Modelling of turbulent lifted jet flames using flamelets: a priori assessment and a posteriori validation

This study focuses on the modelling of turbulent lifted jet flames using flamelets and a presumed Probability Density Function (PDF) approach with interest in both flame lift-off height and flame brush structure. First, flamelet models used to capture contributions from premixed and non-premixed modes of the partially premixed combustion in the lifted jet flame are assessed using a Direct Numerical Simulation (DNS) data for a turbulent lifted hydrogen jet flame. The joint PDFs of mixture fraction Z and progress variable c, including their statistical correlation, are obtained using a copula method, which is also validated using the DNS data. The statistically independent PDFs are found to be generally inadequate to represent the joint PDFs from the DNS data. The effects of Z–c correlation and the contribution from the non-premixed combustion mode on the flame lift-off height are studied systematically by including one effect at a time in the simulations used for a posteriori validation. A simple model including the effects of chemical kinetics and scalar dissipation rate is suggested and used for non-premixed combustion contributions. The results clearly show that both Z–c correlation and non-premixed combustion effects are required in the premixed flamelets approach to get good agreement with the measured flame lift-off heights as a function of jet velocity. The flame brush structure reported in earlier experimental studies is also captured reasonably well for various axial positions. It seems that flame stabilisation is influenced by both premixed and non-premixed combustion modes, and their mutual influences.     

The role of tangential diffusion in evaluating the performance of flamelet models

For non-premixed combustion, the steady laminar flamelet model (SLFM) and flamelet/progress variable approach (FPVA) are two popular methods for tabulating flamelet manifolds. Even if the two methods are used to tabulate and parameterize the same flamelet database, their results sometimes differ in the subsequent simulation. In this work, a novel perspective is provided to assess the performance of the SLFM and FPVA. Both approaches are compared with respect to their capabilities to capture tangential diffusion (TD) of the thermochemical state variables along iso-surfaces of mixture fraction. The relevance of TD effects is identified using generalized flamelet equations and regimes by comparing flamelet solutions with and without TD terms to a FTC (full transport and chemistry) solution of a well-known non-premixed coflow flame. It is found that TD effects can play an important role in entire mixture fraction space, even in the classical flamelet regime. This suggests that the ability to characterize TD effects is an important performance indicator for tabulation strategies. Thereafter, an a priori analysis is conducted comparing the results from the FPVA and SLFM (using the same flamelet database) with the FTC results. The results show that the FPVA is able to more accurately describe the thermochemical state and the flame structure than the SLFM. For a more detailed assessment of the two tabulation strategies, the TD terms reconstructed from the FPVA and SLFM are compared to those from the FTC results. It is found that the FPVA can capture a significant portion of TD effects, while the SLFM can hardly characterize TD effects. This particular capability allows the FPVA to describe chemistry-transport interaction and flame structure more accurately than the SLFM.     

Lagrangian investigation of local extinction,re-ignition and auto-ignition in turbulent flames

Lagrangian PDF investigations are performed of the Sandia piloted flame E and the Cabra H₂/N₂ lifted flame to help develop a deeper understanding of local extinction, re-ignition and auto-ignition in these flames, and of the PDF models' abilities to represent these phenomena. Lagrangian particle time series are extracted from the PDF model calculations and are analyzed. In the analysis of the results for flame E, the particle trajectories are divided into two groups: continuous burning and local extinction. For each group, the trajectories are further sub-divided based on the particles' origin: the fuel stream, the oxidizer stream, the pilot stream, and the intermediate region. The PDF calculations are performed using each of three commonly used models of molecular mixing, namely the EMST, IEM and modified Curl mixing models. The calculations with different mixing models reproduce the local extinction and re-ignition processes observed in flame E reasonably well. The particle behavior produced by the IEM and modified Curl models is different from that produced by the EMST model, i.e., the temperature drops prior to (and sometimes during) re-ignition. Two different re-ignition mechanisms are identified for flame E: auto-ignition and mixing-reaction. In the Cabra H₂/N₂ lifted flame, the particle trajectories are divided into different categories based on the particles' origin: the fuel stream, the oxidizer stream, and the intermediate region. The calculations reproduce the whole auto-ignition process reasonably well for the Cabra flame. Four stages of combustion in the Cabra flame are identified in the calculations by the different mixing models, i.e., pure mixing, auto-ignition, mixing-ignition, and fully burnt, although the individual particle behavior by the IEM and modified Curl models is different from that by the EMST model. The relative importance of mixing and reaction during re-ignition and auto-ignition are quantified for the IEM model.     

A priori investigation of subgrid correlation of mixture fraction and progress variable in partially premixed flames

Subgrid correlation of mixture fraction, Z, and progress variable, c, is investigated using direct numerical dimulation (DNS) data of a hydrogen lifted jet flame. Joint subgrid behaviour of these two scalars are obtained using a Gaussian-type filter for a broad range of filter sizes. A joint probability density function (JPDF) constructed using single-snapshot DNS data is compared qualitatively with that computed using two independent β-PDFs and a copula method. Strong negative correlation observed at different streamwise locations in the flame is captured well by the copula method. The subgrid contribution to the Z–c correlation becomes important if the filter is of the size of the laminar flame thickness or larger. A priori assessment for the filtered reaction rate using the flamelet approach with independent β-PDFs and correlated JPDF is then performed. Comparison with the DNS data shows that both models provide reasonably good results for a range of filter sizes. However, the reaction rate computed using copula JPDF is found to have a better agreement with the DNS data for large filter sizes because the subgrid Z–c correlation effect is included.     

A quantitative method for a priori evaluation of combustion reaction models

In recent years, direct numerical simulations have been used increasingly to evaluate the validity and performance of combustion reaction models. This study presents a new, quantitative method to determine the ideal model performance attainable by a given parameterization of the state variables. Data from direct numerical simulation (DNS) of unsteady CO/H₂–air jet flames is analysed to determine how well various parameterizations represent the data, and how well specific models based on those parameterizations perform. Results show that the equilibrium model performs poorly relative to an ideal model parameterized by the mixture fraction. The steady laminar flamelet model performs quite well relative to an ideal model parameterized by mixture fraction and dissipation rate in some cases. However, at low dissipation rates or at dissipation rates exceeding the steady extinction limit, the steady flamelet model performs poorly. Interestingly, even in many cases where the steady flamelet model fails (particularly at low dissipation rate), the DNS data suggests that the state may be parameterized well by the mixture fraction and dissipation rate. A progress variable based on the CO₂ mass fraction is proposed, together with a new model based on the CO₂ progress variable. This model performs nearly ideally, and demonstrates the ability to capture extinction with remarkable accuracy for the CO/H₂ flames considered.     

Evaluation of a flamelet/progress variable approach for pulverized coal combustion in a turbulent mixing layer

A steady flamelet/progress variable (FPV) approach for pulverized coal flames is employed to simulate coal particle burning in a turbulent shear and mixing layer. The configuration consists of a carrier-gas stream of air laden with coal particles that mixes with an oxidizer stream of hot products from lean combustion. Carrier-phase DNS (CP-DNS) are performed, where the turbulent flow field is fully resolved, whereas the coal is represented by Lagrangian point particles. CP-DNS with direct chemistry integration is performed first and provides state-of-the-art validation data for FPV modeling. In a second step the control variables for FPV are extracted from the CP-DNS and used to test if the tabulated manifold can correctly describe the reacting flow (a priorianalysis). Finally a fully coupled a posteriori FPV simulation is performed, where only the FPV control variables are transported, and the chemical state is retrieved from the table and fed back to the flow solver. The a priori results show that the FPV approach is suitable for modeling the complex reacting multiphase flow considered here. The a posteriori data is similarly in good agreement with the reference CP-DNS, although stronger deviations than a priori can be observed. These discrepancies mainly appear in the upper flame (of the present DNS), where premixing and highly unsteady extinction and re-ignition effects play a role, which are difficult to capture by steady non-premixed FPV modeling. However, the present FPV model accurately captures the lower, more stable flame that burns in non-premixed mode.     

湍流扩散火焰局部熄火和再燃现象的PDF模拟

对一个值班湍流CH4／O2／N2射流扩散火焰(Sandia Flame D)进行了数值模拟研究．所采用的数学物理模型包括双尺度的k—ε湍流模型，标量联合的概率密度函数(PDF)输运方程方法，甲烷氧化的ARM简化化学反应机理(包含16种组分，12步总包反应)和欧几里德最小生成树(EMST)小尺度混合模型．将计算结果和实验数据进行了比较，不仅对于平均量，对于标量的散点分布和条件概率密度分布也是如此．计算结果表明文中采用的模型不仅能够预测宏观的火焰结构，而且预测了湍流燃烧中复杂的局部熄火和再燃过程．     

LES/PDF for premixed combustion in the DNS limit

We investigated the behaviour of the composition probability density function (PDF) model equations used in a large-eddy simulation (LES) of turbulent combustion in the direct numerical simulation (DNS) limit; that is, in the limit of the LES resolution length scale Δ (and the numerical mesh spacing h) being small compared to the smallest flow length scale, so that the resolution is sufficient to perform a DNS. The correct behaviour of a PDF model in the DNS limit is that the resolved composition fields satisfy the DNS equations, and there are no residual fluctuations (i.e. the PDF is everywhere a delta function). In the DNS limit, the treatment of molecular diffusion in the PDF equations is crucial, and both the ‘random-walk’ and ‘mean-drift’ models for molecular diffusion are investigated. Two test cases are considered, both of premixed laminar flames (of thickness δ_L). We examine the solutions of the model PDF equations for these test cases as functions of Δ/δ_L and h/δ_L. Each of the two PDF models has advantages and disadvantages. The mean-drift model behaves correctly in the DNS limit, but it is more difficult to implement and computationally more expensive. The random-walk model does not have the correct behaviour in the DNS limit in that it produces non-zero residual fluctuations. However, if the specified mixing rate Ω normalised by the reaction timescale τ_c is sufficiently large (Ωτ_c ? 1), then the residual fluctuations are less than 10% and the observed flame speed and thickness are close to their laminar values. Away from the DNS limit (i.e. h/δ_L ? 1), the observed flame thickness scales with the mesh spacing h, and the flame speed scales with Ωh. For this case it is possible to construct a non-general specification of the mixing rate Ω such that the flame speed matches the laminar flame speed.     

Conditional velocity statistics in the double scalar mixing layer – A mapping closure approach

In this work we use 3D direct numerical simulations (DNS) to investigate the average velocity conditioned on a conserved scalar in a double scalar mixing layer (DSML). The DSML is a canonical multistream flow designed as a model problem for the extensively studied piloted diffusion flames. The conditional mean velocity appears as an unclosed term in advanced Eulerian models of turbulent non-premixed combustion, like the conditional moment closure and transported probability density function (PDF) methods. Here it accounts for inhomogeneous effects that have been found significant in flames with relatively low Damköhler numbers. Today there are only a few simple models available for the conditional mean velocity and these are discussed with reference to the DNS results. We find that both the linear model of Kutznetzov and the Li and Bilger model are unsuitable for multi stream flows, whereas the gradient diffusion model of Pope shows very close agreement with DNS over the whole range of the DSML. The gradient diffusion model relies on a model for the conserved scalar PDF and here we have used a presumed mapping function PDF, that is known to give an excellent representation of the DNS. A new model for the conditional mean velocity is suggested by arguing that the Gaussian reference field represents the velocity field, a statement that is evidenced by a near perfect agreement with DNS. The model still suffers from an inconsistency with the unconditional flux of conserved scalar variance, though, and a strategy for developing fully consistent models is suggested.     

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.     

The compositional structure of highly turbulent piloted premixed flames issuing into a hot coflow

Simultaneous line measurements of major species and temperature by the Raman–Rayleigh technique, combined with CO two-photon laser-induced fluorescence and crossed-plane OH planar laser-induced fluorescence have been applied to a series of flames in the Piloted Premixed Jet Burner (PPJB). The PPJB is capable of stabilizing highly turbulent premixed jet flames through the use of a stoichiometric pilot and a large coflow of hot combustion products. Four flames with increasing jet velocities and constant jet equivalence ratios are examined in this paper. The characteristics of these four flames range from stable flame brushes with reaction zones that can be described as thin and “flamelet-like” to flames that have thickened reaction zones and exhibit extinction re-ignition behaviour. Radial profiles of the mean temperature are reported, indicating the mean thermal extent of the pilot and spatial location of the mean flame brush. Measurements of carbon monoxide (CO) and the hydroxyl radical (OH) reveal a gradual decrease in the conditional mean as the jet velocity is increased and the flame approaches extinction. Experimental results for the conditional mean temperature gradient show a progressive trend of reaction zone thickening with increasing jet velocities, indicating the increased interaction of turbulence with the reaction zone at higher turbulence levels. For the compositions examined, the product of CO and OH mole fractions ([CO][OH]) is shown to be a good qualitative indicator for the net rate of production of carbon dioxide. The axial variation of [CO][OH] is shown to correlate well with the mean chemi-luminescence of the flames including the extinction re-ignition regions. The experimental findings reported in this paper further support the hypothesis of an initial ignition region followed by extinction and re-ignition regions for certain PPJB flames.     

A DNS evaluation of mixing and evaporation models for TPDF modelling of nonpremixed spray flames

In the present work, nonpremixed temporally evolving planar spray jet flames are simulated using both direct numerical simulation (DNS) and the composition transported probability density function (TPDF) method. The objective is to assess the performance of various mixing and evaporation source term distribution models which are required to close the PDF transport equation in spray flames. Quantities which would normally be provided to the TPDF solver by spray models and turbulence models are provided from the DNS: the mean flow velocity, turbulent diffusivity, mixing frequency, and cell-mean evaporation source term. Two cases with different Damköhler numbers (Da) are considered. The low Da case (Da-) features extinction followed by reignition while extinction in the high Da case (Da+) is insignificant. The TPDF modelling considers two mixing models: interaction by exchange with the mean (IEM) and Euclidean minimum spanning trees (EMST). Three models for distribution of the evaporation source terms are considered: EQUAL which distributes them in proportion to notional particles’ mass weight, NEW which creates new particles of pure fuel, and SAT which distributes the sources preferentially to notional particles close to saturation. It is found that the IEM model overpredicts the extinction when used with any evaporation model for both Da- and Da+ cases. The EMST model captures well the trend for extinction and reignition for the Da- case when it is coupled with the EQUAL evaporation model, but it overpredicts the extinction when coupled with the NEW or SAT evaporation model. For the Da+ case, all evaporation models reasonably capture the flame dynamics when coupled with EMST. The flame temperature in the mixture fraction space was examined to further assess the model performance. In general the EMST model results in narrow PDFs with little conditional fluctuation, while the IEM model produces bimodal PDFs with burning and partial extinction branches.     

Direct numerical simulations and analysis of three-dimensional n-heptane spray flames in a model swirl combustor

Three-dimensional n-heptane spray flames in a swirl combustor are investigated by means of direct numerical simulation (DNS) to provide insight into realistic spray evaporation and combustion as well as relevant modeling issues. The variable-density, low-Mach number Navier–Stokes equations are solved using a fully conservative and kinetic energy conserving finite difference scheme in cylindrical coordinates. Dispersed droplets are tracked in a Lagrangian framework. Droplet evaporation is described by an equilibrium model. Gas combustion is represented using an adaptive one-step irreversible reaction. Two different cases are studied: a lean case that resembles a lean direct injection combustion, and a rich case that represents the primary combustion region of a rich-burn/quick-quench/lean-burn combustor. The results suggest that premixed combustion contribute more than 70% to the total heat release rate, although diffusion flame have volumetrically a higher contribution. The conditional mean scalar dissipation rate is shown to be strongly influenced, especially in the rich case. The conditional mean evaporation rate increases almost linearly with mixture fraction in the lean case, but shows a more complex behavior in the rich case. The probability density functions (PDF) of mixture fraction in spray combustion are shown to be quite complex. To model this behavior, the formulation of the PDF in a transformed mixture fraction space is proposed and demonstrated to predict the DNS data reasonably well.     

Evaluation of assumed-PDF methods in two-phase flows using direct numerical simulation

The hypothesis of uncorrelated temperature (T) and vapor-fuel mass fraction (Y_v), frequently made when modeling reaction rates using assumed-PDF models, is examined utilizing transitional databases from direct numerical simulation (DNS) of three-dimensional mixing-layers two-phase (TP) flows with evaporation. Because the databases do not contain chemical reaction, which would further correlate variables, finding here a correlation between T and Y_v is sufficient for invalidating reaction rate modeling of the joint (T, Y_v) probability distribution function (PDF) as a product of the marginal PDFs. The databases comprise four multicomponent fuels, two mass loadings and two free-stream gas temperatures. For comparison, databases for single-phase (SP) flows are also analyzed at two initial Reynolds numbers. The examination is conducted in the mixing layer excluding the free streams and in a more restricted part of the mixing layer constituting its core. The analysis is performed at the DNS and large eddy simulation (LES) scales, and subgrid scale (SGS). To obtain the LES database, the DNS database is filtered, and an evaluation of the examined correlation at the LES and SGS scales is made at two filter sizes. At the DNS scale, T and Y_v are practically uncorrelated for SP flows, showing the weak influence of the perfect-gas equation of state, whereas for TP flows the correlation is strong and increases with mass loading indicating the powerful effect of the phase change. At the LES scale, the findings emulate those at the DNS scale. The fluctuations of the SGS scale are uncorrelated for SP flows, but the product of the marginal PDFs is different from the joint PDF. For TP flows, the fluctuations are correlated and the correlation increases with temperature, casting doubt on current assumed PDFs used to model chemistry in reacting sprays. These results are independent of filter size. The joint PDFs for TP and SP fluctuations are successfully modeled.     

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。     

Effects of Lewis number,density ratio and gravity on burning velocity and conditional statistics in stagnating turbulent premixed flames

DNS is performed to analyse the effects of Lewis number (Le), density ratio and gravity in stagnating turbulent premixed flames. The results show good agreement with those of Lee and Huh (Combustion and Flame, Vol. 159, 2012, pp. 1576–1591) with respect to the turbulent burning velocity, S_T, in terms of turbulent diffusivity, flamelet thickness, mean curvature and displacement speed at the leading edge. In all four stagnating flames studied, a mean tangential strain rate resulting in a mean flamelet thickness smaller than the unstretched laminar flame thickness leads to an increase in S_T. A flame cusp of positive curvature involves a superadiabatic burned gas temperature due to diffusive–thermal instability for an Le less than unity. Wrinkling tends to be suppressed at a larger density ratio, not enhanced by hydrodynamic instability, in the stagnating flow configuration. Turbulence is produced, resulting in highly anisotropic turbulence with heavier unburned gas accelerating through a flame brush by Rayleigh–Taylor instability. Results are also provided on brush thickness, flame surface density and conditional velocities in burned and unburned gas and on flame surfaces to represent the internal brush structures for all four test flames.     

The effect of timescale variation in multiple mapping conditioning mixing of PDF calculations for Sandia Flame series D–F

A stochastic implementation of the multiple mapping conditioning (MMC) model has been used for the modelling of turbulence–chemistry interactions in a series of turbulent jet diffusion flames with varying degrees of local extinction (Sandia Flames D–F). The mapping function approximates the cumulative probability distribution of mixture fraction and the corresponding variance can be controlled by a standard implementation of the scalar mixing timescale. The conditional fluctuations are controlled by a minor dissipation timescale, τ_min. The results show a clear dependence of the conditional fluctuations on the choice of the minor timescale, and the appropriate value for turbulent jet flames is similar to values determined in related direct numerical simulation (DNS) studies of homogeneous turbulent reacting flows. The predictions of means and variances of temperature and species mass fractions are very good for all flames, indicating an appropriate modelling of the conditional variances. Further sensitivity studies with respect to particle number density demonstrate a relative insensitivity of the results to the particle number in the numerical solution procedure. Good results can be obtained with as few as 10 particles per cell, allowing for a computationally inexpensive implementation of a Monte Carlo/probability density function (PDF) method.     

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.     

小火焰模型在贫燃预混火焰中的研究

由层流小火焰库引入详细化学反应机理,通过简化的PDF方法计算组分浓度、平均温度和密度等变量,以钝体火焰稳定燃烧室和某燃气轮机上的燃烧室为例,模拟甲烷/空气贫燃条件下预混燃烧的平均火焰位置和火焰厚度,计算结果与实验结果吻合良好,这表明此方法能够较好计算出平均湍流火焰的主要特征。