Large eddy simulation of a turbulent nonpremixed piloted methane jet flame (Sandia Flame D)

Large eddy simulation (LES) is conducted of the Sandia Flame D [Proc. Combust. Inst. 27 (1998) 1087, Sandia National Laboratories (2004)], which is a turbulent piloted nonpremixed methane jet flame. The subgrid scale (SGS) closure is based on the scalar filtered mass density function (SFMDF) methodology [J. Fluid Mech. 401 (1999) 85]. The SFMDF is basically the mass weighted probability density function (PDF) of the SGS scalar quantities [Turbulent Flows (2000)]. For this flame (which exhibits little local extinction), a simple flamelet model is used to relate the instantaneous composition to the mixture fraction. The modelled SFMDF transport equation is solved by a hybrid finite-difference/Monte Carlo scheme. This is the first LES of a realistic turbulent flame using the transported PDF method as the SGS closure. The results via this method capture important features of the flame as observed experimentally.     

Investigation of lengthscales, scalar dissipation, and flame orientation in a piloted diffusion flame by LES

This work investigates the structure of a diffusion flame in terms of lengthscales, scalar dissipation, and flame orientation by using large eddy simulation. This has been performed for a turbulent, non-premixed, piloted methane/air jet flame (Flame D) at a Reynolds-number of 22,400. A steady flamelet model, which was represented by artificial neural networks, yields species mass fractions, density, and viscosity as a function of the mixture fraction. This will be shown to suffice to simulate such flames. To allow to examine scalar dissipation, a grid of 1.97 × 10⁶ nodes was applied that resolves more than 75% of the turbulent kinetic energy. The accuracy of the results is assessed by varying the grid-resolution and by comparison to experimental data by Barlow, Frank, Karpetis, Schneider (Sandia, Darmstadt), and others. The numerical procedure solves the filtered, incompressible transport equations for mass, momentum, and mixture fraction. For subgrid closure, an eddy viscosity/diffusivity approach is applied, relying on the dynamic Germano model. Artificial turbulent inflow velocities were generated to feature proper one- and two-point statistics. The results obtained for both the one- and two-point statistics were found in good agreement to the experimental data. The PDF of the flame orientation shows the tilting of the flame fronts towards the centerline. Finally, the steady flamelet approach was found to be sufficient for this type of flame unless slowly reacting species are of interest.     

Large eddy simulation of turbulent premixed combustion using tabulated detailed chemistry and presumed probability density function

A method of chemistry tabulation combined with presumed probability density function (PDF) is applied to simulate piloted premixed jet burner flames with high Karlovitz number using large eddy simulation. Thermo-chemistry states are tabulated by the combination of auto-ignition and extended auto-ignition model. To evaluate the predictive capability of the proposed tabulation method to represent the thermo-chemistry states under the condition of different fresh gases temperature, a-priori study is conducted by performing idealised transient one-dimensional premixed flame simulations. Presumed PDF is used to involve the interaction of turbulence and flame with beta PDF to model the reaction progress variable distribution. Two presumed PDF models, Dirichlet distribution and independent beta distribution, respectively, are applied for representing the interaction between two mixture fractions that are associated with three inlet streams. Comparisons of statistical results show that two presumed PDF models for the two mixture fractions are both capable of predicting temperature and major species profiles, however, they are shown to have a significant effect on the predictions for intermediate species. An analysis of the thermo-chemical state-space representation of the sub-grid scale (SGS) combustion model is performed by comparing correlations between the carbon monoxide mass fraction and temperature. The SGS combustion model based on the proposed chemistry tabulation can reasonably capture the peak value and change trend of intermediate species. Aspects regarding model extensions to adequately predict the peak location of intermediate species are discussed.     

A priori analysis of sub-grid variance of a reactive scalar using DNS data of high Ka flames

Direct numerical simulations (DNS) of low and high Karlovitz number (Ka) flames are analysed to investigate the behaviour of the reactive scalar sub-grid scale (SGS) variance in premixed combustion under a wide range of combustion conditions (regimes). An order of magnitude analysis is performed to assess the importance of various terms in the variance evolution equation and the analysis is validated using the DNS results. This analysis sheds light on the relative behaviour among turbulent transport and production, scalar dissipation and chemical processes involved in the evolution of the SGS variance at different Ka. The common expectation is that the variance equation shifts from a reaction-dissipation balance at low Ka to a production–dissipation balance at high Ka with diminishing reaction contribution. However, in large eddy simulation (LES), a high Ka alone does not make the reaction term negligible, as the relative importance of the reaction term has a concurrent increase with filter size. The filter size can be relatively large compared with the Kolmogorov length scale in practical LES of high Ka flames, and as a consequence a reaction–production–dissipation balance may prevail in the variance equation even in a high Ka configuration, and this possibility is quantified using the DNS analysis in this work. This has implications from modelling perspectives, and therefore two commonly used closures in LES for the SGS scalar dissipation rate are investigated a priori to estimate the importance of the above balance in LES modelling. The results are explained to highlight the interplay among turbulence, chemistry and dissipation processes as a function of Ka.     

Grid and subgrid-scale interactions in viscoelastic turbulent flow and implications for modelling

Using direct numerical simulations of turbulent plane channel flow of homogeneous polymer solutions, described by the Finitely Extensible Nonlinear Elastic-Peterlin (FENE-P) rheological constitutive model, a-priori analyses of the filtered momentum and FENE-P constitutive equations are performed. The influence of the polymer additives on the subgrid-scale (SGS) energy is evaluated by comparing the Newtonian and the viscoelastic flows, and a severe suppression of SGS stresses and energy is observed in the viscoelastic flow. All the terms of the transport equation of the SGS kinetic energy for FENE-P fluids are analysed, and an approximated version of this equation for use in future large eddy simulation closures is suggested. The terms responsible for kinetic energy transfer between grid-scale (GS) and SGS energy (split into forward/backward energy transfer) are evaluated in the presence of polymers. It is observed that the probability and intensity of forward scatter events tend to decrease in the presence of polymers.     

Computations of turbulent lean premixed combustion using conditional moment closure

Conditional Moment Closure (CMC) is a suitable method for predicting scalars such as carbon monoxide with slow chemical time scales in turbulent combustion. Although this method has been successfully applied to non-premixed combustion, its application to lean premixed combustion is rare. In this study the CMC method is used to compute piloted lean premixed combustion in a distributed combustion regime. The conditional scalar dissipation rate of the conditioning scalar, the progress variable, is closed using an algebraic model and turbulence is modelled using the standard k–? model. The conditional mean reaction rate is closed using a first order CMC closure with the GRI-3.0 chemical mechanism to represent the chemical kinetics of methane oxidation. The PDF of the progress variable is obtained using a presumed shape with the Beta function. The computed results are compared with the experimental measurements and earlier computations using the transported PDF approach. The results show reasonable agreement with the experimental measurements and are consistent with the transported PDF computations. When the compounded effects of shear-turbulence and flame are strong, second order closures may be required for the CMC.     

Large eddy simulations of turbulent flames using the filtered density function model

Large eddy simulations (LES) of the Sandia/Sydney swirl burners (SM1 and SMA1) and the Sandia/Darmstadt piloted jet diffusion flame (Flame D) are performed. These flames are part of the database of turbulent reacting flows widely considered as benchmark test cases for validating turbulent-combustion models. In the simulations presented in this paper, the subgrid scale (SGS) closure model adopted for turbulence-chemistry interactions is based on the transport filtered density function (FDF) model. In the FDF model, the transport equation for the joint probability density function (PDF) of scalars is solved. The main advantage of this model is that the filtered reaction rates can be exactly computed. However, the density field, computed directly from the FDF solver and needed in the hydrodynamic equations, is noisy and causes numerical instability. Two numerical approaches that yield a smooth density field are examined. The two methods are based on transport equations for specific sensible enthalpy (h_s) and RT, where R is the gas constant and T is the temperature. Consistency of the two methods is assessed in a bluff-body configuration using Reynolds averaged Navier-Stokes (RANS) methodology in conjunction with the transported PDF method. It is observed that the h_s method is superior to the RT method. Both methods are used in LES of the SM1 burner. In the near-field region, the h_s method produces better predictions of temperature. However, in the far-field region, both methods show deviation from data. Simulations of the SMA1 burner and Flame D are also presented using the h_s method. Some deficiencies are seen in the predictions of the SMA1 burner that may be related to the simple chemical kinetics model and mixing model used in the simulations. Simulations of Flame D show good agreement with data. These results indicate that, while further improvements to the methodology are needed, the LES/FDF method has the potential to accurately predict complex turbulent flames.     

Assessment of the presumed mapping function approach for the stationary laminar flamelet modelling of reacting double scalar mixing layers

This paper assesses the Presumed Mapping Function (PMF) approach in the context of the Stationary Laminar Flamelet Modelling (SLFM) of a reacting Double Scalar Mixing Layer (DSML). Starting from a prescribed Gaussian reference field, the PMF approach provides a presumed Probability Density Function (PDF) for the mixture fraction that is subsequently employed to close the Conditional Scalar Dissipation Rate (CSDR) upon doubly-integrating the homogeneous PDF transport equation. The PMF approach is unique in its ability to yield PDF and CSDR distributions that capture the effect of multiple fuel injections of different composition. This distinct feature overcomes the shortcomings of the classical SLFM closures (the β-distribution for the PDF and the counterflow solution for the CSDR). The current study analyses the impact of the binary (two-stream) and trinary (three-stream) PMF approaches on the structure of laminar flamelets in a DSML formed by the mixing of a fuel stream and an oxidiser stream separated by a pilot. The conditions of a partially-premixed methane/air piloted jet flame are considered. A parametric assessment is performed by varying the local mixing statistics and the findings are compared to those of the classical SLFM approach. Further, the influence of the PMF approach on flamelet extinction and transport by means of differential diffusion is thoroughly investigated. It is shown that the trinary PMF approach captures the influence of the pilot stream as it is capable of yielding bimodal CSDR and trimodal PDF distributions. It is further demonstrated that, when the influence of the pilot is significant, flamelets generated using the trinary CSDR closure extinguish at higher strain levels compared to flamelets generated using the binary and counterflow closures. Lastly, it is shown that the trinary PMF approach can be critical for accurate SLFM computations of DSMLs when differential diffusion effects are important.     

Flame structure analysis and flamelet progress variable modelling of strained coal flames

Strained two-phase pulverised coal flames in a counterflow configuration are investigated numerically. Three operating conditions with different coal-to-primary-air ratios and inlet velocities were evaluated in order to establish different flame regimes. At first, the two-phase flow of the fully resolved reference cases is calculated solving the transport equation for the species and directly evaluating the reaction rates. Different flame structures are identified using the heat release rate and the chemical explosive mode as markers, showing that complex structures with a combination of lean premixed and non-premixed flames can be observed in strained counterflow coal flames. In addition to the fully resolved simulation, the suitability of the Flamelet-Progress Variable (FPV) model is investigated. Both premixed and non-premixed tables are employed. At first, the suitability of the look-up tables is evaluated by means of an a priori analysis, using the fully resolved simulations as reference solutions, showing that the non-premixed flamelet table correctly predicts the structure of the strained coal flames, while the premixed table shows sensible deviations in terms of temperature and species, especially at rich conditions. Finally, the a posteriori analysis shows that the fully coupled FPV model with a non-premixed flamelet look-up table can accurately predict strained coal flames.     

A Eulerian PDF scheme for LES of nonpremixed turbulent combustion with second-order accurate mixture fraction

Monte Carlo simulations of joint probability density function (PDF) approaches have been developed in the past largely with Reynolds averaged Navier Stokes (RANS) applications. Current interests are in the extension of PDF approaches to large eddy simulation (LES). As LES resolves accurately the large scales of turbulence in time, the Monte Carlo simulation and the flow field need to be tightly coupled. A tight coupling can be achieved if the consistency between the scalar field solution obtained via finite-volume (FV) methods and that from the stochastic solution of the PDF is ensured. For nonpremixed turbulent flames with two distinct streams, the local reactive mixture is described by the mixture fraction. A Eulerian Monte Carlo method is developed to achieve a second-order accuracy in the instantaneous filtered mixture fraction that is consistent with the corresponding FV. The performances of the proposed scheme are extensively evaluated using a one-dimensional model. Then, the scheme is applied to two cases with LES. The first one is a non-reacting mixing flow of two different fluids. The second case is the Sandia piloted turbulent flame D with a steady state flamelet model. Both results confirm the consistency of the proposed method to the level of filtered mixture fraction.     

湍流扩散燃烧的数值研究-PDF方法和火焰面模型的性能比较

采用标量概率密度函数(PDF)方法、稳态和非稳态火焰面模型三种方法对一个值班湍流CH_4/O_2/N_2射流扩散火焰(Sandia Flame D)进行数值计算,以比较不同燃烧模型的性能。PDF方法通过计算反应标量的PDF输运方程来得到标量分布,而火焰面模型只求解单标量混合物分数的PDF方程,组分和温度分布通过火焰面方程的求解或者火焰面数据库的插值得到。计算结果和实验数据对比表明PDF方法计算结果最好但计算量相当大,稳态火焰面模型则反之。综合而言,非稳态火焰面模型的预测结果相对稳态模型有了非常大的改进,而计算量仍然容易接受,非常适合工程应用。     

Modeling subfilter soot-turbulence interactions in Large Eddy Simulation: An a priori study

A new LES model for subfilter soot-turbulence interactions is developed based on an a priori analysis using large-scale DNS data of temporally evolving non premixed n-heptane jet flames at a jet Reynolds number of 15,000. In this work, soot formation is modeled in LES by solving explicit transport equations for soot moments, and the unclosed filtered soot moment source terms are closed by a presumed PDF approach. Due to the strong intermittency of soot fields, a previous modeling approach assumes the presumed PDF to be bimodal accounting for sooting and non-sooting subfilter regions but neglects any sub-structure of the soot distribution. In this work, the modeling framework is improved by a new presumed PDF model that explicitly accounts for the sub-structure of the sooting mode, which is modeled by a log-normal distribution. The previous and new models are assessed by means of their prediction of the filtered source terms and the filtered intermittency, and the log-normal distribution is found to significantly reduce modeling errors, in particular, for the coagulation source term. Introducing a log-normal distribution for the PDF of the sooting mode involves a large amount of additional model parameters, such as the width of the distribution and correlation coefficients among different soot moments, so model assumptions to reduce the number of model parameters are discussed by means of the DNS data. The conclusions are found to be robust with respect to a variation in the global Damköhler number in the DNS datasets. The final model formulation only requires solving two additional transport equations in LES compared to previous models, while significantly improved model predictions are obtained for the coagulation source term which is import for predicting the number of soot particles.     

Unsteady flamelet/progress variable approach for non-premixed turbulent lifted flames

The unsteady flamelet/progress variable approach has been developed for the prediction of a lifted flame to capture the extinction and re-ignition physics. In this work inclusion of the time variant behavior in the flamelet generation embedded in the large eddy simulation technique, allows better understanding of partially premixed flame dynamics. In the process sufficient simulations to generate unsteady laminar flamelets are performed, which are a function of time. These flamelets are used for the generation of the look-up table and the flamelet library is produced. This library is used for the calculation of temperature and other species in the computational domain as the solution progresses. The library constitutes filtered quantities of all the scalars as a function of mean mixture fraction, mixture fraction variance and mean progress variable. Mixture fraction and progress variable distributions are assumed to be β-PDF and δ-PDF respectively. The technique used here is known as the unsteady flamelet progress variable (UFPV) approach. One of the well known lifted flames is considered for the present modeling which shows flame lift-off. The results are compared with the experimental data for the mixture fraction and temperature. Lift off height is predicted from the numerical calculations and compared with the experimentally given value. Comparisons show a reasonably good agreement and the UFPV combustion model appears to be a promising technique for the prediction of lifted and partially premixed flames.     

氢气扩散火焰中辐射源项湍流脉动特征的PDF模拟

采用κ-ε湍流模型、标量联合的概率密度函数(PDF)输运方程和层流火焰面模型相结合,模拟氢气自由扩散火焰中辐射源项湍流脉动特征.给出了主燃区内辐射源项湍流脉动的频率图.辐射源项的样本点分布集中,大约95%以上的样本落在其系综的±3倍方差以内,频谱图为单峰.     

Stratified turbulent Bunsen flames: flame surface analysis and flame surface density modelling

In this paper it is investigated whether the Flame Surface Density (FSD) model, developed for turbulent premixed combustion, is also applicable to stratified flames. Direct Numerical Simulations (DNS) of turbulent stratified Bunsen flames have been carried out, using the Flamelet Generated Manifold (FGM) reduction method for reaction kinetics. Before examining the suitability of the FSD model, flame surfaces are characterized in terms of thickness, curvature and stratification.

All flames are in the Thin Reaction Zones regime, and the maximum equivalence ratio range covers 0.1?φ?1.3. For all flames, local flame thicknesses correspond very well to those observed in stretchless, steady premixed flamelets. Extracted curvature radii and mixing length scales are significantly larger than the flame thickness, implying that the stratified flames all burn in a premixed mode. The remaining challenge is accounting for the large variation in (subfilter) mass burning rate.

In this contribution, the FSD model is proven to be applicable for Large Eddy Simulations (LES) of stratified flames for the equivalence ratio range 0.1?φ?1.3. Subfilter mass burning rate variations are taken into account by a subfilter Probability Density Function (PDF) for the mixture fraction, on which the mass burning rate directly depends. A priori analysis point out that for small stratifications (0.4?φ?1.0), the replacement of the subfilter PDF (obtained from DNS data) by the corresponding Dirac function is appropriate. Integration of the Dirac function with the mass burning rate m=m(φ), can then adequately model the filtered mass burning rate obtained from filtered DNS data. For a larger stratification (0.1?φ?1.3), and filter widths up to ten flame thicknesses, a β-function for the subfilter PDF yields substantially better predictions than a Dirac function. Finally, inclusion of a simple algebraic model for the FSD resulted only in small additional deviations from DNS data, thereby rendering this approach promising for application in LES.     

Prediction of local extinction and re-ignition effects in non-premixed turbulent combustion using a flamelet/progress variable approach

The flamelet/progress variable approach (FPVA) has been proposed by Pierce and Moin as a model for turbulent non-premixed combustion in large-eddy simulation. The filtered chemical source term in this model appears in unclosed form, and is modeled by a presumed probability density function (PDF) for the joint PDF of the mixture fraction Z and a flamelet parameter λ. While the marginal PDF of Z can be reasonably approximated by a beta distribution, a model for the conditional PDF of the flamelet parameter needs to be developed. Further, the ability of FPVA to predict extinction and re-ignition has also not been assessed. In this paper, we address these aspects of the model using the DNS database of Sripakagorn et al. It is first shown that the steady flamelet assumption in the context of FPVA leads to good predictions even for high levels of local extinction. Three different models for the conditional PDF of the flamelet parameter are tested in an a priori sense. Results obtained using a delta function to model the conditional PDF of λ lead to an overprediction of the mean temperature, even with only moderate extinction levels. It is shown that if the conditional PDF of λ is modeled by a beta distribution conditioned on Z, then FPVA can predict extinction and re-ignition effects, and good agreement between the model and DNS data for the mean temperature is observed.     

Large eddy simulation of turbulent premixed flames using level-set G-equation

Level-set G-equation and stationary flamelet chemistry are used in large eddy simulation of a propane/air premixed turbulent flame stabilized by a bluff body. The aim was to study the interaction between the flame front and turbulent eddies, and in particular to examine the effect of sub-grid scale (SGS) eddies on the wrinkling of the flame surface. The results indicated that the two types of turbulence eddies—the resolved large scale eddies and the unresolved SGS eddies—have different effects on the flame. The fluctuation of the flame surface, which is responsible for the broadening of the time averaged mean flame brush by turbulence, depends on the large resolved turbulence eddies. Time averaged mean flow velocity, temperature, and major species concentrations mainly depend on the large scale resolved eddies. The unresolved SGS eddies contribute to the wrinkling at the SGS level and play an important role in the enhancement of the propagation speed of the resolved flame front. In addition, the spatially filtered intermediate species, such as radicals, and the spatially filtered reaction rates strongly depend on the small SGS eddies. The asymptotic behavior of flame wrinkling by the SGS eddies, with respect to the decrease in filter size and grid size, is investigated further using a simplified level-set equation in a model shear flow. It is shown that to minimize the influence of the SGS eddies, fine grid and filter size may have to be used.     

Non-premixed turbulent combustion modeling based on the filtered turbulent flamelet equation

In turbulent combustion simulations, the flow structure at the unresolved scale level needs to be reasonably modeled. Following the idea of turbulent flamelet equation for the non-premixed flame case, which was derived based on the filtered governing equations(L. Wang, Combust. Flame 175, 259(2017)), the scalar dissipation term for tabulation can be directly computed from the resolved flowing quantities, instead of solving species transport equations. Therefore, the challenging source term closure for the scalar dissipation or any assumed probability density functions can be avoided;meanwhile the chemical sources are closed by scaling relations. The general principles are discussed in the context of large eddy simulation with case validation. The new model predictions of the bluff-body flame show sufficiently improved results, compared with these from the classic progress-variable approach.     

The impact of dilatation,scrambling, and pressure transport in turbulent premixed flames

Premixed turbulent flames feature strong interactions between chemical reactions and turbulence that affect scalar and turbulence statistics. The focus of the present work is on clarifying the impact of pressure dilatation/flamelet scrambling effects with a comprehensive second-moment closure used for evaluation purposes. Model extensions that take into account flamelet orientation and molecular diffusion are derived. Isothermal pressure transport is included with an additional variable density contribution derived for the flamelet regime of combustion. Full closure is assessed by comparisons with Direct Numerical Simulations (DNSs) of statistically ‘steady’ fully developed premixed turbulent planar flames at different expansion ratios. Subsequently, the prediction of lean premixed turbulent methane–air flames featuring fractal grid generated turbulence in an opposed jet geometry is considered. The overall agreement shows that ‘dilatation’ effects contribute to counter-gradient transport and can also increase the turbulent kinetic energy significantly. Levels of anisotropy are broadly consistent with the DNS data and key aspects of opposed jet flames are well predicted. However, it is also shown that complications arise due to interactions between the imposed pressure gradient and combustion and that redistribution is affected along with the scalar flux at the leading edge. The latter is strongly affected by the reaction rate closure and, potentially, by pressure transport. Overall, the derived models offer significant improvements and can readily be applied to the modelling of premixed turbulent flames at practical rates of heat release.