Large Eddy Simulation of a Methane–Air Diffusion Flame

Large Eddy Simulation has been applied to a piloted methane/air diffusion flame—the Sandia D flame—for which detailed experimental data are available. To evaluate the reacting density, temperature and species mass fractions a conserved scalar laminar flamelet formulation is employed, utilising a single virtually unstrained flamelet. The results of two simulations are discussed, comparing the use of the standard Smagorinsky model and a dynamic variant for closure of the unknown sub-grid stress. The chosen sub-grid scale model is shown to be extremely influential on the final solution. Whilst the use of the standard model results in a relatively poor simulation the dynamic closure offers an excellent velocity field prediction throughout the flame. Although the flame does show some strain rate influence on burning, particularly close to the inlet nozzle, the relatively simple ‘unstrained’ flamelet model applied is shown to provide an accurate representation of temperature and major species distribution.     

Subgrid Scale Modeling in Large-Eddy Simulation of Turbulent Combustion Using Premixed Flamelet Chemistry

Large-eddy simulation (LES) of turbulent combustion with premixed flamelets is investigated in this paper. The approach solves the filtered Navier–Stokes equations supplemented with two transport equations, one for the mixture fraction and another for a progress variable. The LES premixed flamelet approach is tested for two flows: a premixed preheated Bunsen flame and a partially premixed diffusion flame (Sandia Flame D). In the first case, we compare the LES with a direct numerical simulation (DNS). Four non-trivial models for the chemical source term are considered for the Bunsen flame: the standard presumed beta-pdf model, and three new propositions (simpler than the beta-pdf model): the filtered flamelet model, the shift-filter model and the shift-inversion model. A priori and a posteriori tests are performed for these subgrid reaction models. In the present preheated Bunsen flame, the filtered flamelet model gives the best results in a priori tests. The LES tests for the Bunsen flame are limited to a case in which the filter width is only slightly larger than the flame thickness. According to the a posteriori tests the three models (beta-pdf, filtered flamelet and shift-inversion) show more or less the same results as the trivial model, in which subgrid reaction effects are ignored, while the shift-filter model leads to worse results. Since LES needs to resolve the large turbulent eddies, the LES filter width is bounded by a maximum. For the present Bunsen flame this means that the filter width should be of the order of the flame thickness or smaller. In this regime, the effects of subgrid reaction and subgrid flame wrinkling turn out to be quite modest. The LES-results of the second case (Sandia Flame D) are compared to experimental data. Satisfactory agreement is obtained for the main species. Comparison is made between different eddy-viscosity models for the subgrid turbulence, and the Smagorinsky eddy-viscosity is found to give worse results than eddy-viscosities that are not dominated by the mean shear. Paper presented on the Eccomas Thematic Conference Computational Combustion 2007, submitted for a special issue of Flow, Turbulence and Combustion.     

Level‐set based flamelet approach for simulating turbulent lifted jet flame

The present study focuses on numerically investigating the flame structure, flame liftoff, and stabilization in a lifted turbulent H₂/N₂ jet flame with a vitiated coflow. To realistically represent the turbulent partially premixed nature in the flow region between nozzle exit and flame base, the level‐set approach coupled with the conserved scalar flamelet model has been applied. The unstructured‐grid level‐set approach has been developed to allow the geometric flexibility and computational efficiency for the solution of the physically and geometrically complex reacting flows. The pressure–velocity coupling is handled by the multiple pressure‐correction method. The predicted flame pattern is in good conformity with the measured one. In terms of the liftoff height, the agreement between prediction and experiment is quite good. Even if there are noticeable deviations in a certain region, the predicted profiles for the overall flame structure agree reasonably well with the experimental data. These numerical results indicate that the present level‐set‐based flamelet approach in conjunction with the unstructured‐grid finite‐volume method is capable of realistically predicting the essential features and precise structure of the turbulent‐lifted jet flame with computational efficiency. Copyright © 2008 John Wiley & Sons, Ltd.     

Joint PDF Closure of Turbulent Premixed Flames

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

A Non-Adiabatic Flamelet Progress�CVariable Approach for LES of Turbulent Premixed Flames

A progress variable/flame surface density/probability density function method has been employed for a Large Eddy Simulation of a CH₄/Air turbulent premixed bluff body flame. In particular, both mean and variance of the progress variable are transported and subgrid spatially filtered gradient contributes to model the flame surface density (that introduces the effect of the subgrid flame reaction zone) and to presume a probability density function (that introduces the effect of subgrid fluctuations on chemistry). Chemistry is preliminarly tabulated in terms of laminar premixed flames and enthalpy is included as a new coordinate in their tabulation to take into account heat losses in the flowfield. Then, the PDF is used to build a turbulent flamelet library. The filtered mass, momentum, enthalpy and scalar equations mentioned above are integrated by an explicit scheme using finite differences, 2nd?Corder accurate in space and third order in time, over a cylindrical non-uniform grid using a staggered mesh. The bluff-body geometry is modelled by using the Immersed Boundary Method. The numerical predictions are compared with the available experimental data.     

Modelling of a Bluff-Body Nonpremixed Flame using a Coupled Radiation/Flamelet Combustion Model

A coupled radiation/flamelet combustion modelling technique is applied to the simulation of a bluff-body flame. Radiation heat transfer is incorporated into the laminar flamelet model for turbulent combustion through the enthalpy defect. A new method is developed for generating flamelet library with enthalpy defect. The radiation within the flame is modelled using a raytracing approach based on the discrete transfer method. The predicted results are compared with the reported experimental data. Comparison shows that the effects of radiative heat transferr on the temperature and major species are small for the flame considered. However, a significant improvement in the prediction of OH is achieved when radiation heat transfer is included. This revised version was published online in July 2006 with corrections to the Cover Date.     

Flamelet Based NO x -Radiation Integrated Modelling of Turbulent Non-premixed Flame using Reynolds-stress Closure

A methodology of extending laminar flamelet model in its adiabatic form to a non-adiabatic form which can account for radiative heat loss as well as its effect on NO _x pollutant has been developed. Coupling of radiation submodel with flamelet model is based on the enthalpy defect concept. Pollutant NO _x has been calculated from solution of its transport equation containing source term which is derived from flamelet calculations. Flamelet calculations adopted GRI 2.11 reaction mechanism which accounts for detailed carbon and NO _x chemistry. Depending on consideration of variation in scalar dissipation within flamelet calculations, the non-adiabatic form has been further divided into non-adiabatic model with single (NADS) and multiple scalar dissipation rates (NADM). Bluff-body stabilized CH₄/H₂ flame has been chosen as the test case to assess the capability of non-adiabatic models. Turbulence closure has been achieved with a Reynolds stress transport model. Calculations have also been carried out with a modified k-ε model for evaluation of relative performance of the two turbulence closures. Performance of non-adiabatic flamelet models in regard to the overall structure of the flame is reasonably good and the agreement is similar to that of the adiabatic flamelet model thereby indicating weakly radiating nature of the flame. However, the NADM model results in minor but encouraging improvement in NO mass fraction predictions by reducing the extent of overprediction observed with the adiabatic model. In contrast, the NADS model results in overprediction over and above the adiabatic predictions thereby showing that, it is imperative to consider variation in scalar dissipation rate in flamelet calculations to capture the effect of radiation on NO. The results also show that employing the modified k-ε model instead of the Reynolds stress transport model for turbulence closure in NADM calculations results in considerable overprediction in centerline NO mass fractions.     

Rayleigh scattering for density measurements in premixed flames

Rayleigh scattering measurements for molecular number density in turbulent, premixed CH₄-air flames are discussed, and data for both flamelet passage time distributions and power spectral density functions are reported and compared to the recent predictions of Bray, Libby and Moss (1984). Measurement problems associated with variations in mixture-averaged Rayleigh scattering cross section, index of refraction fluctuations, finite spatial and temporal resolution and with scattering from particles are discussed. It is concluded that these effects are relatively minor in the reported experiments. Correction procedures are suggested for the effects of cross section variation and of finite resolution. Passage time and spectral data support the Bray, Libby and Moss hypothesis for the passage time distribution function. Furthermore, model predictions for the variation across the flame brush of mean passage times for both reactant and product eddies are in reasonable agreement with experiment. Finally, the data suggest that these mean times scale in part with ū and λ in the reactant flow.     

Transient pressure effects in the evolution equation for premixed flame fronts

A nonlinear evolution equation for a scalar field G(x, t) is derived, whose level surface G ₀=const. represents the interface of a thin premixed flame propagating in a flow field. The derivation is an extended version of an equation already proposed by Markstein [1]. It was reconsidered by Williams [2] as a basis for theoretical and numerical analysis and takes, in addition to flame curvature and flame stretch time variations of the bulk pressure, heat loss and nonconstant transport coefficients into account. The equation is an extension of earlier analyses where a flame evolution equation was derived for slightly wrinkled flames such that the front can be described by a single-valued function of a normal coordinate. That formulation excluded situations where the mean flame front has an arbitrary shape in space. Here the more general situation is analysed by using a two-length-scale asymptotic analysis. The leading-order solution of this analysis is equivalent to the equation originally derived by Markstein [1]. In addition to nonconstant properties and heat-loss effects, that had already been considered by Clavin and Nicoli [3], the influence of transient changes of the bulk pressure is analysed. All these effects are combined into a unified formulation which will serve as a basis for a new flamelet concept for premixed turbulent combustion.     

Flamelet-Modeling of Inverse Rich Diffusion Flames

An experimental and numerical investigation of a confined laminar inverse diffusion flame (IDF) with pure oxygen as oxidizer and carbon dioxide diluted methane as fuel with a global stoichiometry of partial oxidation processes (equivalence ratio of 2.5) is presented. The present burner setup allows studying both the flame and the post-flame zone in a simplified geometry considering typical operating conditions as found in large-scale gasifiers. This partial oxidation flame setup is characterized by very high temperatures close to the stoichiometric oxidation zone due to oxy-fuel combustion, whereas lower temperatures and slow endothermic post-flame conversion reactions with long residence times are found in the fuel rich post-flame region. The scope of this paper is to investigate different modeling approaches suitable for both regimes by comparing the simulation results to detailed experimental data. Planar OH laser-induced fluorescence (OH-LIF) was performed for measuring the hydroxyl radical in the reaction zone and the results are compared to CFD calculations. Based on this comparison, the necessary level of detail of diffusion flux modeling, which includes Soret and Dufour effects, is analyzed and established. Finally, steady and unsteady non-premixed flamelet approaches based on a single mixture fraction are used in order to study their applicability for both the oxidation and post-flame zone. Significantly different time scales are obtained using different flamelet paths. Their influence on the results is investigated in the steady flamelet and the Lagrangian flamelet approach.     

Large Eddy Simulation of a Polydisperse Ethanol Spray Flame

Ethanol is identified as an interesting alternative fuel. In this regards, the predictive capability of combustion Large Eddy Simulation approach coupled to Lagrangian droplet dynamic model to retrieve the turbulent droplet dispersion, droplet size distribution, spray evolution and combustion properties is investigated in this paper for an ethanol spray flame. Following the Eulerian-Lagrangian approach with a fully two way coupling, the Favre-filtered low Mach number Navier-Stokes equations are solved on structured grids with dynamic sub-grid scale models to describe the turbulent carrier gas phase. Droplets are injected in polydisperse manner and generated in time dependent boundary conditions. They evaporate to form an air-fuel mixture that yields spray flame. Part of the ethanol droplets evaporates within the prevaporization area before reaching the combustion zone, making the flame to burn in a partially premixed regime. The chemistry is described by a tabulated detailed chemistry based on the flamelet generated manifold approach. The fuel, ethanol, is modeled by a detailed reaction mechanism consisting of 56 species and 351 reversible reactions. The simulation results including excess gas temperature, droplet velocities and corresponding fluctuations, droplet mean diameters and spray volume flux at different distances from the exit plane show good agreement with experimental data. Analysis of combustion spray features allows gaining a deep insight into the two-phase flow process ongoing.     

Soot Particle Size Distribution Functions in a Turbulent Non-Premixed Ethylene-Nitrogen Flame

A scanning mobility particle sizer with a nano differential mobility analyzer was used to measure nanoparticle size distribution functions in a turbulent non-premixed flame. The burner utilizes a premixed pilot flame which anchors a C₂H₄/N₂ (35/65) central jet with Re _D = 20,000. Nanoparticles in the flame were sampled through a N₂-filled tube with a 500- μm orifice. Previous studies have shown that insufficient dilution of the nanoparticles can lead to coagulation in the sampling line and skewed particle size distribution functions. A system of mass flow controllers and valves were used to vary the dilution ratio. Single-stage and two-stage dilution systems were investigated. A parametric study on the effect of the dilution ratio on the observed particle size distribution function indicates that particle coagulation in the sampling line can be eliminated using a two-stage dilution process. Carbonaceous nanoparticle (soot) concentration particle size distribution functions along the flame centerline at multiple heights in the flame are presented. The resulting distributions reveal a pattern of increasing mean particle diameters as the distance from the nozzle along the centerline increases.     

Fractal analysis of turbulent premixed flame surface

The fractal-like character of the laminar flamelet surface in turbulent premixed combustion of lean methane/air mixtures was studied by using the laser tomography technique to visualize the instantaneous flame surface in the two-dimensional section cut by the laser sheet. The fractal analysis of the surface revealed that the surface actually exhibits a self-similarity behavior in a narrow range of scale, and the value of fractal dimension can be defined. The inner cutoff scale was the laminar flame thickness, while the outer cutoff scale was the flame size. The fractal dimension was found to depend on the orientation of the section, and to increase towards downstream. It is suggested that the observed fractal-like character is not directly connected to approach flow turbulence, but should represent certain aspects of the flamelet itself.     

Prediction of a Turbulent Non-Premixed Natural Gas Flame in a Semi-Industrial Scale Furnace using a Radiative Flamelet Combustion Model

A mixedness-reactedness flamelet combustion model coupled with a comprehensive radiation heat transfer model based on the discrete transfer method of solution of the radiative transport equation is applied for the simulation of a 3 MW non-swirling turbulent non-premixed natural gas flame in the experimental furnace at the International Flame Research Foundation. In the calculation, turbulence is represented by the standard k − ε and a differential Reynolds-stress model. Predictions are compared with measurements of mean gas velocity, temperature, major species concentrations and incident radiation wall flux. The radiative mixedness-reactedness flamelet combustion model, irrespective of the model for turbulence, is able to reproduce the basic structure of the experimental flame, which is stabilised downstream of the burner nozzle. In the near burner region, encompassing the non-reacting lift-off zone, good quality predictions are obtained using both the turbulence models, whereas further downstream, within the combusting zone of the jet, the Reynolds-stress turbulence model generates better predictions at and about the furnace axis. The nitric oxide (NO) formation via the thermal- and prompt-NO routes was also calculated and compared with in-flame and flue-gas NO data. The measured NO level at the furnace exit is well reproduced in the calculation, however discrepancies exist near the burner where NO concentrations around the furnace axis are overpredicted.     

Large-Eddy Simulations of Spray a Flames Using Explicit Coupling of the Energy Equation with the FGM Database

This paper provides a numerical study on n-dodecane flames using Large-Eddy Simulations (LES) along with the Flamelet Generated Manifold (FGM) method for combustion modeling. The computational setup follows the Engine Combustion Network Spray A operating condition, which consists of a single-hole spray injection into a constant volume vessel. Herein we propose a novel approach for the coupling of the energy equation with the FGM database for spray combustion simulations. Namely, the energy equation is solved in terms of the sensible enthalpy, while the heat of combustion is calculated from the FGM database. This approach decreases the computational cost of the simulation because it does not require a precise computation of the entire composition of the mixture. The flamelet database is generated by simulating a series of counterflow diffusion flames with two popular chemical kinetics mechanisms for n-dodecane. Further, the secondary breakup of the droplet is taken into account by a recently developed modified version of the Taylor Analogy Breakup model. The numerical results show that the proposed methodology captures accurately the main characteristics of the reacting spray, such as mixture formation, ignition delay time, and flame lift-off. Additionally, it captures the “cool flame" between the flame lift-off and the injection nozzle. Overall, the simulations show differences between the two kinetics mechanisms regarding the ignition characteristics, while similar flame structures are observed once the flame is stabilised at the lift-off distance.

     

Assessing the Predictive Capabilities of Combustion LES as Applied to the Sydney Flame Series

Large Eddy Simulation (LES) and flamelet-based combustion models were applied to four bluff-body stabilized nonpremixed and partially premixed flames selected from the Sydney flame series, based on Masri’s bluff-body test rig (University of Sydney). Three related non-reacting flow cases were also investigated to assess the performance of the LES solver. Both un-swirled and swirled cases were studied exhibiting different flow features, such as recirculation, jet precessing and vortex breakdown. Due to various fuel compositions, flow rates and swirl numbers, the combustion characteristics of the flames varied greatly. On six meshes with different blocking structure and mesh sizes, good prediction of flow and scalar fields using LES/flamelet approaches and known fuel and oxidizer mass fluxes was achieved. The accuracy of predictions was strongly influenced by the combustion model used. All flames were calculated using at least two modeling strategies. Starting with calculations of isothermal flow cases, simple single flamelet based calculations were carried out for the corresponding reacting cases. The combustion models were then adjusted to fit the requirements of each flame. For all flame calculations good agreement of the main flow features with the measured data was achieved. For purely nonpremixed flames burning attached to the bluff-body’s outer edge, flamelet modeling including strain rate effects provided good results for the flow field and for most scalars. The prediction of a partially premixed swirl flame could only be achieved by applying a flamelet-based progress variable approach.     

高马赫数下超声速燃烧的自点火查表方法

超燃冲压发动机燃烧室工作在高马赫数工况时, 入口来流空气的总焓非常高, 自点火在高焓条件下成为维持火焰稳定的重要物理化学过程. 本文借鉴火焰面/进度变量模型的降维思路, 发展了一种基于化学动力学的自点火建表方法. 通过定义混合分数和进度变量将复杂多维的化学反应降维, 并成功将数据库方法结合到现有的大涡模拟求解器中. 经过测试和验证, 该方法初步具备对超声速自点火燃烧进行仿真描述的能力. 针对自点火诱导的超声速燃烧问题开展数值模拟, 该方法通过查表的方式有效降低了化学反应求解过程中的计算量. 在采用详细化学反应机理时能够准确地再现自点火行为和火焰结构, 并且预测的温度和重要组分分布与实验吻合较好.      

A time‐accurate pseudo‐compressibility approach based on an unstructured hybrid finite volume technique applied to unsteady turbulent premixed flame propagation

A preconditioning approach based on the artificial compressibility formulation is extended to solve the governing equations for unsteady turbulent reactive flows with heat release, at low Mach numbers, on an unstructured hybrid grid context. Premixed reactants are considered and a flamelet approach for combustion modelling is adopted using a continuous quenched mean reaction rate. An overlapped cell‐vertex finite volume method is adopted as a discretisation scheme. Artificial dissipation terms for hybrid grids are explicitly added to ensure a stable, discretised set of equations. A second‐order, explicit, hybrid Runge–Kutta scheme is applied for the time marching in pseudo‐time. A time derivative of the dependent variable is added to recover the time accuracy of the preconditioned set of equations. This derivative is discretised by an implicit, second‐order scheme. The resulting scheme is applied to the calculation of an infinite planar (one‐dimensional) turbulent premixed flame propagating freely in reactants whose turbulence is supposed to be frozen, homogeneous and isotropic. The accuracy of the results obtained with the proposed method proves to be excellent when compared to the data available in the literature. Copyright © 2004 John Wiley & Sons, Ltd.     

Turbulent combustion modeling using a flamelet generated manifold approach——a validation study in Open FOAM

An Open FOAM based turbulence combustion solver with flamelet generated manifolds(FGMs) is presented in this paper. A series of flamelets, representative for turbulent flames, are calculated first by a one-dimensional(1D) detailed chemistry solver with the consideration of both transport and stretch/curvature contributions. The flame structure is then parameterized as a function of multiple reaction control variables. A manifold, which collects the 1D flame properties, is built from the 1D flame solutions.The control variables of the mixture fraction and the progress variable are solved from the corresponding transport equations. During the calculation, the scalar variables, e.g.,temperature and species concentration, are retrieved from the manifolds by interpolation.A transport equation for NO is solved to improve its prediction accuracy. To verify the ability to deal with the enthalpy loss effect, the temperature retrieved directly from the manifolds is compared with the temperature solved from a transport equation of absolute enthalpy. The resulting FGM-computational fluid dynamics(CFD) coupled code has three significant features, i.e., accurate NO prediction, the ability to treat the heat loss effect and the adoption at the turbulence level, and high quality prediction within practical industrial configurations. The proposed method is validated against the Sandia flame D,and good agreement with the experimental data is obtained.     

Flow Physics of a Bluff-Body Swirl Stabilized Flame and their Prediction by Means of a Joint Eulerian Stochastic Field and Tabulated Chemistry Approach

In the frame of this work a transported joint scalar probability density function (PDF) method is combined with the flamelet generated manifolds (FGM) tabulated chemistry approach for large eddy simulation (LES) modeling of a three-dimensional turbulent premixed swirl burner. This strategy accounts for the turbulence-chemistry interaction at reasonable computational costs. At the same time, it allows the usage of detailed chemistry mechanisms for the creation of the chemical database. The simulation results obtained are comparatively assessed along with complementary measurements. Furthermore, transient and time-averaged data are used to provide insight into the flow physics of the bluff-body swirl stabilized flame considered. The sensitivity of the results to different modeling approaches regarding the predicted flame shape and its dynamics is also investigated, where the implemented approach is compared with the well-established artificially thickened flame (ATF) combustion model. Consequently, the investigation conducted in this work aims to provide a complete picture on the ability of the proposed combustion model to reproduce the flow conditions within complex bluff-body swirl stabilized flames.