H_2/N_2/O_2射流扩散火焰的直接数值模拟

直接数值模拟(DNS),大涡模拟(LES)与雷诺时均模拟(RANS)是数值模拟燃烧流动的三大主要方法,而射流扩散火焰在燃烧理论,实验研究与数值模拟中都扮演着十分重要的角色,本文采用完全可压缩的Naive-Stokes方程,对喷口直径为D=1 mm,Re=2000的射流扩散火焰进行了直接数值模拟.本文首先分析了冷态时H_2,O_2的混合,发现燃料与氧气在流向长度大于6D后的区域混合得十分充分.随后本文分析了燃烧后的统计特性,主要包括速度场,密度,温度以及主要组分与混合分数的分布,并将DNS结果与实验结果进行对比分析.     

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.     

Large Eddy Simulation composition equations for single-phase and two-phase fully multicomponent flows

The Large Eddy Simulation (LES) equations for multicomponent (MC) fuel single-phase (SP) flow and two-phase (TP) flow with phase change are derived from the Direct Numerical Simulation (DNS) equations by filtering the DNS equations using a top-hat filter. Additional to the equations solved for single-component (SC) fuels, composition equations enter the formulation. The species composition is represented through a Probability Distribution Function (PDF), and DNS equations for the PDF moments are solved to find the composition. The TP filtered equations contain three categories of subgrid-scale (SGS) terms: (1) SGS–flux terms, (2) filtered source terms (FSTs) and (3) terms representing the ‘LES assumptions’. For SP flows no FSTs exist. The SGS terms in the LES equations must be either shown negligible or modeled. It is shown that for the composition equations, two equivalent forms of the DNS equations lead to two non-equivalent forms of the LES equations. Criteria are proposed to select the form best suited for LES. These criteria are used in conjunction with evaluations based on a DNS database portraying mixing and phase change, and lead to choosing one of the LES forms which satisfies all criteria. It is shown that the LES assumptions lead to additional SGS terms which require modeling. Further considerations are made for reactive flows.     

Proposed stochastic parameterisations of subgrid turbulence in large eddy simulations of turbulent channel flow

Stochastic and deterministic subgrid parameterisations are developed for the large eddy simulation (LES) of a turbulent channel flow with friction-velocity-based Reynolds number of Re_τ = 950 and centreline-based Reynolds number of Re₀ = 20,580. The subgrid model coefficients (eddy viscosities) are determined from the statistics of truncated reference direct numerical simulations (DNSs). The stochastic subgrid model consists of a mean-field shift, a drain eddy viscosity acting on the resolved field and a stochastic backscatter force of variance proportional to the backscatter eddy viscosity. The deterministic variant consists of a net eddy viscosity acting on the resolved field, which represents the net effect of the drain and backscatter. LES adopting the stochastic and deterministic models is shown to reproduce the time-averaged kinetic energy spectra of the DNS within the resolved scales.     

Assessment of dynamic closure for premixed combustion large eddy simulation

Turbulent piloted Bunsen flames of stoichiometric methane–air mixtures are computed using the large eddy simulation (LES) paradigm involving an algebraic closure for the filtered reaction rate. This closure involves the filtered scalar dissipation rate of a reaction progress variable. The model for this dissipation rate involves a parameter β_c representing the flame front curvature effects induced by turbulence, chemical reactions, molecular dissipation, and their interactions at the sub-grid level, suggesting that this parameter may vary with filter width or be a scale-dependent. Thus, it would be ideal to evaluate this parameter dynamically by LES. A procedure for this evaluation is discussed and assessed using direct numerical simulation (DNS) data and LES calculations. The probability density functions of β_c obtained from the DNS and LES calculations are very similar when the turbulent Reynolds number is sufficiently large and when the filter width normalised by the laminar flame thermal thickness is larger than unity. Results obtained using a constant (static) value for this parameter are also used for comparative evaluation. Detailed discussion presented in this paper suggests that the dynamic procedure works well and physical insights and reasonings are provided to explain the observed behaviour.     

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.     

Influences of subgrid scale dynamics on resolvable scale statistics in large-eddy simulations

Recently, the -expansion and recursive renormalization group (RNG) theories as well as approximate inertial manifolds (AIM) have been exploited as means of systematically modeling subgrid scales in large-eddy simulations (LES). Although these theoretical approaches are rather complicated mathematically, their key approximations can be investigated using direct numerical simulations (DNS). In fact, the differences among these theories can be traced to whether they retain or neglect interactions between the subgrid-subgrid and subgrid-resolvable scales. In this paper, we focus on the influence of these two interactions on the evolution of the resolvable scales in LES: the effect^A which keeps only the interactions between the small and large scales; and, the effect^B which, on the other hand, keeps only the interactions among the subgrid-subgrid scales. The performance of these models is analyzed using the velocity fields of the direct numerical simulations. Specifically, our comparison is based on the analysis of the energy and enstrophy spectra, as well as higher-order statistics of the velocity and velocity derivatives. We found that the energy spectrum and higher-order statistics for the simulations with the effect^A (referred to, hereafter, as model^A) are in very good agreement with the filtered DNS. The comparison between the computations with effect^B (referred to, hereafter, as model^B) and the filtered DNS, however, is not satisfactory. Moreover, the decorrelation between the filtered DNS and model^A is much slower than that of the filtered DNS and model^B. Therefore, we conclude that the model^A, taking into acciunt the interactions between the subgrid and resolvable scales, is a faithful subgrid model for LES for the range of Reynolds numbers considered.     

Modeling subfilter soot-turbulence interactions in Large Eddy Simulation: An a priori study

A new LES model for subfilter soot-turbulence interactions is developed based on an a priori analysis using large-scale DNS data of temporally evolving non premixed n-heptane jet flames at a jet Reynolds number of 15,000. In this work, soot formation is modeled in LES by solving explicit transport equations for soot moments, and the unclosed filtered soot moment source terms are closed by a presumed PDF approach. Due to the strong intermittency of soot fields, a previous modeling approach assumes the presumed PDF to be bimodal accounting for sooting and non-sooting subfilter regions but neglects any sub-structure of the soot distribution. In this work, the modeling framework is improved by a new presumed PDF model that explicitly accounts for the sub-structure of the sooting mode, which is modeled by a log-normal distribution. The previous and new models are assessed by means of their prediction of the filtered source terms and the filtered intermittency, and the log-normal distribution is found to significantly reduce modeling errors, in particular, for the coagulation source term. Introducing a log-normal distribution for the PDF of the sooting mode involves a large amount of additional model parameters, such as the width of the distribution and correlation coefficients among different soot moments, so model assumptions to reduce the number of model parameters are discussed by means of the DNS data. The conclusions are found to be robust with respect to a variation in the global Damköhler number in the DNS datasets. The final model formulation only requires solving two additional transport equations in LES compared to previous models, while significantly improved model predictions are obtained for the coagulation source term which is import for predicting the number of soot particles.     

Evaluation of deconvolution modelling applied to numerical combustion

A possible modelling approach in the large eddy simulation (LES) of reactive flows is to deconvolve resolved scalars. Indeed, by inverting the LES filter, scalars such as mass fractions are reconstructed. This information can be used to close budget terms of filtered species balance equations, such as the filtered reaction rate. Being ill-posed in the mathematical sense, the problem is very sensitive to any numerical perturbation. The objective of the present study is to assess the ability of this kind of methodology to capture the chemical structure of premixed flames. For that purpose, three deconvolution methods are tested on a one-dimensional filtered laminar premixed flame configuration: the approximate deconvolution method based on Van Cittert iterative deconvolution, a Taylor decomposition-based method, and the regularised deconvolution method based on the minimisation of a quadratic criterion. These methods are then extended to the reconstruction of subgrid scale profiles. Two methodologies are proposed: the first one relies on subgrid scale interpolation of deconvolved profiles and the second uses parametric functions to describe small scales. Conducted tests analyse the ability of the method to capture the chemical filtered flame structure and front propagation speed. Results show that the deconvolution model should include information about small scales in order to regularise the filter inversion. a priori and a posteriori tests showed that the filtered flame propagation speed and structure cannot be captured if the filter size is too large.     

LES studies of the flow in a swirl gas combustor

Environmental and other practical concerns have led to the development of compact gas turbine combustors burning lean mixtures leading to potentially low CO and NO_x emissions. The compact design requires efficient atomization and mixing together with a compact premixed flame. Associated with these requirements are higher temperatures, increased heat transfer, and thermal load, thus increasing the danger of combustion instabilities (causing performance deterioration and excessive mechanical loads), and possible off-design operation. Numerical simulations of reacting flows are well suited to address these issues. To this end, large eddy simulation (LES) is particularly promising. The philosophy behind LES is to explicitly simulate the large scales of the flow and the thermochemistry, affected by boundary conditions whilst modeling only the small scales, including the interaction between the flow and the combustion processes. Here, we examine the flow and the flame in a model gas turbine combustor (General Electric’s lean premixed dry low NO_x LM6000) to evaluate the potential of LES for design studies of engineering applications and to study the effects of the combustor confinement geometry on the flow and on the flame dynamics. Two LES models, a Monotone Integrated LES model with 1 and 2 step Ahrrenius chemistry, and a fractal flame-wrinkling LES model coupled to a conventional one-equation eddy-viscosity subgrid model, are used. Reasonable agreement is found when comparing predictions with experimental data and with other LES computations of the same case. Furthermore, the combustor confinement geometry is found to strongly affect the vortical flow, and hence also the flame and its dynamics.     

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.     

Turbulent scalar fluxes in H2-air premixed flames at low and high Karlovitz numbers

The statistical behaviour and closure of sub-grid scalar fluxes in the context of turbulent premixed combustion have been assessed based on an a priori analysis of a detailed chemistry Direct Numerical Simulation (DNS) database consisting of three hydrogen-air flames spanning the corrugated flamelets (CF), thin reaction zones (TRZ) and broken reaction zones (BRZ) regimes of premixed turbulent combustion. The sub-grid scalar fluxes have been extracted by explicit filtering of DNS data. It has been found that the conventional gradient hypothesis model is not appropriate for the closure of sub-grid scalar flux for any scalar in the context of a multispecies system. However, the predictions of the conventional gradient hypothesis exhibit a greater level of qualitative agreement with DNS data for the flame representing the BRZ regime. The aforementioned behaviour has been analysed in terms of the properties of the invariants of the anisotropy tensor in the Lumley triangle. The flames in the CF and TRZ regimes are characterised by a pronounced two-dimensional anisotropy due to strong heat release whereas a three-dimensional and more isotropic behaviour is observed for the flame located in the BRZ regime. Two sub-grid scalar flux models which are capable of predicting counter-gradient transport have been considered for a priori DNS assessment of multispecies systems and have been analysed in terms of both qualitative and quantitative agreements. By combining the latter two sub-grid scalar flux closures, a new modelling strategy is suggested where one model is responsible for properly predicting the conditional mean accurately and the other model is responsible for the correlations between model and unclosed term. Detailed physical explanations for the observed behaviour and an assessment of existing modelling assumptions have been provided. Finally, the classical Bray–Moss–Libby theory for the scalar flux closure has been extended to address multispecies transport in the context of large eddy simulations.     

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.     

Evaluation of assumed-PDF methods in two-phase flows using direct numerical simulation

The hypothesis of uncorrelated temperature (T) and vapor-fuel mass fraction (Y_v), frequently made when modeling reaction rates using assumed-PDF models, is examined utilizing transitional databases from direct numerical simulation (DNS) of three-dimensional mixing-layers two-phase (TP) flows with evaporation. Because the databases do not contain chemical reaction, which would further correlate variables, finding here a correlation between T and Y_v is sufficient for invalidating reaction rate modeling of the joint (T, Y_v) probability distribution function (PDF) as a product of the marginal PDFs. The databases comprise four multicomponent fuels, two mass loadings and two free-stream gas temperatures. For comparison, databases for single-phase (SP) flows are also analyzed at two initial Reynolds numbers. The examination is conducted in the mixing layer excluding the free streams and in a more restricted part of the mixing layer constituting its core. The analysis is performed at the DNS and large eddy simulation (LES) scales, and subgrid scale (SGS). To obtain the LES database, the DNS database is filtered, and an evaluation of the examined correlation at the LES and SGS scales is made at two filter sizes. At the DNS scale, T and Y_v are practically uncorrelated for SP flows, showing the weak influence of the perfect-gas equation of state, whereas for TP flows the correlation is strong and increases with mass loading indicating the powerful effect of the phase change. At the LES scale, the findings emulate those at the DNS scale. The fluctuations of the SGS scale are uncorrelated for SP flows, but the product of the marginal PDFs is different from the joint PDF. For TP flows, the fluctuations are correlated and the correlation increases with temperature, casting doubt on current assumed PDFs used to model chemistry in reacting sprays. These results are independent of filter size. The joint PDFs for TP and SP fluctuations are successfully modeled.     

模型加力燃烧室燃烧流场的并行计算

本文采用基于MPI的并行算法,采用动态内存分配、分区算法和多点重合交错网格系统,在贴体网格下对带V形槽稳定器模型加力燃烧室素流化学反应流场进行数值模拟,湍流模型采用k方程亚网格尺度模型,燃烧模型采用亚网格EBU模型,采用热通量辐射模型估算辐射通量。计算结果表明并行计算对复杂形状的化学反应流动计算效率很高,是模拟大规模的燃烧问题的有力工具。     

Large Eddy Simulations of a piloted lean premix jet flame using finite-rate chemistry

A Large Eddy Simulation (LES) model capable of accurately representing finite-rate chemistry effects in turbulent premixed combustion is presented. The LES computations use finite-rate chemistry and implicit LES combustion modelling to simulate an experimentally well-documented lean-premixed jet flame stabilized by a stoichiometric pilot. The validity of the implicit LES assumption is discussed and criteria are expressed in terms of subgrid scale Damköhler and Karlovitz numbers. Simulation results are compared to experimental data for velocity, temperature and species mass fractions of CH₄, CO and OH. The simulation results highlight the validity and capability of the present approach for the flame and in general the combustion regime examined. A sensitivity analysis to the choice of the finite-rate chemistry mechanism is reported, this analysis indicates that the one and two-step global reaction mechanisms evaluated fail to capture the reaction layer with sufficient accuracy, while a 20-species skeletal mechanism reproduces the experimental observations accurately including the key finite-rate chemistry indicators CO and OH. The LES results are shown to be grid insensitive and that the grid resolution within the bounds examined is far less important compared to the sensitivity of the finite-rate chemistry representation. The results are analyzed in terms of the flame dynamics and it is shown that intense small scale mixing (high Karlovitz number) between the pilot and the jet is an important mechanism for the stabilization of the flame.     

各向同性紊流能量衰减的大涡模拟

在多重网格驱动的,高效且得到充分验证的有限体积方法的基础上发展了可压缩流大涡模拟的方法.空间离散采用Jameson的中心格式附加二阶和四阶耗散的方法,时间推进则采用了双时间步长的方法.亚格子剪切应力张量和亚格子热通量用Smagorinsky模型进行模拟.通过对各向同性紊流能量衰减的模拟来验证本方法的准确性和高效性,模拟得到的能量谱和紊流动能衰减历程与过滤后的CBC实验数据吻合良好.     

Simulation of spray combustion in a lean-direct injection combustor

Large-eddy simulation (LES) of a liquid-fueled lean-direct injection (LDI) combustor is carried out by resolving the entire inlet flow path through the swirl vanes and the combustor. A localized dynamic subgrid closure is combined with a subgrid mixing and combustion model so that no adjustable parameters are required for both non-reacting and reacting LES. Time-averaged velocity predictions compare well with the measured data. The unsteady flow features that play a major role in spray dispersion, fuel–air mixing and flame stabilization are identified from the simulation data. It is shown that the vortex breakdown bubble (VBB) is smaller with more intense reverse flow when there is heat release. The swirling shear layer plays a major role in spray dispersion and the VBB provides an efficient flameholding mechanism to stabilize the flame.     

Large eddy simulations of turbulent flames using the filtered density function model

Large eddy simulations (LES) of the Sandia/Sydney swirl burners (SM1 and SMA1) and the Sandia/Darmstadt piloted jet diffusion flame (Flame D) are performed. These flames are part of the database of turbulent reacting flows widely considered as benchmark test cases for validating turbulent-combustion models. In the simulations presented in this paper, the subgrid scale (SGS) closure model adopted for turbulence-chemistry interactions is based on the transport filtered density function (FDF) model. In the FDF model, the transport equation for the joint probability density function (PDF) of scalars is solved. The main advantage of this model is that the filtered reaction rates can be exactly computed. However, the density field, computed directly from the FDF solver and needed in the hydrodynamic equations, is noisy and causes numerical instability. Two numerical approaches that yield a smooth density field are examined. The two methods are based on transport equations for specific sensible enthalpy (h_s) and RT, where R is the gas constant and T is the temperature. Consistency of the two methods is assessed in a bluff-body configuration using Reynolds averaged Navier-Stokes (RANS) methodology in conjunction with the transported PDF method. It is observed that the h_s method is superior to the RT method. Both methods are used in LES of the SM1 burner. In the near-field region, the h_s method produces better predictions of temperature. However, in the far-field region, both methods show deviation from data. Simulations of the SMA1 burner and Flame D are also presented using the h_s method. Some deficiencies are seen in the predictions of the SMA1 burner that may be related to the simple chemical kinetics model and mixing model used in the simulations. Simulations of Flame D show good agreement with data. These results indicate that, while further improvements to the methodology are needed, the LES/FDF method has the potential to accurately predict complex turbulent flames.     

A priori investigation of subgrid correlation of mixture fraction and progress variable in partially premixed flames

Subgrid correlation of mixture fraction, Z, and progress variable, c, is investigated using direct numerical dimulation (DNS) data of a hydrogen lifted jet flame. Joint subgrid behaviour of these two scalars are obtained using a Gaussian-type filter for a broad range of filter sizes. A joint probability density function (JPDF) constructed using single-snapshot DNS data is compared qualitatively with that computed using two independent β-PDFs and a copula method. Strong negative correlation observed at different streamwise locations in the flame is captured well by the copula method. The subgrid contribution to the Z–c correlation becomes important if the filter is of the size of the laminar flame thickness or larger. A priori assessment for the filtered reaction rate using the flamelet approach with independent β-PDFs and correlated JPDF is then performed. Comparison with the DNS data shows that both models provide reasonably good results for a range of filter sizes. However, the reaction rate computed using copula JPDF is found to have a better agreement with the DNS data for large filter sizes because the subgrid Z–c correlation effect is included.