Filtered density function simulator on unstructured meshes

A new computational filtered density function (FDF) methodology is developed for large eddy simulation (LES) of turbulent reacting flows. This methodology is based on a Lagrangian Monte Carlo (MC) FDF solver constructed on a domain portrayed by an unstructured mesh. The base filtered transport equations on this mesh are solved by a finite-volume (FV) method. The consistency of the hybrid FV-MC solver and the realizability of the simulated results are demonstrated via LES of a temporally developing mixing layer. The overall performance of the model is appraised by comparison with direct numerical simulation (DNS) data. The algorithmic implementation in the commercial software ANSYS-FLUENT facilitates future FDF-LES of turbulent combustion in complex configurations.     

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.     

A LES/PDF simulator on block-structured meshes

A block-structured mesh large-eddy simulation (LES)/probability density function (PDF) simulator is developed within the OpenFOAM framework for computational modelling of complex turbulent reacting flows. The LES/PDF solver is a hybrid solution methodology consisting of (i) a finite-volume (FV) method for solving the filtered mass and momentum equations (LES solver), and (ii) a Lagrangian particle-based Monte Carlo algorithm (PDF solver) for solving the modelled transport equation of the filtered joint PDF of compositions. Both the LES and the PDF methods are developed and combined to form a hybrid LES/PDF simulator entirely within the OpenFOAM framework. The in situ adaptive tabulation method [S.B. Pope, Computationally efficient implementation of combustion chemistry using in situ adaptive tabulation, Combust. Theory Model. 1 (1997), pp. 41–63; L. Lu, S.R. Lantz, Z. Ren, and B.S. Pope, Computationally efficient implementation of combustion chemistry in parallel PDF calculations, J. Comput. Phys. 228 (2009), pp. 5490–5525] is incorporated into the new LES/PDF solver for efficient computations of combustion chemistry with detailed reaction kinetics. The method is designed to utilise a block-structured mesh and can readily be extended to unstructured grids. The three-stage velocity interpolation method of Zhang and Haworth [A general mass consistency algorithm for hybrid particle/finite-volume PDF methods, J. Comput. Phys. 194 (2004), pp. 156–193] is adapted to interpolate the LES velocity field onto particle locations accurately and to enforce the consistency between LES and PDF fields at the numerical solution level. The hybrid algorithm is fully parallelised using the conventional domain decomposition approach. A detailed examination of the effects of each stage and the overall performance of the velocity interpolation algorithm is performed. Accurate coupling of the LES and PDF solvers is demonstrated using the one-way coupling methodology. Then the fully two-way coupled LES/PDF solver is successfully applied to simulate the Sandia Flame-D, and a turbulent non-swirling premixed flame and a turbulent swirling stratified flame from the Cambridge turbulent stratified flame series [M.S. Sweeney, S. Hochgreb, M.J. Dunn, and R.S. Barlow, The structure of turbulent stratified and premixed methane/air flames I: Non-swirling flows, Combust. Flame 159 (2012), pp. 2896–2911; M.S. Sweeney, S. Hochgreb, M.J. Dunn, and R.S. Barlow, The structure of turbulent stratified and premixed methane/air flames II: Swirling flows, Combust. Flame 159 (2012), pp. 2912–2929]. It is found that the LES/PDF method is very robust and the results are in good agreement with the experimental data for both flames.     

Finite-rate chemistry effects in turbulent opposed flows: comparison of Raman/Rayleigh measurements and Monte Carlo PDF simulations

This study reports results from experimental and numerical investigations of a partially premixed turbulent opposed methane/air jet flame. Experimentally determined properties of the scalar and the flow field are compared to the results from a Monte Carlo simulation. One-dimensional spatially resolved Raman/Rayleigh scattering serves to quantify the mean species concentrations and temperature, whereas laser Doppler velocimetry is used to measure axial and radial velocity components. The simulation is simplified by using a one-dimensional formulation. It includes a Reynolds-stress turbulence model and a Monte Carlo simulation of the joint scalar probability density function (PDF). A non-uniform Monte Carlo particle distribution is used to minimize stochastic errors. The flame is operated close to extinction with strong interactions between turbulence and chemistry. Comparisons between experimental and numerical results reveal a good agreement of mixture fraction profiles along the centreline. However, species scatter plots and mixture fraction PDFs show discrepancies between experiment and simulation. Numerical simulations over-predict the extinction limits and therefore under-predict the intermittent nature of turbulence and mixing of the scalars.     

Eulerian transported probability density function sub-filter model for large-eddy simulations of turbulent combustion

Reactive flow simulations using large-eddy simulations (LES) require modelling of sub-filter fluctuations. Although conserved scalars like mixture fraction can be represented using a beta-function, the reactive scalar probability density function (PDF) does not follow an universal shape. A one-point one-time joint composition PDF transport equation can be used to describe the evolution of the scalar PDF. The high-dimensional nature of this PDF transport equation requires the use of a statistical ensemble of notional particles and is directly coupled to the LES flow solver. However, the large grid sizes used in LES simulations will make such Lagrangian simulations computationally intractable. Here we propose the use of a Eulerian version of the transported-PDF scheme for simulating turbulent reactive flows. The direct quadrature method of moments (DQMOM) uses scalar-type equations with appropriate source terms to evolve the sub-filter PDF in terms of a finite number of delta-functions. Each delta-peak is characterized by a location and weight that are obtained from individual transport equations. To illustrate the feasibility of the scheme, we compare the model against a particle-based Lagrangian scheme and a presumed PDF model for the evolution of the mixture fraction PDF. All these models are applied to an experimental bluff-body flame and the simulated scalar and flow fields are compared with experimental data. The DQMOM model results show good agreement with the experimental data as well as the other sub-filter models used.     

A new modeling approach for mixture fraction statistics based on dissipation elements

The probabilty density function (PDF) of the mixture fraction is of integral importance to a large number of combustion models. Here, a novel modelling approach for the PDF of the mixture fraction is proposed which employs dissipation elements. While being restricted to the commonly used mean and variance of the mixture fraction, this model approach individually considers contributions of the laminar regions as well as the turbulent core and the turbulent/non-turbulent interface region. The later region poses a highly intermittent part of the flow which is of high relevance to the non-premixed combustion of pure hydrocarbon fuels. The model assumptions are justified by means of the gradient trajectory based analysis of high fidelity direct numerical simulation (DNS) datasets of two turbulent inert configurations and a turbulent non-premixed jet flame. The new dissipation element based model is validated against the DNS datasets and a comparison with the beta PDF is presented.     

轴对称钝体后湍流扩散燃烧的PDF模拟

在无结构网格中，对轴对称钝体驻定的湍流扩散火焰进行数值模拟．采用有限容积(FV)／Monte Carlo(MC)混合算法求解湍流燃烧问题的混合算法．Monte Carlo法求解脉动速度一标量．频率的联合概率密度函数方程，有限容积法求解平均质量、动量和能量方程．求解的两组方程是相容的，合理的耦合方式可以减少统计偏差，计算精度和效率显著优于单独的颗粒方法．文中对化学反应采用层流火焰面模型，并将数值计算结果与实验结果作了比较和分析．     

Large eddy simulation of soot evolution in turbulent nonpremixed bluff body flames

Large Eddy Simulation (LES) is utilized to investigate soot evolution in a series of turbulent nonpremixed bluff body flames featuring different bluff body diameters. The modeling framework relies on recent development in the soot subfilter Probability Density Function (PDF) model that can correctly account for the distribution of soot with respect to mixture fraction, correcting errors in previous soot subfilter PDF models that significantly overpredict soot oxidation. With the previous soot subfilter PDF model, no soot was observed outside of the recirculation zone in past studies on similar bluff body flames. Results obtained with the current LES modeling approach compare favorably with the experimental measurements of the flow field and the soot volume fraction. Notably, the current LES modeling approach correctly predicts large soot volume fractions in the recirculation zone, a decrease in the soot volume fraction through the high-strain neck region, and then an increase again in the downstream jet-like region. Consistent with the experimental measurements, the larger bluff body diameter, with its larger recirculation zone with longer residence times, generates more soot in the recirculation zone and also more soot in the high-strain neck region. Analysis of the soot volume fraction source terms lead to mechanistic understanding of soot evolution in the entirety of the bluff body flames. Most of the soot generated in the recirculation zone is oxidized but some escapes unoxidized and is passively transported through the neck region. Virtually no new soot forms in the downstream jet-like region, and the increase in the soot volume fraction in the jet-like region is due to acetylene-based surface growth of the soot transported through the neck region. This mechanism could not be predicted with the previous soot subfilter PDF model, with the recent soot subfilter PDF model being critical in the understanding of this basic mechanism.     

A priori investigation of the constructed PDF model

The constructed probability density function (PDF) model approximates the species and temperature at a point in a general turbulent reacting flow by the species and temperature that evolved in an independent homogeneous turbulent flow. The thermo-chemical PDF is parameterized by a suitable set of lower moments, and tabulated for retrieval in 3D CFD codes. The Linear Eddy Model is used to resolve, affordably, detailed kinetic calculations in the homogeneous turbulence geometry. In this work, the constructed PDF is parameterized by the first two moments of the mixture fraction, and tested against the equilibrium, assumed-shape PDF model, which is parameterized by the same two moments. The models are evaluated by comparing mean species and temperature predictions with experimental measurements at three points in a turbulent, piloted, jet diffusion flame. The constructed PDF model exhibits consistently improved predictions, and is able to capture super-equilibrium intermediate species as well as species governed by slow kinetics, such as the pollutant NO. The advantage of the constructed PDF model is the capability to decouple the finite-rate chemistry from the multi-dimensional CFD simulation, allowing rapid CFD simulations on large meshes.     

Study of mass consistency LES/FDF techniques for chemically reacting flows

A hybrid large eddy simulation/filtered density function (LES/FDF) approach is used for studying chemically reacting flows with detailed chemistry. In particular, techniques utilised for ensuring a mass consistent coupling between LES and FDF are discussed. The purpose of these techniques is to maintain a correct spatial distribution of the computational particles representing specified amounts of fluid. A particular mass consistency technique due to Y.Z. Zhang and D.C. Haworth (A general mass consistency algorithm for hybrid particle/finite-volume PDF methods, J. Comput. Phys. 194 (2004), pp. 156–193) and their associated algorithms are implemented in a pressure-based computational fluid dynamics code suitable for the simulation of variable density flows, representative of those encountered in actual combustion applications. To assess the effectiveness of the referenced technique for enforcing LES/FDF mass consistency, two- and three-dimensional simulations of a temporal mixing layer using detailed and reduced chemistry mechanisms are carried out. The parametric analysis performed focuses on determining the influence on the level of mass consistency errors of parameters such as the initial number of particles per cell and the initial density ratio of the mixing layers. Particular emphasis is put on the computational burden that represents the use of such a mass consistency technique. The results show the suitability of this type of technique for ensuring the mass consistency required when utilising hybrid LES/FDF approaches. The level of agreement of the computed results with experimental data is also illustrated.     

Large eddy simulation of compressible turbulent channel flow with spanwise wall oscillation

The influences of the modification of turbulent coherent structures on temperature field and heat transfer in turbulent channel flow are studied using large eddy simulation (LES) of compressible turbulent channel flows with spanwise wall oscillation (SWO). The reliability of the LES on such problems is proved by the comparisons of the drag reduction data with those of other researches. The high consistency of coherent velocity structures and temperature structures is found based on the analyses of the turbulent flow field. When the coherent velocity structures are suppressed, the transportations of momentum and heat are reduced simultaneously, demonstrating the same trend. This shows that the turbulent coherent structures have the same effects on the transportations of momentum and heat. The averaged wall heat flux can be reduced with appropriate oscillating parameters. Supported by the Key Subjects of National Natural Science Foundation of China (Grant No. 10732090), the National Natural Science Foundation of China (Grant No. 50476004), and the 111 Project (Grant No. B08009)     

Unstrained and strained flamelets for LES of premixed combustion

The unstrained and strained flamelet closures for filtered reaction rate in large eddy simulation (LES) of premixed flames are studied. The required sub-grid scale (SGS) PDF in these closures is presumed using the Beta function. The relative performances of these closures are assessed by comparing numerical results from large eddy simulations of piloted Bunsen flames of stoichiometric methane–air mixture with experimental measurements. The strained flamelets closure is observed to underestimate the burn rate and thus the reactive scalars mass fractions are under-predicted with an over-prediction of fuel mass fraction compared with the unstrained flamelet closure. The physical reasons for this relative behaviour are discussed. The results of unstrained flamelet closure compare well with experimental data. The SGS variance of the progress variable required for the presumed PDF is obtained by solving its transport equation. An order of magnitude analysis of this equation suggests that the commonly used algebraic model obtained by balancing source and sink in this transport equation does not hold. This algebraic model is shown to underestimate the SGS variance substantially and the implications of this variance model for the filtered reaction rate closures are highlighted.     

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.     

Numerical simulation of turbulent combustion: Scientific challenges

Predictive simulation of engine combustion is key to understanding the underlying complicated physicochemical processes, improving engine performance, and reducing pollutant emissions. Critical issues as turbulence modeling, turbulence-chemistry interaction, and accommodation of detailed chemical kinetics in complex flows remain challenging and essential for high-fidelity combustion simulation. This paper reviews the current status of the state-of-the-art large eddy simulation (LES)/prob-ability density function (PDF)/detailed chemistry approach that can address the three challenging modelling issues. PDF as a subgrid model for LES is formulated and the hybrid mesh-particle method for LES/PDF simulations is described. Then the development need in micro-mixing models for the PDF simulations of turbulent premixed combustion is identified. Finally the different acceleration methods for detailed chemistry are reviewed and a combined strategy is proposed for further development.     

A quadrature-based LES/transported probability density function approach for modeling supersonic combustion

The joint-scalar probability density function (PDF) approach provides a comprehensive framework for large eddy simulation (LES) based combustion modeling. However, currently available stochastic approaches for solving the high-dimensional PDF transport equation can be error prone and numerically unstable in highly compressible shock-containing flows. In this work, a novel Eulerian approach called the direct quadrature method of moments (DQMOM) is developed for evolving the PDF-based supersonic combustion model. The DQMOM technique uses a set of scalar transport equations with specific source terms to recover the PDF. The new technique is coupled to a compressible LES solver through the energy equation. The DQMOM approach is then used to simulate two practical flow configurations: a supersonic reacting jet and a cavity-stabilized supersonic combustor. Comparisons with experimental data demonstrate the predictive accuracy of the method.     

Modeling of filtered heat release for large eddy simulation of compressible infinitely fast reacting flows

A priori and a posteriori studies for large eddy simulation of the compressible turbulent infinitely fast reacting shear layer are presented. The filtered heat release appearing in the energy equation is unclosed and the accuracy of different models for the filtered scalar dissipation rate and the conditional filtered scalar dissipation rate of the mixture fraction in closing this term is analyzed. The effect of different closures of the subgrid transport of momentum, energy and scalars on the modeling of the filtered heat release via the resolved fields is also considered. Three explicit models of these subgrid fluxes are explored, each with an increasing level of reconstruction and all of them regularized by a Smagorinsky-type term. It is observed that a major part of the error in the prediction of the conditional filtered scalar dissipation comes from the unsatisfactory modeling of the filtered dissipation itself. The error can be substantial in the turbulent fluctuation (rms) of the dissipation fields. It is encouraging that all models give good predictions of the mean and rms density in a posteriori LES of this flow with realistic heat release corresponding to large density change. Although a posteriori results show a small sensitivity to subgrid modeling errors in the current problem, extinction–reignition phenomena involving finite-rate chemistry would demand more accurate modeling of the dissipation rates. A posteriori results also show that the resolved fields obtained with the approximate reconstruction using moments (ARM) agree better with the filtered direct numerical simulation since the level of reconstruction in the modeled subfilter fluxes is increased.     

A DNS assessment of linear relations between filtered reaction rate,flame surface density,and scalar dissipation rate in a weakly turbulent premixed flame

Linear relations between (i) filtered reaction rate and filtered flame surface density (FSD) and (ii) filtered reaction rate and filtered scalar dissipation rate (SDR), which are widely used in Large Eddy Simulation (LES) research into premixed turbulent combustion, are examined by processing DNS data obtained from a statistically 1D planar flame under weakly turbulent conditions that are most favourable for the two approaches (flamelet combustion regime, single-step chemistry, equidiffusive mixture, adiabatic burner, and low Mach number). The analysis well supports the former approach provided that the filtered reaction rate is combined with filtered molecular transport term. In such a case, both the RANS and LES FSD approaches are based on local relations valid within weakly perturbed flamelets. Accordingly, simply recasting RANS expressions to a filtered form works well. On the contrary, while the FSD and SDR approaches appear to be basically similar at first glance, the analysis does not support the latter one, but shows that a ratio of the filtered reaction rate to the filtered SDR is strongly scattered within the studied flame brush, with its conditionally mean value varying significantly with Favre-filtered combustion progress variable. As argued in the paper, these limitations of the LES SDR approach stem from the fact that it is based on a relation valid after integration over weakly perturbed flamelets, but this relation does not hold locally within such flamelets. Consequently, when a sufficiently small filter is applied to instantaneous fields, the filter may contain only a part of the local flamelet, whereas the linear relation holds solely for the entire flamelet and may not hold within the filtered flamelet volume. Thus, the present study implies that straightforwardly recasting well-established RANS equations to a filtered form is a flawed approach if the equations are based on integral features of local burning.     

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.     

两相壁面射流PDF方程有限分析方法及数值模拟

提出求解位置-速度相空间中高维两相流PDF(probability density function)方程的有限分析方法,将位置-速度相空间颗粒PDF方程约化到速度空间,并解析求解,颗粒的位置PDF用轨道方法求解.对壁面射流两相流动进行数值模拟,并与颗粒雷诺应力轨道方法进行比较计算,结果优于颗粒雷诺应力轨道方法.     

钝体后湍流预混燃烧的PDF模拟

本文采用PDF方法对矩形燃烧室内钝体后的湍流预混火焰进行了数值模拟。脉动速度-频率-标量联合的PDF输运方程用Monte Carlo方法求解,质量、动量和能量的平均值由基于无结构网格的有限体积法求解,压力通过状态方程获得。PDF方程中所需的平均密度、平均速度和压力由有限体积法提供,并将用Monte Carlo方法求出的雷诺应力、化学反应源项和比热比传递给有限体积法。本文对丙烷和空气燃烧的不同简化化学反应机理进行了研究,并与实验结果进行比较,获得满意的结果。