Subgrid Modeling of Turbulent Premixed Flames in the Flamelet Regime

Large eddy simulation (LES) models for flamelet combustion are analyzed by simulating premixed flames in turbulent stagnation zones. ALES approach based on subgrid implementation of the linear eddy model(LEM) is compared with a more conventional approach based on the estimation of the turbulent burning rate. The effects of subgrid turbulence are modeled within the subgrid domain in the LEM-LES approach and the advection (transport between LES cells) of scalars is modeled using a volume-of-fluid (VOF) Lagrangian front tracking scheme. The ability of the VOF scheme to track the flame as a thin front on the LES grid is demonstrated. The combined LEM-LES methodology is shown to be well suited for modeling premixed flamelet combustion. The geometric characteristics of the flame surfaces, their effects on resolved fluid motion and flame-turbulence interactions are well predicted by the LEM-LES approach. It is established here that local laminar propagation of the flamelets needs to be resolved in addition to the accurate estimation of the turbulent reaction rate. Some key differences between LEM-LES and the conventional approach(es) are also discussed. This revised version was published online in July 2006 with corrections to the Cover Date.     

A Lagrangian Mixed Subgrid-Scale Model in Generalized Coordinates

This paper presents the formulation of a mixed dynamic subgrid-scale model in non-Cartesian geometries suitable for the study of complex flows. Following the approach developed by Jordan [J. Comput. Phys. 148, 322 (1999)], the variables are first transformed into a contravariant form and then filtered in the computational space. A dynamic localized mixed model, previously developed within the Cartesian framework has been entirely re-formulated for non-orthogonal meshes. The model performance was evaluated by carrying out two tests. First, a plane channel flow at Re_τ = 395 was simulated using both Cartesian and curvilinear grids; the results show that the model formulation is consistent and insensitive to grid distortion, and compares well with the reference data. Then, computations of the turbulent flow over a two-dimensional channel with a wavy wall were performed. Accurate first- and second-order statistics were obtained using relatively coarse grids. This revised version was published online in July 2006 with corrections to the Cover Date.     

Looking for Turbulence Structures: A Numerical Exploration

The purpose of this paper, dedicated to the memory of our friend Hieu Ha Minh, is to wander through the turbulence universe using deterministic computational tools based on large-eddy simulations (LES) in physical and spectral space. We first briefly recall the subgrid models used, then apply them to mixing layers, jets, separated flows (the backstep in particular, on which Hieu worked a lot) and boundary layers. The influence of compressibility will be also considered. These fine-grain LES allow us to decipher very nicely the intimate vortical structure of turbulence, and predict their statistics. Finally, we discuss of the applicability of these methods to industrial flows. This revised version was published online in August 2006 with corrections to the Cover Date.     

Effects of the Similarity Model in Finite-Difference LES of Isotropic Turbulence Using a Lagrangian Dynamic Mixed Model

A Lagrangian dynamic formulation of the mixed similarity subgrid (SGS) model for large-eddy simulation (LES) of turbulence is proposed. In this model, averaging is performed over fluid trajectories, which makes the model applicable to complex flows without directions of statistical homogeneity. An alternative version based on a Taylor series expansion (nonlinear mixed model) is also examined. The Lagrangian models are implemented in a finite difference code and tested in forced and decaying isotropic turbulence. As comparison, the dynamic Smagorinsky model and volume-averaged formulations of the mixed models are also tested. Good results are obtained, except in the case of low-resolution LES (32³) of decaying turbulence, where the similarity coefficient becomes negative due to the fact that the test-filter scale exceeds the integral scale of turbulence. At a higher resolution (64³), the dynamic similarity coefficient is positive and good agreement is found between predicted and measured kinetic energy evolution. Compared to the eddy viscosity term, the similarity or the nonlinear terms contribute significantly to both SGS dissipation of kinetic energy and SGS force. In order to dynamically test the accuracy of the modeling, the error incurred in satisfying the Germano identity is evaluated. It is found that the dynamic Smagorinksy model generates a very large error, only 3% lower than the worst-case scenario without model. Addition of the similarity or nonlinear term decreases the error by up to about 50%, confirming that it represents a more realistic parameterization than the Smagorinsky model alone.     

A Generalised Multiple Mapping Conditioning Approach for Turbulent Combustion

This paper follows the evolution in understanding of the multiple mapping conditioning (MMC) approach for turbulent combustion and reviews different implementations of MMC models. As the MMC name suggests, the original version represents a consistent combination of CMC-type conditional equations (conditional moment closure) and generalised mapping closure. It seems that the strength of the MMC model, and especially that of its stochastic version, lies in a more general (and much more transparent) interpretation. In this new generalised interpretation, we can replace complicated derivations by physical reasoning and the model appears to be a natural extension of modelling approaches developed in recent decades. MMC can be seen as a methodology for enforcing certain known characteristics of turbulence on a conventional mixing model. This is achieved by localising the mixing operation in a reference space. The reference space variables are selected to emulate the properties of a turbulent flow which have a strong effect on reactive quantities. The best and simplest example is an MMC model which has a single reference variable emulating the mixture fraction. In diffusion flames turbulent fluctuations of reacting quantities are strongly correlated with fluctuations of the mixture fraction. By making mixing local in the reference mixture fraction space a CMC-type mixing closure is enforced. In the original interpretation of MMC the reference variables are modelled as Markov processes. Since the reference variables should emulate properties of turbulent flows as realistically as possible the next step, and the basis of generalised MMC, is to remove the Markovian restriction and set reference variables equal to traced Lagrangian quantities within DNS or LES flow fields. Indeed, no Markov value can emulate the mixture fraction better than the mixture fraction itself. (Using a Markov vector process of dimension higher than the number of conditioning variables represents a more economical alternative for producing reference variables in generalised MMC.) The generalised MMC approach effectively incorporates the mixture fraction-based models, the PDF methods and LES/DNS techniques into a single methodology with possibility of blending useful features developed previously for conventional models. The generalised approach to MMC stimulates a more flexible understanding of simulations using sparsely placed Lagrangian particles as tools that may provide accurate joint distributions of reactive scalars at relatively low computational cost. The physical reasoning behind the new interpretation of MMC is supported by example computations for a partially premixed methane/air diffusion flame (Sandia Flame D). The scheme utilises LES for the dynamic field and a sparse-Lagrangian filtered density function method with MMC mixing for the scalar field. Two different particle mixing schemes are tested. Simulations are performed using only 35,000 Lagrangian particles (of these only 10,000 are chemically active) on a single workstation. The relatively low computational cost allows the use of realistic chemical kinetics containing 34 reactive species and 219 reactions. Intended for publication in the special issue of Flow, Turbulence and Combustion arising from the 2nd ECCOMAS Thematic Conference on Computational Combustion held at Delft in mid-2007.     

Assessment of the modulated gradient model in decaying isotropic turbulence

A recently introduced nonlinear model undergoes evaluations based on two isotropic turbulent cases: a University of Wiscosion-Madison case at a moderate Reynolds number and a Johns Hopkins University case at a high Reynolds number. The model uses an estimation of the subgrid-scale (SGS) kinetic energy to model the magnitude of the SGS stress tensor, and uses the normalized velocity gradient tensor to model the structure of the SGS stress tensor. Testing is performed for the first case through a comparison between direct numerical simulation (DNS) results and large eddy simulation (LES) results regarding resolved kinetic energy and energy spectrum. In the second case, we examine the resolved kinetic energy, the energy spectrum, as well as other key statistics including the probability density functions of velocities and velocity gradients, the skewness factors, and the flatness factors. Simulations using the model are numerically stable, and results are satisfactorily compared with DNS results and consistent with statistical theories of turbulence.     

A Similarity Subgrid Model for Premixed Turbulent Combustion

The accuracy of large-eddy simulation (LES) of a turbulent premixed Bunsen flame is investigated in this paper. To distinguish between discretization and modeling errors, multiple LES, using different grid sizes h but the same filterwidth Δ, are compared with the direct numerical simulation (DNS). In addition, LES using various values of Δ but the same ratio Δ/h are compared. The chemistry in the LES and DNS is parametrized with the standard steady premixed flamelet for stochiometric methane-air combustion. The subgrid terms are closed with an eddy-viscosity or eddy-diffusivity approach, with an exception of the dominant subgrid term, which is the subgrid part of the chemical source term. The latter subgrid contribution is modeled by a similarity model based upon 2Δ, which is found to be superior to such a model based upon Δ. Using the 2Δ similarity model for the subgrid chemistry the LES produces good results, certainly in view of the fact that the LES is completely wrong if the subgrid chemistry model is omitted. The grid refinements of the LES show that the results for Δ = h do depend on the numerical scheme, much more than for h = Δ/2 and h = Δ/4. Nevertheless, modeling errors and discretization error may partially cancel each other; occasionally the Δ = h results were more accurate than the h ≤ Δ results. Finally, for this flame LES results obtained with the present similarity model are shown to be slightly better than those obtained with standard β-pdf closure for the subgrid chemistry.     

Analysis and Modeling of the Turbulent Diffusion of Turbulent Kinetic Energy in Natural Convection

Buoyant flows often contain regions with unstable and stable thermal stratification from which counter gradient turbulent fluxes are resulting, e.g. fluxes of heat or of any turbulence quantity. Basing on investigations in meteorology an improvement in the standard gradient-diffusion model for turbulent diffusion of turbulent kinetic energy is discussed. The two closure terms of the turbulent diffusion, the velocity-fluctuation triple correlation and the velocity-pressure fluctuation correlation, are investigated based on Direct Numerical Simulation (DNS) data for an internally heated fluid layer and for Rayleigh–Bénard convection. As a result it is decided to extend the standard gradient-diffusion model for the turbulent energy diffusion by modeling its closure terms separately. Coupling of two models leads to an extended RANS model for the turbulent energy diffusion. The involved closure term, the turbulent diffusion of heat flux, is studied based on its transport equation. This results in a buoyancy-extended version of the Daly and Harlow model. The models for all closure terms and for the turbulent energy diffusion are validated with the help of DNS data for internally heated fluid layers with Prandtl number Pr = 7 and for Rayleigh–Bénard convection with Pr = 0.71. It is found that the buoyancy-extended diffusion model which involves also a transport equation for the variance of the vertical velocity fluctuation gives improved turbulent energy diffusion data for the combined case with local stable and unstable stratification and that it allows for the required counter gradient energy flux.     

二维曲壁扩压器内湍流边界层分离的研究

本文应用二维双色四光束激光多普勒测速仪和压强探针样细地测量了二维非对称曲面扩张通道内的不可压湍流边界层分离流动，得到了时均速度和雷诺剪应力以及正反向间歇流动因子和静压分布。实验结果分析表明；湍流边界层分离时，沿边界层高度方向存在着明显的压强差。压强差的极小值对应于位移厚度曲率的极大值和瞬时间歇分离点。Ｂａｒｄｉｎａ对数尾迹律可以较好地描述瞬时间歇分离点之前的边界层速度分布，但无法描述分离的边界层速     

From Two-Point Closures of Isotropic Turbulence to LES of Shear Flows

We first recall the EDQNM two-point closure approach of three-dimensional isotropic turbulence. It allows in particular prediction of the infrared kinetic-energy dynamics (with ak ₄ backscatter) and the associated time-decay law of kinetic-energy, useful in particular for one-point closure modelling. Afterwards, we show how the spectral eddy viscosity concept may be used for large-eddy simulations: we introduce the plateau-peak model and the spectral-dynamic models. They are applied to decaying isotropic turbulence, and allow recovery of the EDQNM infrared energy dynamics. Anew infrared k ₂ law for the pressure spectrum, predicted by the closure, is also well verified. Assuming that subgrid scales are not too far from isotropy, the spectral-dynamic model is applied to the channel flow at h ₊= 390, with statistics in very good agreement with DNS, while reducing considerably the computational time. We study with the aid of DNS and LES the case of the channel rotating about an axis of spanwise direction. The calculations allow to recover the universal linear behaviour of the mean velocity profile, with a local Rossby number equal to −1. We present also LES (using the Grenoble Filtered Structure-Function Model), of a turbulent boundary layer passing over a cavity. Finally, we make some remarks on the future of LES for industrial applications. This revised version was published online in July 2006 with corrections to the Cover Date.     

A Stable Pressure-Correction Scheme for Time-Accurate Non-Premixed Combustion Simulations

An efficient time accurate algorithm is presented for numerical simulations of low-Mach number variable density flows in the context of non-premixed flames. The algorithm is based on a segregated solution formalism in the class of pressure-correction methods. It shows good conservation properties and returns stable results, regardless of the difference in density between neighboring cells. In the illustrative example, a flamesheet model is used to describe the combustion of fuel and oxidizer. The stability of the method is discussed for a 1D channel flow, containing both fuel and oxidizer. Results for a 2D testcase of a reacting mixing layer are also shown. Bart Merci is a postdoctoral fellow of the Fund of Scientific Research - Flanders (Belgium) (FWO-Vlaanderen).     

Application of PDF Modeling to Swirling and Nonswirling Turbulent Jets

The turbulence modeling in probability density function (PDF) methods is studied through applications to turbulent swirling and nonswirling co-axial jets and to the temporal shear layer. The PDF models are formulated at the level of either the joint PDF of velocity and turbulent frequency or the joint PDF of velocity, wave vector, and turbulent frequency. The methodology of wave vector models (WVMs) is based on an exact representation of rapidly distorted homogeneous turbulence, and several models are constructed in a previous paper [1]. A revision to a previously presented conditional-mean turbulent frequency model [2] is constructed to improve the numerical implementation of the model for inhomogeneous turbulent flows. A pressure transport model is also implemented in conjunction with several velocity models. The complete model yields good comparisons with available experimental data for a low swirl case. The individual models are also assessed in terms of their significance to an accurate solution of the co-axial jets, and a comparison is made to a similar assessment for the temporal shear layer. The crucial factor in determining the quality of the co-axial jet simulations is demonstrated to be the proper specification of a parameter ratio in the modeled source of turbulent frequency. The parameter specification is also shown to be significant in the temporal shear layer.     

Numerical simulation of turbulence suppression: Comparisons of the performance of four k-? turbulence models

The standard k-ε model and three low-Reynolds number k-ε models were used to simulate pipe flow with a ring device installed in the near-wall region. Both developing and fully developed turbulent pipe flows have been investigated. Turbulence suppression for fully developed pipe flows revealed by hot-wire measurements has been predicted with all three low-Reynolds number models, and turbulence enhancement has been predicted by the standard k-ε model. All three low-Reynolds number models have predicted similar distributions of velocities, turbulence kinetic energy, and dissipation rate. For developing pipe flows, the region of turbulence suppression predicted by the three low-Reynolds number models is much more extensive (up to 30 pipe diameters downstream of the device) than for full developed flow; whereas the standard k-ε model has only predicted turbulence enhancement.     

A-Priori Validation of Scalar Dissipation Rate Models for Turbulent Non-Premixed Flames

The modelling of scalar dissipation rate in conditional methods for large-eddy simulations is investigated based on a priori direct numerical simulation analysis using a dataset representing an igniting non-premixed planar jet flame. The main objective is to provide a comprehensive assessment of models typically used for large-eddy simulations of non-premixed turbulent flames with the Conditional Moment Closure combustion model. The linear relaxation model gives a good estimate of the Favre-filtered scalar dissipation rate throughout the ignition with a value of the related constant close to the one deduced from theoretical arguments. Such value of the constant is one order of magnitude higher than typical values used in Reynolds-averaged approaches. The amplitude mapping closure model provides a satisfactory estimate of the conditionally filtered scalar dissipation rate even in flows characterised by shear driven turbulence and strong density variation.

     

A General Algebraic Formulation for Multi-parameter Dynamic Subgrid-scale Modeling

This paper proposes a general algebraic formulation able lo unify all the previous developments in (he frame of subgrid-scale modeling using dynamic mixed models. This formulation can serve as a guide for the design of new multi-parameter SGS models. All usual cases of coupling between momentum and energy (or transport) equation are treated formally, and properties of the associated linear or non-linear system are discussed. It is shown thai all the existing models found in the literature can be grouped into a seven-parameter dynamic model, referred to as the Maximal Complexity Dynamic Model (MCDM) A priori lests on this MCDM are carried out for the subsonic plane channel flow problem, which aim at selecting the most important contributions in multi-parameter dynamic models.     

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.     

Exchange of Chemical Species between the Atmospheric Boundary Layer and the Reservoir Layer: An Analytical Interpretation

The exchange of chemical species between the atmospheric boundary layer and the reservoir layer is investigated by means of an analytical solution of the conservation equation of a decaying chemical species. The exchange mechanism is governed by two parameters: the Damköhler number (the ratio of the turbulence time scale to the chemical time scale) and the ratio of a concentration scale in the atmospheric boundary layer to the concentration in the reservoir layer. Depending on the value of these two parameters, the exchange flux between the two layers can vary in sign and by several orders of magnitude. The study demonstrates to what extent chemical transformation determines the transfer of chemical species between the atmospheric boundary layer and the reservoir layer.