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.     

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.     

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.     

Turbulence/flame/wall interactions in non-premixed inclined slot-jet flames impinging at a wall using direct numerical simulation

In the present work, three-dimensional turbulent non-premixed oblique slot-jet flames impinging at a wall were investigated using direct numerical simulation (DNS). Two cases are considered with the Damköhler number (Da) of case A being twice that of case B. A 17 species and 73-step mechanism for methane combustion was employed in the simulations. It was found that flame extinction in case B is more prominent compared to case A. Reignition in the lower branch of combustion for case A occurs when the scalar dissipation rate relaxes, while no reignition occurs in the lower branch for case B due to excessive scalar dissipation rate. A method was proposed to identify the flame quenching edges of turbulent non-premixed flames in wall-bounded flows based on the intersections of mixture fraction and OH mass fraction iso-surfaces. The flame/wall interactions were examined in terms of the quenching distance and the wall heat flux along the quenching edges. There is essentially no flame/wall interaction in case B due to the extinction caused by excessive turbulent mixing. In contrast, significant interactions between flames and the wall are observed in case A. The quenching distance is found to be negatively correlated with wall heat flux as previously reported in turbulent premixed flames. The influence of chemical reactions and wall on flow topologies was identified. The FS/U and FC/U topologies are found near flame edges, and the NNN/U topology appears when reignition occurs. The vortex-dominant topologies, FC/U and FS/S, play an increasingly important role as the jet turbulence develops.     

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．     

Scalar dissipation rates in isothermal and reactive turbulent opposed-jets: 1-D-Raman/Rayleigh experiments supported by LES

Isothermal and reactive turbulent opposed flows are presented, which are appropriate to test the applicability and performance of models for turbulence, mixing, chemical reaction, and turbulence-chemistry interaction. Transient flow and scalar fields are measured using laser Doppler velocimetry and one-dimensionally resolved Raman/Rayleigh spectroscopy. Aside of statistical moments of temperature, mean species, and velocity components, scalar dissipation rate across the mixing and reaction layer is determined on a single-shot base. Using large eddy simulation in connection with a steady flamelet model, it is shown how numerical data can serve to estimate the influence of experimental noise upon a measured quantity, such as scalar dissipation. As a key result, it is shown that an increase in scalar rate of dissipation by chemical reactions is caused by a significant increase in the mixture fraction diffusivity, which outweighs the decrease in mixture fraction gradients. In mixture fraction space, local maxima of scalar dissipation rate are found on the rich side, which cannot be correctly reproduced by the steady flamelet model assuming equal species diffusivity. Furthermore, the impact of experimental noise on conditional probability density functions of scalar dissipation rate is shown (exemplary) to lead to erroneous conclusions from experimental data.     

Direct numerical simulation of a statistically stationary,turbulent reacting flow

An inhomogeneous, non-premixed, stationary, turbulent, reacting model flow that is accessible to direct numerical simulation (DNS) is described for investigating the effects of mixing on reaction and for testing mixing models. The mixture-fraction-progress-variable approach of Bilger is used, with a model, finite-rate, reversible, single-step thermochemistry, yielding non-trivial stationary solutions corresponding to stable reaction and also allowing local extinction to occur. There is a uniform mean gradient in the mixture fraction, which gives rise to stationarity as well as a flame brush. A range of reaction zone thicknesses and Damkohler numbers are examined, yielding a broad spectrum of behaviour, including thick and thin flames, local extinction and near equilibrium. Based on direct numerical simulations, results from the conditional moment closure (CMC) and the quasi-equilibrium distributed reaction (QEDR) model are evaluated. Large intermittency in the scalar dissipation leads to local extinction in the DNS. In regions of the flow where local extinction is not present, CMC and QEDR based on the local scalar dissipation give good agreement with the DNS.M This article features multimedia enhancements available from the supplemental page in the online journal.     

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.     

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.     

Measurements of flame orientation and scalar dissipation in turbulent partially premixed methane flames

Three turbulent flames were studied using a new experimental facility developed at Sandia National Laboratories. Line imaging of Raman and Rayleigh scattering and CO laser-induced fluorescence (LIF) yielded information on all major species, temperature, mixture fraction, and a 1D surrogate measure of scalar dissipation. Simultaneously, crossed planar OH LIF imaging provided information on the instantaneous flame orientation, allowing estimation of the full 3D (flame-normal) scalar dissipation rate. The three flames studied were methane–air piloted jet flames (Sandia flames C, D, and E), which cover a range in Reynolds number from 13,400 to 33,600. The statistics of the instantaneous flame orientation are examined in the different flames, with the purpose of studying the prevailing kinematics of isoscalar contours. The 1D and 3D results for scalar dissipation rate are examined in detail, both in the form of conditional averages and in the form of probability density functions. The effect of overall strain and Reynolds number on flame suppression and eventual extinction is also investigated, by examining the doubly conditional statistics of temperature in the form of S-shaped curves. This latter analysis reveals that double conditioning of temperature on both mixture fraction and scalar dissipation does not collapse the data from these flames onto the same curve at low scalar dissipation rates, as might be expected from simple flamelet concepts.     

湍流扩散火焰的非稳态火焰面模拟

采用稳态的和非稳态的火焰面模型同时对一个湍流甲烷射流扩散火焰进行了数值模拟,比较了两者对湍流平均火焰结构、活性自由基和污染物(氮氧化物)排放的模拟效果。速度场采用κ-ε模型计算,守恒标量混合物分数的分布通过其概率密度函数(PDF)输运方程的求解得到。稳态的火焰面结构由查询火焰面数据库得到,而非稳态的火焰面结构由火焰面方程和流场方程耦合求解来计算。采用详细的GRI—Mech 3.0机理描述甲烷的氧化和氮氧化物的形成。数值模拟结果和实验数据作了广泛的对比,验证了火焰面模型对湍流扩散燃烧的定量模拟能力。     

A DNS study on the flame structures and flame stabilization mechanism of a laboratory-scale lean premixed jet flame in crossflow

In the present work, direct numerical simulation (DNS) of a laboratory-scale lean premixed reacting jet flame in crossflow was performed to understand the flame structures and the flame stabilization mechanism. In the DNS, an ethylene-air jet with an equivalence ratio of 0.6 was injected into a hot vitiated crossflow. The jet Reynolds number reaches 6161. The DNS results were compared with those of the experiment with a good agreement. It was found that the windward and leeward branches of the flame show significantly different behaviors. The windward flame branch, appearing lifted and discontinuous, is located in the shear layer regions with high temperature, low vorticity and low scalar dissipation rate. The location of the peak heat release rate shifts to a higher mixture fraction with increasing distance from the jet exit. The leeward branch of the flame anchors in the shear layer near the jet exit. The recirculation zone in the wake of the jet facilitates the stabilization of the leeward flame. The chemical explosive mode analysis (CEMA) and species budget analysis were employed to characterize the local combustion mode. Auto-ignition plays a key role in the stabilization of the windward flame where a large range of extinction is also found due to the high strain rate. In contrast, premixed flame propagation is dominant on the leeward side.     

Influence of advective heat flux on extinction scalar dissipation rate and velocity in negative edge flames

A counterflow flame geometry, which has previously been experimentally shown to produce stable negative edge flames, was studied using numerical simulations. In this geometry, the flame edge is formed off the counterflow centreline owing to a local increase in scalar dissipation rate. Hot products from the stable nonpremixed flame on the centreline flow through the edge at velocities of ～ 1–5 m/s. The size of the counterflow burner and the gas flowrates are varied in the simulations to alter the flame strength and velocity at the flame edge. The advection of products through the edge is shown to extend the flame extinction to higher scalar dissipation rates than required for centreline extinction. For high velocities, the scalar dissipation rate required for flame extinction can be related to the centreline extinction value by considering only the effect of energy addition to the flame edge via advection. However, for lower edge flame velocities, the effects of increased thermal and species diffusion through the edge must also be included. Since the advection at the edge is a product of both the local velocity and temperature gradient, a single correlation between the scalar dissipation rate and the negative edge flame velocity does not exist.     

Monte Carlo PDF modelling of a turbulent natural-gas diffusion flame

A piloted turbulent natural-gas diffusion flame is investigated numerically using a 2D elliptic Monte Carlo algorithm to solve for the joint probability density function (PDF) of velocity and composition. Results from simulations are compared to detailed experimental data: measurements of temperature statistics, data on mean velocity and turbulence characteristics and data on OH. Conserved-scalar/constrained-equilibrium chemistry calculations were performed using three different models for scalar micro-mixing: the interaction by exchange with the mean (IEM) model, a coalescence/dispersion (C/D) model and a mapping closure model. All three models yield good agreement with the experimental data for the mean temperature. Temperature standard deviation and PDF shapes are generally predicted well by the C/D and mapping closure models, whereas the IEM model gives qualitatively incorrect results in parts of the domain. It is concluded that the choice of micro-mixing model can have a strong influence on the quality of the predictions. The same flame was also simulated using reduced chemical kinetics obtained from the intrinsic low-dimensional manifold (ILDM) approach. Comparison with the constrained-equilibrium results shows that the shape of the OH concentration profiles is recovered better in the ILDM simulation, and that the ILDM reduced chemical kinetics can correctly predict super-equilibrium OH.     

Transported probability density function modeling of a bluff body stabilized turbulent flame

A transported probability density function (PDF) approach closed at the joint scalar level is used to model the bluff body stabilized turbulent diffusion flame (HM1) investigated experimentally by Masri and co-workers (Re = 15,800). The current effort extends previous work through the introduction of comprehensive thermochemistry computed via a systematically reduced C/H/N/O mechanism featuring 300 reactions, 20 solved, and 28 steady-state species. Molecular mixing is modelled using the modified Curl’s model. The current computations have been performed via a hybrid Monte Carlo/Finite Volume algorithm. The joint scalar PDF equations are solved using moving particles in a Lagrangian framework, and the velocity field is closed at the second moment level. The redistribution terms are modelled using the Generalized Langevin Model of Haworth and Pope. The principal aim was to investigate the thermochemical effects, and thus a steady-state calculation procedure is adopted. The computations are shown to reproduce experimental mean and rms values of velocities, temperature, mixture, and species mass fractions. In particular, mass fractions of CO and NO are well predicted. Conditional PDFs are also well reproduced although uncertainties in boundary conditions influence results close to the bluff body.     

Stochastic modeling of coherent phenomena in strongly inhomogeneous media

A procedure of numerical simulation for coherent phenomena in multiply scattering media is developed on the basis of the juxtaposition of a Monte Carlo stochastic method with an iterative approach to the solution of the Bethe-Salpeter equation. The time correlation function and the interference component of coherent backscattering are calculated for scalar and electromagnetic fields. The results of simulation are in good agreement with experimental results, as well as with theoretical results obtained by generalizing the Milne solution.     

随机分布黑碳-硅酸盐混合凝聚粒子的消光特性研究

基于分形理论,采用蒙特卡罗方法对随机分布的混合凝聚粒子的空间结构进行了仿真模拟。利用Bruggeman有效介质理论得到了占有不同体积份额黑碳的内混合凝聚粒子的等效复折射率。采用离散偶极子近似方法对随机分布混合凝聚粒子在内外混合状态下的吸收、散射和消光效率因子等消光特性参量进行了数值计算,深入探讨了混合方式、容积含量、入射波长以及基本粒子粒径和数量对混合凝聚粒子消光特性的影响规律。通过将所得数值结果与T矩阵方法的数值结果进行比较发现,两种数值方法计算的结果非常相近。结果表明,随机分布混合凝聚粒子的散射效率因子对混合方式非常敏感,消光效率因子对混合方式较敏感,而吸收效率因子对混合方式不敏感。随着凝聚粒子尺度参数的增大,混合方式对散射和消光效率因子的影响逐渐显著。内外混合方式下,随着黑碳体积比的增大随机分布混合凝聚粒子的吸收、散射和消光效率因子均近似线性增大,并且增大的幅度随着粒子尺度参数的增大而增大。     

Investigation of conditional source-term estimation applied to a non-premixed turbulent flame

A turbulent combustion model, Conditional Source-term Estimation (CSE) is applied to a non-premixed turbulent jet methane flame. The conditional chemical source terms are determined on the basis of first order closure and the conditional averaged species concentrations are obtained by inverting an integral equation. The Tikhonov method is implemented for regularisation. Detailed chemistry is tabulated using the trajectory generated low-dimensional manifold method. Radiation due to the gaseous species is included. Reynolds Averaged Navier–Stokes calculations are performed using two different turbulence models. The objectives of the paper are (i) assessment of the impact of the main numerical parameters in CSE and (ii) comparison of the CSE numerical predictions with available experimental data and results from previous simulations for the selected flame. The number of CSE domains and the number of points in each CSE domain are shown to have a significant impact on the results if not selected appropriately. The present CSE calculations always converge to unique and stable predictions. The corrected k–ε model yields mixture fraction profiles in good agreement with the experimental data values for axial locations in the first half of the flame. Farther downstream, the RNG k–ε model performs better. Overall, the current predictions for the mixture fraction are in good agreement with the experimental data. The predicted temperatures using CSE and the k–ε turbulence model with a modified value of C_ε1 = 1.47 are found to be in very good agreement with the experimental data. Further, the current CSE results are of comparable quality with previous simulations using the flamelet model and conditional moment closure. Future work may include further investigation on optimal determination of the regularisation parameter and alternative regularisation techniques, soot modelling within the CSE formulation, and improved formulation of radiation.     

LES of oxy-fuel jet flames using the Eulerian Stochastic Fields method with differential diffusion

The Eulerian Stochastic Fields (ESF) Monte Carlo method to solve the transported PDF (TPDF) equation is extended to account for differential diffusion effects by incorporating species individual molecular diffusivities. The method has been applied in Large Eddy simulation (LES) to non-piloted oxy-fuel jet flames at different Reynolds numbers experimentally investigated by Sevault et al. [1]. Due to the high H₂ content in the fuel stream and CO₂ in the oxidizer these flames pose new challenges to combustion modeling as the flame structures are different compared to CH₄/air flames. The simulations show very good agreement with the experiments in terms of mixture fraction conditional mean values for temperature and mayor species on the fuel lean side and the reaction zone, deviations on the fuel rich side are discussed. The trend and location of localized extinction is reproduced well in the simulations, as well as differential diffusion effects in the near field. Additionally, it is shown that a neglect of differential diffusion in the combustion model leads to a lifted flame.     

Streamer discharge simulation in flue gas

Streamer discharges are formed in a dielectric-barrier discharge used for nonthermal plasma generation. The results of simulation of streamer type discharge in a flue gas mixture is reported. A Monte Carlo simulation is done to obtain the transport and appropriate rate coefficients. The transport and rate coefficients calculated from the Monte Carlo is used to solve the conservation equations for electron, positive and negative ions, together with the Poisson's equation. The G-factor (radicals produced per 100 eV of electrical energy input to the discharge) obtained for Townsend-type discharge is higher as compared to a streamer-type discharge. Also experimental results of the SO₂ removal efficiency is compared to theoretical predictions