difference in velocities $\bar{u}_b$ and $\bar{u}_u$ conditioned on burned and unburned mixture, respectively, is numerically integrated. Both analytical and computed results show that; (1) The flux $\overline{\rho u'' c''}$ is gradient during an early stage of flame development followed by transition to countergradient scalar transport at certain instant t _tr . (2) The transition time is increased when turbulence length scale L is increased or when the laminar flame speed S _L and/or the density ratio are decreased. (3) The transition time normalized using the turbulence time scale is increased by u??. Moreover, the numerical simulations have shown that the transition time is increased by u?? if a ratio of u??/S _L is not large. This dependence of t _tr on u?? is substantially affected by (i) the mean pressure gradient induced within the flame due to heat release and (ii) by the damping effect of combustion on the growth rate of mean flame brush thickness. The reasonable qualitative agreement between the computed trends and available experimental and DNS data, as well as the agreement between the computed trends and the present theoretical results, lends further support to the conditioned balance equation used in the present work.     

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.     

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 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.     

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.     

LES of the Sandia Flame D Using Laminar Flamelet Decomposition for Conditional Source-Term Estimation

A variation of the Laminar Flamelet Decomposition (LFD) method for the Conditional Source Term (CSE) model developed by Bushe and Steiner (Phys Fluids 15:1564–1575, 2003) is implemented into an existing LES code. In this approach, the set of basis functions, on which the decomposition is based, is reduced using the mixture fraction dissipation rate as external parameter for the selection. It was found that reducing the basis improves and stabilises the inversion, resulting in reasonably accurate approximation for the average conditional quantities. Some modifications have been introduced to improve the inversion process by reducing the number of flamelets. This modification is found to help stabilize the inversion and keep the dimension of the linear system small. The model is used to simulate the turbulent non-premixed piloted SANDIA Flame D. Reasonably good predictions for conditional and unconditional average variables were found for different planes and at centreline of the flow field. However, an over prediction of the consumption rate in the near field of the flame is found, which may be partially attributed to the use of the Steady Laminar Flamelets (SLF) as functions for the decomposition and the use of a constant boundary condition for the species mass fractions in solving the flamelets. The present simulation of a turbulent reacting jet is the first test of the LFD approach in a realistic scenario using only the temperature field to calculate the inversion. The model is found to be computationally inexpensive.     

A Numerical Study Promoting Algebraic Models for the Lewis Number Effect in Atmospheric Turbulent Premixed Bunsen Flames

This numerical investigation carried out on turbulent lean premixed flames accounts for two algebraic – the Lindstedt–Vaos (LV) and the classic Bray–Moss–Libby (BML) – reaction rate models. Computed data from these two models is compared with the experimental data of Kobayashi et al. on 40 different methane, ethylene and propane Bunsen flames at 1 bar, where the mean flame cone angle is used for comparison. Both models gave reasonable qualitative trend for the whole set of data, in overall. In order to characterize quantitatively, firstly, corrections are made by tuning the model parameters fitting to the experimental methane–air (of Le = 1.0) flame data. In case of the LV model, results obtained by adjusting the pre-constant, i.e., reaction rate parameter, C_R, from its original value 2.6 to 4.0, has proven to be in good agreement with the experiments. Similarly, for the BML model, with the tuning of the exponent n, in the wrinkling length scale, L_y = C_l⋅ l_x(s_L/u′)ⁿ from value unity to 1.2, the outcome is in accordance with the measured data. The deviation between the measured and calculated data sharply rises from methane to propane, i.e., with increasing Lewis number. It is deduced from the trends that the effect of Lewis number (for ethylene–air mixtures of Le = 1.2 and propane–air mixtures of Le = 1.62) is missing in both the models. The Lewis number of the fuel–air mixture is related to the laminar flame instabilities. Second, in order to quantify for its influence, the Lewis number effect is induced into both the models. It is found that by setting global reaction rate inversely proportional to the Lewis number in both the cases leads to a much better numerical prediction to this set of experimental flame data. Thus, by imparting an important phenomenon (the Lewis number effect) into the reaction rates, the generality of the two models is enhanced. However, functionality of the two models differs in predicting flame brush thickness, giving scope for further analysis.