不可压反应流动直接模拟和亚网格模型的检验

本文用谱方法对三维槽道不可压湍流反应流动进行了直接模拟,用直接模拟数据对大涡模拟亚网格质量流和燃烧模型进行了检验,结果发现,引入壁面阻尼修正的模型与精确值的符合比较好.     

Effects of buoyancy on turbulent premixed V-flames by large-eddy simulation

Buoyancy effects on turbulent premixed V-flames are investigated under normal gravity (+g) and reversed gravity (–g). Numerical simulations employ large eddy simulation (LES) with a dynamic model for sub-grid scale stress. With the assumption of fast chemistry combustion, a progress variable c-equation is applied to describe the flame front propagation. The equations are solved using a projection-based fractional step method in two dimensions for low-Mach number flows. Computed LES results of buoyancy effects on flame angle and flame brush thickness are consistent with those obtained from experiments. In both +g and –g conditions, the effects of buoyancy become important with increase in Richardson number (Ri). Buoyancy force tends to close up the flame under +g, but has the opposite effect under –g. Buoyancy force also suppresses flame wrinkling in +g and enhances wrinkling in –g. While there is a lack of experimental data available, computed axial velocity is shown to be significantly affected by buoyancy downstream from the flame holder under moderate Reynolds number.     

Large-eddy simulation of a bluff-body stabilised turbulent premixed flame using the transported flame surface density approach

A premixed propane–air flame stabilised on a triangular bluff body in a model jet-engine afterburner configuration is investigated using large-eddy simulation (LES). The reaction rate source term for turbulent premixed combustion is closed using the transported flame surface density (TFSD) model. In this approach, there is no need to assume local equilibrium between the generation and destruction of subgrid FSD, as commonly done in simple algebraic closure models. Instead, the key processes that create and destroy FSD are accounted for explicitly. This allows the model to capture large-scale unsteady flame propagation in the presence of combustion instabilities, or in situations where the flame encounters progressive wrinkling with time. In this study, comprehensive validation of the numerical method is carried out. For the non-reacting flow, good agreement for both the time-averaged and root-mean-square velocity fields are obtained, and the Karman type vortex shedding behaviour seen in the experiment is well represented. For the reacting flow, two mesh configurations are used to investigate the sensitivity of the LES results to the numerical resolution. Profiles for the velocity and temperature fields exhibit good agreement with the experimental data for both the coarse and dense mesh. This demonstrates the capability of LES coupled with the TFSD approach in representing the highly unsteady premixed combustion observed in this configuration. The instantaneous flow pattern and turbulent flame behaviour are discussed, and the differences between the non-reacting and reacting flow are described through visualisation of vortical structures and their interaction with the flame. Lastly, the generation and destruction of FSD are evaluated by examining the individual terms in the FSD transport equation. Localised regions where straining, curvature and propagation are each dominant are observed, highlighting the importance of non-equilibrium effects of FSD generation and destruction in the model afterburner.     

A posteriori testing of algebraic flame surface density models for LES

In the application of Large Eddy Simulation (LES) to premixed combustion, the unknown filtered chemical source term can be modelled by the generalised flame surface density (FSD) using algebraic models for the wrinkling factor Ξ. The present study compares the behaviour of the various models by first examining the effect of sub-grid turbulent velocity fluctuation on Ξ through a one-dimensional analysis and by the LES of the ORACLES burner (Nguyen, Bruel, and Reichstadt, Flow, Turbulence and Combustion Vol. 82 [2009], pp. 155–183) and the Volvo Rig (Sjunnesson, Nelsson, and Max, Laser Anemometry, Vol. 3 [1991], pp. 83–90; Sjunnesson, Henrikson, and Löfström, AIAA Journal, Vol. 28 [1992], pp. AIAA–92–3650). Several sensitivity studies on parameters such as the turbulent viscosity and the grid resolution are also carried out. A statistically 1-D analysis of turbulent flame propagation reveals that counter gradient transport of the progress variable needs to be accounted for to obtain a realistic flame thickness from the simulations using algebraic FSD based closure. The two burner setups are found to operate mainly within the wrinkling/corrugated flamelet regime based on the premixed combustion diagram for LES (Pitsch and Duchamp de Lageneste, Proceedings of the Combustion Institute, Vol. 29 [2002], pp. 2001–2008) and this suggests that the models are operating within their ideal range. The performance of the algebraic models are then assessed by comparing velocity statistics, followed by a detailed error analysis for the ORACLES burner. Four of the tested models were found to perform reasonably well against experiments, and one of these four further excels in being the most grid-independent. For the Volvo Rig, more focus is placed upon the comparison of temperature data and identifying changes in flame structure amongst the different models. It is found that the few models which largely over-predict velocities in the ORACLES case and volume averaged in a previous a priori DNS analysis (Chakraborty and Klein, Physics of Fluids, Vol. 20 [2008], p. 085108), deliver satisfactory agreement with experimental observations in the Volvo Rig, whereas a few of the other models are only able to capture the experimental data of the Volvo Rig either quantitatively or qualitatively.     

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.     

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.     

Simple model of inhibition of chain-branching combustion processes

A simple kinetic model has been suggested to describe the inhibition and extinction of flame propagation in reaction systems with chain-branching reactions typical for hydrocarbon systems. The model is based on the generalised model of the combustion process with chain-branching reaction combined with the one-stage reaction describing the thermal mode of flame propagation with the addition of inhibition reaction steps. Inhibitor addition suppresses the radical overshoot in flame and leads to the change of reaction mode from the chain-branching reaction to a thermal mode of flame propagation. With the increase of inhibitor the transition of chain-branching mode of reaction to the reaction with straight-chains (non-branching chain reaction) is observed. The inhibition part of the model includes a block of three reactions to describe the influence of the inhibitor. The heat losses are incorporated into the model via Newton cooling. The flame extinction is the result of the decreased heat release of inhibited reaction processes and the suppression of radical overshoot with the further decrease of the reaction rate due to the temperature decrease and mixture dilution. A comparison of the results of modelling laminar premixed methane/air flames inhibited by potassium bicarbonate (gas phase model, detailed kinetic model) with the results obtained using the suggested simple model is presented. The calculations with the detailed kinetic model demonstrate the following modes of combustion process: (1) flame propagation with chain-branching reaction (with radical overshoot, inhibitor addition decreases the radical overshoot down to the equilibrium level); (2) saturation of chemical influence of inhibitor, and (3) transition to thermal mode of flame propagation (non-branching chain mode of reaction). The suggested simple kinetic model qualitatively reproduces the modes of flame propagation with the addition of the inhibitor observed using detailed kinetic models.     

A dynamic finite volume scheme for large-eddy simulation on unstructured grids

In recent years there has been considerable progress in the application of large-eddy simulation (LES) to increasingly complex flow configurations. Nevertheless a lot of fundamental problems still need to be solved in order to apply LES in a reliable way to real engineering problems, where typically finite-volume codes on unstructured meshes are used. A self-adaptive discretisation scheme, in the context of an unstructured finite-volume flow solver, is investigated in the case of isotropic turbulence at infinite Reynolds number. The Smagorinsky and dynamic Smagorinsky sub-grid scale models are considered. A discrete interpolation filter is used for the dynamic model. It is one of the first applications of a filter based on the approach presented by Marsden et al. In this work, an original procedure to impose the filter shape through a specific selection process of the basic filters is also proposed. Satisfactory results are obtained using the self-adaptive scheme for implicit LES. When the scheme is coupled with the sub-grid scale models, the numerical dissipation is shown to be dominant over the sub-grid scale component. Nevertheless the effect of the sub-grid scale models appears to be important and beneficial, improving in particular the energy spectra. A test on fully developed channel flow at Re_τ = 395 is also performed, comparing the non-limited scheme with the self-adaptive scheme for implicit LES. Once again the introduction of the limiter proves to be beneficial.     

Combustion waves in composite solid material of shell–core type

In this article, an asymptotic and numerical analysis of combustion wave propagation in shell–core composite solid energetic material is undertaken based on the diffusional–thermal model with an overall Arrhenius reaction step. Flame speed and structure are found for a broad range of parameter values. Two different regimes of flame propagation are identified. In the weak recuperation regime, the temperatures of the shell and core are monotonic functions of the coordinates, and they differ only slightly in the reaction zone of the flame. In the strong recuperation regime, the temperature of the shell is significantly higher than that of the core and has a sharp peak in the reaction zone with the maximum value exceeding the adiabatic flame temperature for pure energetic material. It is found that the highest level of flame acceleration in the composite material can be attained in the strong recuperation regime. The competition of these flame propagation regimes may lead to the coexistence of multiple combustion waves travelling with different velocities. The stability is investigated of combustion waves in the practically important strong recuperation regime.     

Combustion mechanism of ultralean rotating counterflow twin premixed flame

In our previous numerical studies [Nishioka Makihito, Zhenyu Shen, and Akane Uemichi. “Ultra-lean combustion through the backflow of burned gas in rotating counterflow twin premixed flames.” Combustion and Flame 158.11 (2011): 2188–2198. Uemichi Akane, and Makihito Nishioka. “Numerical study on ultra-lean rotating counterflow twin premixed flame of hydrogen–air.” Proceedings of the Combustion Institute 34.1 (2013): 1135–1142]. we found that methane– and hydrogen–air rotating counterflow twin flames (RCTF) can achieve ultralean combustion when backward flow of burned gas occurs due to the centrifugal force created by rotation. In this study, we investigated the mechanisms of ultralean combustion in these flames by the detailed numerical analyses of the convective and diffusive transport of the main species. We found that, under ultralean conditions, the diffusive transport of fuel exceeds its backward convective transport in the flame zone, which is located on the burned-gas side of the stagnation point. In contrast, the relative magnitudes of diffusive and convective transport for oxygen are reversed compared to those for the fuel. The resulting flows for fuel and oxygen lead to what we call a ‘net flux imbalance’. This net flux imbalance increases the flame temperature and concentrations of active radicals. For hydrogen–air RCTF, a very large diffusivity of hydrogen enhances the net flux imbalance, significantly increasing the flame temperature. This behaviour is intrinsic to a very lean premixed flame in which the reaction zone is located in the backflow of its own burned gas.     

A Detailed Kinetic Mechanism of Multistage Oxidation and Combustion of Octanes

This study has been focused on the construction of a generalized detailed kinetic mechanism of oxidation and combustion of isoheptane and isooctanes (2-methylhexane, 2-methylheptane, 2,2-dimethylhexane, and 2,2,4-trimethylpentane) to describe both high-temperature reactions and the low-temperature multistage process with separated stages of “cool,” “blue,” and “hot” flames. In accordance with the proposed mechanism, a numerical simulation of autoignition and flame propagation in homogeneous fuel–air mixtures and liquid droplet combustion has been conducted; the calculation results have been compared with the experimental data. Satisfactory qualitative and quantitative agreement of the calculation and experimental results has been obtained.     

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.     

Visualisation of results from LES of combustion

We examine the role of visualisation in the context of LES simulations of premixed turbulent combustion. The physical processes involved in premixed turbulent combustion are extremely complex, and the modelling of both the turbulence (via LES) and the combustion (via flame-wrinkling models) is difficult. Appropriate visualisation is required to understand the behaviour of the models, and ultimately to understand better the flow processes which are important in many industrial applications. We examine visualisations of two specific cases; simple flame kernel growth in a box of turbulence, and combustion behind a backward-facing step. A number of visualisation techniques are used to produce results that are similar to experimentally determined Schlieren and Mie photography for the flame kernel. In addition, isosurfaces of the reaction regress variable coloured by the laminar flame speed and sub-grid wrinkling are also plotted in an attempt to gain deeper insight into the physics of turbulent combustion in the context of these particular cases. Finally we discuss the role of the WWW in the continuing development of scientific visualisation techniques.     

A posteriori testing of the flame surface density transport equation for LES

Flame Surface Density (FSD) models for Large Eddy Simulation (LES) are implemented and tested for a canonical configuration and a practical bluff body stabilised burner, comparing common algebraic closures with a transport equation closure in the context of turbulent premixed combustion. The transported method is expected to yield advantages over algebraic closures, as the equilibrium of subgrid production and destruction of FSD is no longer enforced and resolved processes of strain, propagation and curvature are explicitly accounted for. These advantages might have the potential to improve the ability to capture large-scale unsteady flame propagation in situations with combustion instabilities or situations where the flame encounters progressive wrinkling with time. The initial study of a propagating turbulent flame in wind-tunnel turbulence shows that the Algebraic Flame Surface Density (FSDA) method can predict an excessively wrinkled flame under fine grid conditions, potentially increasing the consumption rate of reactants to artificially higher levels. In contrast, the Flame Surface Density Transport (FSDT) closure predicts a smooth flame front and avoids the formation of artificial flame cusps when the grid is refined. Five FSDA models and the FSDT approach are then applied to the LES of the Volvo Rig. The predicted mean velocities are found to be relatively insensitive to the use of the FSDT and FSDA approaches, whereas temperature predictions exhibit appreciable differences for different formulations. The FSDT approach yields very similar temperature predictions to two of the tested FSDA models, quantitatively capturing the mean temperature. Grid refinement is found to improve the FSDT predictions of the mean flame spread. Overall, the paper demonstrates that the apparently complicated FSD transport equation approach can be implemented and applied to realistic, strongly wrinkled flames with good success, and opens up the field for further work to improve the models and the overall FSDT approach.     

An assessment of large eddy simulations of premixed flames propagating past repeated obstacles

This paper presents an assessment of Large Eddy Simulations (LES) in calculating the structure of turbulent premixed flames propagating past solid obstacles. One objective of the present study is to evaluate the LES simulations and identify the drawbacks in accounting the chemical reaction rate. Another objective is to analyse the flame structure and to calculate flame speed, generated overpressure at different time intervals following ignition of a stoichiometric propane/air mixture. The combustion chamber has built-in repeated solid obstructions to enhance the turbulence level and hence increase the flame propagating speed. Various numerical tests have also been carried out to determine the regimes of combustion at different stages of the flame propagation. These have been identified from the calculated results for the flow and flame characteristic parameters. It is found that the flame lies within the ‘thin reaction zone’ regime which supports the use of the laminar flamelet approach for modelling turbulent premixed flames. A submodel to calculate the model coefficient in the algebraic flame surface density model is implemented and examined. It is found that the LES predictions are slightly improved owing to the calculation of model coefficient by using submodel. Results are presented and discussed in this paper are for the flame structure, position, speed, generated pressure and the regimes of combustion during all stages of flame propagation from ignition to venting. The calculated results are validated against available experimental data.     

Triple flame: Inherent asymmetries and pentasectional character

A two-dimensional triple-flame numerical model of a laminar combustion process reflects flame asymmetric structural features that other analytical models do not generate. It reveals the pentasectional character of the triple flame, composed of the central pure diffusion-flame branch and the fuel-rich and fuel-lean branches, each of which is divided into two sections: a near-stoichiometric section and a previously unreported near-flammability-limits section with combined diffusion and premixed character. Results include propagation velocity, fuel and oxidiser mass fractions, temperature and reaction rates. Realistic stoichiometric ratios and reaction orders match experimental planar flame characteristics. Constant density, a one-step reaction, and a mixture fraction gradient at the inlet as the simulation parameter are imposed. The upstream equivalence ratio or the upstream reactant mass fractions are linear or hyperbolic functions of the transverse coordinate. The use here of experimental kinetics data differs from previous analytical works and results in flame asymmetry and different flammability limits. Upstream mixture composition gradient affects propagation velocity, flame curvature, diffusion flame reaction rate, and flammability limits. Flammability limits extend beyond those of a planar flame due to transverse heat and mass diffusion causing the pentasectional character.     

Modelling of the subgrid scale wrinkling factor for large eddy simulation of turbulent premixed combustion

We propose a model for assessing the unresolved wrinkling factor in the large eddy simulation of turbulent premixed combustion. It relies essentially on a power-law dependence of the wrinkling factor on the filter size and an original expression for the ‘active’ corrugating strain rate. The latter is written as the turbulent strain multiplied by an efficiency function that accounts for viscous effects and the kinematic constraint of Peters. This yields functional expressions for the fractal dimension and the inner cut-off length scale, the latter being (i) filter-size independent and (ii) consistent with the Damköhler asymptotic behaviours at both large and small Karlovitz numbers. A new expression for the wrinkling factor that incorporates finite Reynolds number effects is further proposed. Finally, the model is successfully assessed on an experimental filtered database.     

Subgrid modeling of intrinsic instabilities in premixed flame propagation

This work is devoted to the investigation and subgrid-scale modeling of intrinsic flame instabilities occurring in the propagation of a deflagration wave. Such instabilities, of hydrodynamic and thermodiffusive origin, are expected to be of particular relevance in recent technological trends such as in the use of hydrogen as a clean energy carrier or as a secondary fuel in hydrogen enriched combustion. A dedicated set of direct numerical simulations is presented and used, in conjunction with coherent literature results, in order to develop scaling arguments for the propagation speed of self-wrinkled flames which are also supported by the outcomes of a weakly non-linear model, namely the Sivashinsky equation. The observed scaling is based on the definition of the number of unstable wavelengths in a reference hydrodynamic lengthscale, in other words the ratio between the neutral or cutoff lengthscale of intrinsic instabilities and the lateral domain of a planar flame. The scalings are then employed to develop an algebraic model for the wrinkling factor in the context of a flame surface density closure approach. An a-priori analysis shows that the model correctly captures the flame wrinkling caused by intrinsic instability at sub grid level. A strategy to include the developed self-wrinkling model in the context of a turbulent combustion model is finally discussed on the basis of the turbulence induced cut-off concept.     

Three stage cool flame droplet burning behavior of n-alkane droplets at elevated pressure conditions: Hot,warm and cool flame

Transient, isolated n-alkane droplet combustion is simulated at elevated pressure for helium-diluent substituted-air mixtures. We report the presence of unique quasi-steady, three-stage burning behavior of large sphero-symmetric n-alkane droplets at these elevated pressures and helium substituted ambient fractions. Upon initiation of reaction, hot-flame diffusive burning of large droplets is initiated that radiatively extinguishes to establish cool flame burning conditions in nitrogen/oxygen “air” at atmospheric and elevated pressures. However, at elevated pressure and moderate helium substitution for nitrogen (X_He?>?20%), the initiated cool flame burning proceeds through two distinct, quasi-steady-state, cool flame burning conditions. The classical “Hot flame” (～1500?K) radiatively extinguishes into a “Warm flame” burning mode at a moderate maximum reaction zone temperature (～ 970?K), followed by a transition to a lower temperature (～765?K), quasi-steady “Cool flame” burning condition. The reaction zone (“flame”) temperatures are associated with distinctly different yields in intermediate reaction products within the reaction zones and surrounding near-field, and the flame-standoff ratios characterizing each burning mode progressively decrease. The presence of all three stages first appears with helium substitution near 20%, and the duration of each stage is observed to be strongly dependent on helium substitutions level between 20–60%. For helium substitution greater than 60%, the hot flame extinction is followed by only the lower temperature cool flame burning mode. In addition to the strong coupling between the diffusive loss of both energy and species and the slowly evolving degenerate branching in the low and negative temperature coefficient (NTC) kinetic regimes, the competition between the low-temperature chain branching and intermediate-temperature chain termination reactions control the “Warm” and “Cool” flame quasi-steady conditions and transitioning dynamics. Experiments onboard the International Space Station with n-dodecane droplets confirm the existence of these combustion characteristics and predictions agree favorably with these observations.     

Large eddy simulation of piloted pulverised coal combustion using extended flamelet/progress variable model

An extended flamelet/progress variable (EFPV) model for simulating pulverised coal combustion (PCC) in the context of large eddy simulation (LES) is proposed, in which devolatilisation, char surface reaction and radiation are all taken into account. The pulverised coal particles are tracked in the Lagrangian framework with various sub-models and the sub-grid scale (SGS) effects of turbulent velocity and scalar fluctuations on the coal particles are modelled by the velocity-scalar joint filtered density function (VSJFDF) model. The presented model is then evaluated by LES of an experimental piloted coal jet flame and comparing the numerical results with the experimental data and the results from the eddy break up (EBU) model. Detailed quantitative comparisons are carried out. It is found that the proposed model performs much better than the EBU model on radial velocity and species concentrations predictions. Comparing against the adiabatic counterpart, we find that the predicted temperature is evidently lowered and agrees well with the experimental data if the conditional sampling method is adopted.