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.     

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.     

Large eddy simulation of orientation and rotation of ellipsoidal particles in isotropic turbulent flows

The rotational motion and orientational distribution of ellipsoidal particles in turbulent flows are of significance in environmental and engineering applications. Whereas the translational motion of an ellipsoidal particle is controlled by the turbulent motions at large scales, its rotational motion is determined by the fluid velocity gradient tensor at small scales, which raises a challenge when predicting the rotational dispersion of ellipsoidal particles using large eddy simulation (LES) method due to the lack of subgrid scale (SGS) fluid motions. We report the effects of the SGS fluid motions on the orientational and rotational statistics, such as the alignment between the long axis of ellipsoidal particles and the vorticity, the mean rotational energy at various aspect ratios against those obtained with direct numerical simulation (DNS) and filtered DNS. The performances of a stochastic differential equation (SDE) model for the SGS velocity gradient seen by the particles and the approximate deconvolution method (ADM) for LES are investigated. It is found that the missing SGS fluid motions in LES flow fields have significant effects on the rotational statistics of ellipsoidal particles. Alignment between the particles and the vorticity is weakened; and the rotational energy of the particles is reduced in LES. The SGS-SDE model leads to a large error in predicting the alignment between the particles and the vorticity and over-predicts the rotational energy of rod-like particles. The ADM significantly improves the rotational energy prediction of particles in LES.     

A mixing controlled direct chemistry (MCDC) model for diesel engine combustion modelling using large eddy simulation

A mixing controlled direct chemistry (MCDC) combustion model with sub-grid scale (SGS) mixing effects and chemical kinetics has been evaluated for Large Eddy Simulation (LES) of diesel engine combustion. The mixing effect is modelled by a mixing timescale based on mixture fraction variance and sub-grid scalar dissipation rate. The SGS scalar dissipation rate is modelled using a similarity term and a scaling factor from the analysis of Direct Numerical Simulation (DNS) data. The chemical reaction progress is estimated from a kinetic timescale based on local internal energy change rate and equilibrium state internal energy. An optical research engine operating at conventional operating conditions and Low Temperature Combustion (LTC) conditions was used for evaluation of the combustion model. From the simulation results, the effect of SGS scalar mixing is evaluated at different stages of combustion. In the context of LES, the new approach provides improved engine modelling results compared to the Direct Chemistry Solver (DCS) combustion model.     

A velocity-estimation subgrid model constrained by subgrid scale dissipation

Purely dissipative eddy-viscosity subgrid models have proven very successful in large-eddy simulations (LES) at moderate resolution. Simulations at coarse resolutions where the underlying assumption of small-scale universality is not valid, warrant more advanced models. However, non-eddy viscosity models are often unstable due to the lack of sufficient dissipation. This paper proposes a simple modeling approach which incorporates the dissipative nature of existing eddy viscosity models into more physically appealing non-eddy viscosity SGS models. The key idea is to impose the SGS dissipation of the eddy viscosity model as a constraint on the non-eddy viscosity model when determining the coefficients in the non-eddy viscosity model. We propose a new subgrid scale model (RSEM), which is based on estimation of the unresolved velocity field. RSEM is developed in physical space and does not require the use of finer grids to estimate the subgrid velocity field. The model coefficient is determined such that total SGS dissipation matches that from a target SGS model in the mean or least-squares sense. The dynamic Smagorinsky model is used to provide the target dissipation. Results are shown for LES of decaying isotropic turbulence and turbulent channel flow. For isotropic turbulence, RSEM displays some level of backward dissipation, while yielding as good results as the dynamic Smagorinsky model. For channel flow, the results from RSEM are better than those from the dynamic Smagorinsky model for both statistics and instantaneous flow structures.     

Effects of subgrid scale and combustion modelling on flame structure of a turbulent premixed flame within LES and tabulated chemistry framework

The effects of combustion and SubGrid Scale (SGS) modelling on the overall flame characteristics of a turbulent premixed flame are investigated. This is achieved in terms of mean flow statistics, variances and flame surfaces. In particular, the chemical flame structure is analysed and compared. The Artificially Thickened Flame (ATF) approach coupled with the Flamelet Generated Manifolds (FGMs) and Filtered TAbulated Chemistry for LES (F-TACLES) approaches are used for this investigation. A Germano like procedure for dynamical calculation of SGS wrinkling is used which ensures the conservation of the total flame surface for both models. It turns out that using the dynamic SGS wrinkling model improves the results. Although the results of both combustion models in terms of statistics, mean and variances show very good agreement, the resolved flame surfaces hide different dynamic behaviour.     

A priori analysis of sub-grid variance of a reactive scalar using DNS data of high Ka flames

Direct numerical simulations (DNS) of low and high Karlovitz number (Ka) flames are analysed to investigate the behaviour of the reactive scalar sub-grid scale (SGS) variance in premixed combustion under a wide range of combustion conditions (regimes). An order of magnitude analysis is performed to assess the importance of various terms in the variance evolution equation and the analysis is validated using the DNS results. This analysis sheds light on the relative behaviour among turbulent transport and production, scalar dissipation and chemical processes involved in the evolution of the SGS variance at different Ka. The common expectation is that the variance equation shifts from a reaction-dissipation balance at low Ka to a production–dissipation balance at high Ka with diminishing reaction contribution. However, in large eddy simulation (LES), a high Ka alone does not make the reaction term negligible, as the relative importance of the reaction term has a concurrent increase with filter size. The filter size can be relatively large compared with the Kolmogorov length scale in practical LES of high Ka flames, and as a consequence a reaction–production–dissipation balance may prevail in the variance equation even in a high Ka configuration, and this possibility is quantified using the DNS analysis in this work. This has implications from modelling perspectives, and therefore two commonly used closures in LES for the SGS scalar dissipation rate are investigated a priori to estimate the importance of the above balance in LES modelling. The results are explained to highlight the interplay among turbulence, chemistry and dissipation processes as a function of Ka.     

Experimental study of velocity-scalar filtered joint density function for LES of turbulent combustion

The velocity-scalar filtered joint density function (FJDF) used in large eddy simulation (LES) of turbulent combustion is experimentally studied. Measurements are made in the fully developed region of an axisymmetric turbulent jet using an array consisting of three X-wires and resistance-wire temperature sensors. Filtering in the cross-stream and streamwise directions is realized by using the array and by invoking Taylor’s hypothesis, respectively. The means of the FJDF conditional on the subgrid-scale (SGS) turbulent kinetic energy and the SGS scalar variance at a given location range from close to joint normal to bimodal with the peaks separated in both velocity and scalar spaces, which correspond to qualitatively different mixing regimes. For close to joint normal FJDFs, the SGS fields are well mixed. For bimodal FJDFs, the conditionally filtered scalar diffusion and dissipation strongly depend on the SGS velocity and scalar, consistent with a combination of diffusion layers and plane strain in the SGS fields, which is similar to the counter-flow model for laminar flamelets. The results suggest that in LES, both mixing regimes could potentially be modeled accurately. The velocity field affects the SGS variance and the filtered scalar dissipation rate primarily by changing the degree of nonequilibrium of the SGS scalar and the SGS time scale, respectively. This study further demonstrates the importance of including velocity in mixing models.     

一种改进后的亚格子特征尺度表达式

针对大涡模拟涡粘性亚格子模式中使用网格尺度为特征尺度存在的不足,提出一种改进的亚格子特征尺度表达式,利用结合Sagaut混合尺度模式获得的改进模式与Smagorinsky模式、Germano模式和Sagaut模式等进行对比研究.时间发展混合层和中性大气边界层的大涡模拟结果表明,改进的有效亚格子特征尺度能合理反映亚格子脉动的时空分布特性,同时扩展了适用范围.在对耗散程度、流动演化过程、可解湍流强度和可解雷诺应力等方面的模拟,改进模式优于基准模式,表明亚格子脉动有效特征尺度在大涡模拟中具有一定的理论基础和广泛的应用价值.     

LES-CMC simulations of a turbulent bluff-body flame

The large Eddy simulations (LES)-conditional moment closure (CMC) method with detailed chemistry is applied to a bluff-body stabilized flame. Computations of the velocity and mixture fraction fields show good agreement with the experiments. Temperature and major species are well-predicted throughout the flame with the exception of the flow regions in the outer shear layer close to the nozzle where the pure mixing between hot recirculating products and fresh oxidizer cannot be captured. LES-CMC generally improves on results obtained with RANS-CMC and on LES that uses one representative flamelet to model the dependence of reactive species on mixture fraction. Simulated CO mass fractions are generally in good agreement with the experimental data although a 10% overprediction can be found at downstream positions. NO predictions show a distinct improvement over the flamelet approach, however, simulations overpredict NO mass fractions at all downstream locations due to an overprediction of temperature close to the nozzle. The potential of LES-CMC to predict unsteady finite rate effects is demonstrated by the prediction of endothermic—or “flame cooling”—regions close to the neck of the recirculation zone that favours ethylene production via the methane fuel decomposition channel.     

Identification and analysis of instability in non-premixed swirling flames using LES

Large eddy simulations (LES) of turbulent non-premixed swirling flames based on the Sydney swirl burner experiments under different flame characteristics are used to uncover the underlying instability modes responsible for the centre jet precession and large scale recirculation zone. The selected flame series known as SMH flames have a fuel mixture of methane-hydrogen (50:50 by volume). The LES solves the governing equations on a structured Cartesian grid using a finite volume method, with turbulence and combustion modelling based on the localised dynamic Smagorinsky model and the steady laminar flamelet model respectively. The LES results are validated against experimental measurements and overall the LES yields good qualitative and quantitative agreement with the experimental observations. Analysis showed that the LES predicted two types of instability modes near fuel jet region and bluff body stabilised recirculation zone region. The mode I instability defined as cyclic precession of a centre jet is identified using the time periodicity of the centre jet in flames SMH1 and SMH2 and the mode II instability defined as cyclic expansion and collapse of the recirculation zone is identified using the time periodicity of the recirculation zone in flame SMH3. Finally frequency spectra obtained from the LES are found to be in good agreement with the experimentally observed precession frequencies.     

The effect of subgrid-scale models on the entrainment of a passive scalar in a turbulent planar jet

Classical large-eddy simulation (LES) modelling assumes that the passive subgrid-scale (SGS) models do not influence large-scale quantities, even though there is now ample evidence of this in many flows. In this work, direct numerical simulation (DNS) and large-eddy simulations of turbulent planar jets at Reynolds number Re_H = 6000 including a passive scalar with Schmidt number Sc = 0.7 are used to study the effect of several SGS models on the flow integral quantities e.g. velocity and scalar jet spreading rates. The models analysed are theSmagorinsky, dynamic Smagorinsky, shear-improved Smagorinsky and the Vreman. Detailed analysis of the thin layer bounding the turbulent and non-turbulent regions – the so-called turbulent/non-turbulent interface (TNTI) – shows that this region raises new challenges for classical SGS models. The small scales are far from equilibrium and contain a high fraction of the total kinetic energy and scalar variance, but the situation is worse for the scalar than for the velocity field. Both a-priori and a-posteriori (LES) tests show that the dynamic Smagorinsky and shear-improved models give the best results because they are able to accurately capture the correct statistics of the velocity and passive scalar fluctuations near the TNTI. The results also suggest the existence of a critical resolution Δ_x, of the order of the Taylor scale λ, which is needed for the scalar field. Coarser passive scalar LES i.e. Δ_x ≥ λ results in dramatic changes in the integral quantities. This fact is explained by the dynamics of the small scales near the jet interface.     

甲烷平面射流扩散火焰的大涡模拟

本文对甲烷-空气平面自由射流扩散火焰进行了大涡模拟,采用分步投影法求解动量方程,湍流亚格子项采用动态模式模拟,化学反应速率亚格子项采用动态相似模式模拟,压力泊松方程采用修正的循环消去法快速求解,空间方向采用二阶精度的差分格式,在时间方向上采用二阶精度的显式差分格式。模拟结果给出了湍流扩散火焰的瞬态发展变化过程,表明射流扩散火焰的发展过程存在着“湍流控制”和“化学反应控制”两个不同阶段。 “湍流控制”阶段仅存在于火焰发展初期的极短时间内。     

Large-eddy simulation of MILD combustion using partially stirred reactor approach

Subgrid-scale (SGS) parameterization and method for calculating filtered reaction rate are critical components of an accurate large-eddy simulation (LES) of turbulent flames. In this study, we integrate gradient-type structural SGS models with a partially stirred reactor approach by using detailed chemical kinetics to simulate a turbulent methane/hydrogen jet flame under moderate or intense low-oxygen dilution (MILD) conditions. The study examines two oxygen dilution levels. The framework is assessed through a systematic and comprehensive comparison of temperature, and mass fractions of major and minor species with experimental data and other reference simulation results. Overall, the statistics of the combustion field show excellent agreement with measurements at different axial locations, and a significant improvement compared to some previous simulations. It suggests that the proposed nonlinear LES framework is able to accurately model MILD combustion with reasonable computational cost.     

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 mixed subgrid-scale model for large eddy simulation of turbulent drag-reducing flows of viscoelastic fluids

A mixed subgrid-scale(SGS) model based on coherent structures and temporal approximate deconvolution(MCT) is proposed for turbulent drag-reducing flows of viscoelastic fluids. The main idea of the MCT SGS model is to perform spatial filtering for the momentum equation and temporal filtering for the conformation tensor transport equation of turbulent flow of viscoelastic fluid, respectively. The MCT model is suitable for large eddy simulation(LES) of turbulent dragreducing flows of viscoelastic fluids in engineering applications since the model parameters can be easily obtained. The LES of forced homogeneous isotropic turbulence(FHIT) with polymer additives and turbulent channel flow with surfactant additives based on MCT SGS model shows excellent agreements with direct numerical simulation(DNS) results. Compared with the LES results using the temporal approximate deconvolution model(TADM) for FHIT with polymer additives, this mixed SGS model MCT behaves better, regarding the enhancement of calculating parameters such as the Reynolds number.For scientific and engineering research, turbulent flows at high Reynolds numbers are expected, so the MCT model can be a more suitable model for the LES of turbulent drag-reducing flows of viscoelastic fluid with polymer or surfactant additives.     

Large eddy simulation of turbulent premixed flames using level-set G-equation

Level-set G-equation and stationary flamelet chemistry are used in large eddy simulation of a propane/air premixed turbulent flame stabilized by a bluff body. The aim was to study the interaction between the flame front and turbulent eddies, and in particular to examine the effect of sub-grid scale (SGS) eddies on the wrinkling of the flame surface. The results indicated that the two types of turbulence eddies—the resolved large scale eddies and the unresolved SGS eddies—have different effects on the flame. The fluctuation of the flame surface, which is responsible for the broadening of the time averaged mean flame brush by turbulence, depends on the large resolved turbulence eddies. Time averaged mean flow velocity, temperature, and major species concentrations mainly depend on the large scale resolved eddies. The unresolved SGS eddies contribute to the wrinkling at the SGS level and play an important role in the enhancement of the propagation speed of the resolved flame front. In addition, the spatially filtered intermediate species, such as radicals, and the spatially filtered reaction rates strongly depend on the small SGS eddies. The asymptotic behavior of flame wrinkling by the SGS eddies, with respect to the decrease in filter size and grid size, is investigated further using a simplified level-set equation in a model shear flow. It is shown that to minimize the influence of the SGS eddies, fine grid and filter size may have to be used.     

Large-eddy simulation of decaying isotropic turbulence across a grid refinement interface using explicit filtering and reconstruction

This paper explores numerical errors that arise when large-eddy simulation (LES) is used with adaptive mesh refinement (AMR). LES and AMR combined can reduce the computational cost of turbulence simulations compared to direct numerical simulations, but are rarely used together due to complications that arise with the application of the turbulence closure model at different grid resolutions. Errors appear at grid refinement interfaces due to dependence of computed quantities on the LES filter width and insufficient smoothness of the solution at the grid scale. Here, explicit filtering and approximate reconstruction of the unfiltered velocity field are used to mitigate the effects of these errors in a simulation of decaying isotropic turbulence advected past a grid refinement interface. In particular, different explicit filter types and levels of reconstruction are tested. Explicit filtering with zero-level reconstruction is found to produce the best long-term convergence to a uniform grid solution with minimum perturbation at the interface. Higher levels of reconstruction yield better near-interface convergence. When explicit filtering is used, the explicit filter width transition is more important than the grid spacing transition in terms of solution convergence and interface perturbation. These results inform the use of LES on more complicated AMR grids.     

Subgrid combustion modeling of 3-D premixed flames in the thin-reaction-zone regime

Large eddy simulation (LES) is used to investigate three-dimensional (3D) lean premixed turbulent methane–air flames in the thin-reaction-zone regime. In this regime, the Kolmogorov scale is smaller than the preheat zone thickness, but larger than the reaction zone thickness. Past numerical studies of similar flames were primarily direct numerical simulation either in two-dimensions or using the artificially thickened flame approach in 3D. For an LES the effect of small (unresolved) scales on the scalar field must be, modeled accurately to capture the correct flame structure. A subgrid combustion model based on the linear-eddy-mixing (LEM) model is used within an LES framework (called LEM–LES hereafter) to capture the 3D flame-structure of the highly stretched premixed flames. A finite-rate, one-step methane–air chemistry with a non-unity Lewis number formulation is used in this study. The simulated flame structure resembles flames experimentally studied in the thin-reaction-zone regime. Even though the preheat zone is broadened by the penetration of small eddies, the chemical reaction zone remains thin and localized. This feature is captured properly in the current LEM–LES approach. The flame structure and other statistics such as the flame area evolution, curvature, and strain-rate statistics computed using the LEM–LES are also in good agreement with the past DNS studies.     

Multi-scale properties of large eddy simulations: correlations between resolved-scale velocity-field increments and subgrid-scale quantities

We provide analytical and numerical results concerning multi-scale correlations between the resolved velocity field and the subgrid-scale (SGS) stress-tensor in large eddy simulations (LES). Following previous studies for Navier–Stokes equations, we derive the exact hierarchy of LES equations governing the spatio-temporal evolution of velocity structure functions of any order. The aim is to assess the influence of the subgrid model on the inertial range intermittency. We provide a series of predictions, within the multifractal theory, for the scaling of correlation involving the SGS stress and we compare them against numerical results from high-resolution Smagorinsky LES and from a-priori filtered data generated from direct numerical simulations (DNS). We find that LES data generally agree very well with filtered DNS results and with the multifractal prediction for all leading terms in the balance equations. Discrepancies are measured for some of the sub-leading terms involving cross-correlation between resolved velocity increments and the SGS tensor or the SGS energy transfer, suggesting that there must be room to improve the SGS modelisation to further extend the inertial range properties for any fixed LES resolution.