Modelling of turbulent lifted jet flames using flamelets: a priori assessment and a posteriori validation

This study focuses on the modelling of turbulent lifted jet flames using flamelets and a presumed Probability Density Function (PDF) approach with interest in both flame lift-off height and flame brush structure. First, flamelet models used to capture contributions from premixed and non-premixed modes of the partially premixed combustion in the lifted jet flame are assessed using a Direct Numerical Simulation (DNS) data for a turbulent lifted hydrogen jet flame. The joint PDFs of mixture fraction Z and progress variable c, including their statistical correlation, are obtained using a copula method, which is also validated using the DNS data. The statistically independent PDFs are found to be generally inadequate to represent the joint PDFs from the DNS data. The effects of Z–c correlation and the contribution from the non-premixed combustion mode on the flame lift-off height are studied systematically by including one effect at a time in the simulations used for a posteriori validation. A simple model including the effects of chemical kinetics and scalar dissipation rate is suggested and used for non-premixed combustion contributions. The results clearly show that both Z–c correlation and non-premixed combustion effects are required in the premixed flamelets approach to get good agreement with the measured flame lift-off heights as a function of jet velocity. The flame brush structure reported in earlier experimental studies is also captured reasonably well for various axial positions. It seems that flame stabilisation is influenced by both premixed and non-premixed combustion modes, and their mutual influences.     

Turbulence/flame/wall interactions in non-premixed inclined slot-jet flames impinging at a wall using direct numerical simulation

In the present work, three-dimensional turbulent non-premixed oblique slot-jet flames impinging at a wall were investigated using direct numerical simulation (DNS). Two cases are considered with the Damköhler number (Da) of case A being twice that of case B. A 17 species and 73-step mechanism for methane combustion was employed in the simulations. It was found that flame extinction in case B is more prominent compared to case A. Reignition in the lower branch of combustion for case A occurs when the scalar dissipation rate relaxes, while no reignition occurs in the lower branch for case B due to excessive scalar dissipation rate. A method was proposed to identify the flame quenching edges of turbulent non-premixed flames in wall-bounded flows based on the intersections of mixture fraction and OH mass fraction iso-surfaces. The flame/wall interactions were examined in terms of the quenching distance and the wall heat flux along the quenching edges. There is essentially no flame/wall interaction in case B due to the extinction caused by excessive turbulent mixing. In contrast, significant interactions between flames and the wall are observed in case A. The quenching distance is found to be negatively correlated with wall heat flux as previously reported in turbulent premixed flames. The influence of chemical reactions and wall on flow topologies was identified. The FS/U and FC/U topologies are found near flame edges, and the NNN/U topology appears when reignition occurs. The vortex-dominant topologies, FC/U and FS/S, play an increasingly important role as the jet turbulence develops.     

An experimental study of partially premixed flame sound

The occurrence of oscillating combustion and combustion instability has led to resurgence of interest in the causes, mechanisms, suppression, and control of combustion noise. Noise generated by enclosed flames is of greater practical interest but is more complicated than that by open flames, which itself is not clearly understood. Studies have shown that different modes of combustion, premixed and non-premixed, differ in their sound generation characteristics. However, there is lack of understanding of the region bridging these two combustion modes. This study investigates sound generation by partially premixed flames. Starting from a non-premixed flame, air was gradually added to achieve partial premixing while maintaining the fuel flow rate constant. Methane, ethylene, and ethane partially premixed flames were studied with hydrogen added for flame stabilization. The sound pressure generated by methane partially premixed flames scales with M⁵ compared to M³ for turbulent non-premixed methane flames. Also, the sound pressure generated by partially premixed flames of ethane and ethylene scales as M^4.5. With progressive partial premixing, spectra level increases at all frequencies with a greater increase in the high-frequency region compared to the low-frequency region; flames develop a peak and later a constant level plateau in the low frequency region. The partially premixed flames of methane, ethylene, and ethane generate a similar SPL as a function of equivalence ratio when the fuel volume flow rate is matched. However, when fuel mass flow rate is matched, the ethane and ethylene flames produce a similar SPL, which is lower than that produced by the methane flame.     

湍流分层燃烧的直接数值模拟和小火焰模型研究

湍流分层燃烧广泛应用于工业燃烧装置,但是目前还比较缺乏适用于湍流分层燃烧的高精度数值模型。本文利用直接数值模拟数据库,对高Karlovitz数分层射流火焰的小火焰模型表现进行了先验性评估。考虑了两种小火焰模型,一种是基于自由传播层流预混火焰的小火焰模型M1,另一种是基于分层对冲小火焰的小火焰模型M2。研究发现M1和M2在c-Z空间的结果与直接数值模拟在定性上是一致的。在物理空间,M2对过程变量反应速率脉动值的预测结果要优于M1.     

Capturing multi-regime combustion in turbulent flames with a virtual chemistry approach

Multiple flame regimes are encountered in industrial combustion chambers, where premixed, stratified and non-premixed flame regions may coexist. To obtain a predictive tool for pollutant formation predictions, chemical flame modeling must take into account the influence of such complex flame structure. The objective of this article is to apply and compare two reduced chemistry models on both laminar and turbulent multi-regime flame configurations in order to analyze their capabilities in predicting flame structure and CO formation. The challenged approaches are (i) a premixed flamelet-based tabulated chemistry method, whose thermochemical variables are parameterized by a mixture fraction and a progress variable, and (ii) a virtual chemical scheme which has been optimized to retrieve the properties of canonical premixed and non-premixed 1-D laminar flames. The methods are first applied to compute a series of laminar partially-premixed methane-air counterflow flames. Results are compared to detailed chemistry simulations. Both approaches reproduced the thermal flame structure but only the virtual chemistry captures the CO formation in all ranges of equivalence ratio from stoichiometry premixed flame to pure non-premixed flame. Finally, the two chemical models combined with the Thickened Flame model for LES are challenged on a piloted turbulent jet flame with inhomogeneous inlet, the Sydney inhomogeneous burner. Mean and RMS of temperature and CO mass fraction radial profiles are compared to available experimental data. Scatter data in mixture fraction space and Wasserstein metric of numerical and experimental data are also studied. The analyses confirm again that the virtual chemistry approach is able to account for the impact of multi-regime turbulent combustion on the CO formation.     

A conservative,thermodynamically consistent numerical approach for low Mach number combustion. Part I: Single-level integration

We present a numerical approach for low Mach number combustion that conserves both mass and energy while remaining on the equation of state to a desired tolerance. We present both unconfined and confined cases, where in the latter the ambient pressure changes over time. Our overall scheme is a projection method for the velocity coupled to a multi-implicit spectral deferred corrections (SDC) approach to integrate the mass and energy equations. The iterative nature of SDC methods allows us to incorporate a series of pressure discrepancy corrections naturally that lead to additional mass and energy influx/outflux in each finite volume cell in order to satisfy the equation of state. The method is second order, and satisfies the equation of state to a desired tolerance with increasing iterations. Motivated by experimental results, we test our algorithm on hydrogen flames with detailed kinetics. We examine the morphology of thermodiffusively unstable cylindrical premixed flames in high-pressure environments for confined and unconfined cases. We also demonstrate that our algorithm maintains the equation of state for premixed methane flames and non-premixed dimethyl ether jet flames.     

Flame dynamics

This lecture describes recent theoretical developments associated with the dynamics of flames, obtained primarily by exploiting the various temporal and length scales involved in the combustion process. In premixed flames the focus is on flame-flow interactions that occur during the nonlinear development of hydrodynamically unstable large-scale flames, or during the propagation of curved flames in two-dimensional channels. The second part of the paper deals with non-premixed and partially premixed flames, where the focus is on understanding the nature of diffusive-thermal instabilities including the effect of thermal expansion, and on stabilization mechanisms of edge flames, which possess characteristics of both premixed and diffusion flames. The results presented in this talk illustrate how simplified models, when analyzed to their extreme, yield predictions of qualitative nature with physical insight that have advanced our understanding of combustion. This insight can be used to guide the experimental efforts, explain observations and validate large-scale numerical simulations.     

Nonlinear simulations of combustion instabilities with a quasi-1D Navier-Stokes code

As lean premixed combustion systems are more susceptible to combustion instabilities than non-premixed systems, there is an increasing demand for improved numerical design tools that can predict the occurrence of combustion instabilities with high accuracy. The inherent nonlinearities in combustion instabilities can be of crucial importance, and we here propose an approach in which the one-dimensional (1D) Navier-Stokes and scalar transport equations are solved for geometries of variable cross-section. The focus is on attached flames, and for this purpose a new phenomenological model for the unsteady heat release from a flame front is introduced. In the attached flame method (AFM) the heat release occurs over the full length of the flame. The nonlinear code with the use of the AFM approach is validated against analytical results and against an experimental study of thermoacoustic instabilities in oxy-fuel flames by Ditaranto and Hals [Combustion and Flame 146 (2006) 493-512]. The numerical simulations are in accordance with the experimental measurements and the analytical results and both the frequencies and the amplitudes of the resonant acoustic pressure modes are reproduced with good accuracy.     

A new modeling approach for mixture fraction statistics based on dissipation elements

The probabilty density function (PDF) of the mixture fraction is of integral importance to a large number of combustion models. Here, a novel modelling approach for the PDF of the mixture fraction is proposed which employs dissipation elements. While being restricted to the commonly used mean and variance of the mixture fraction, this model approach individually considers contributions of the laminar regions as well as the turbulent core and the turbulent/non-turbulent interface region. The later region poses a highly intermittent part of the flow which is of high relevance to the non-premixed combustion of pure hydrocarbon fuels. The model assumptions are justified by means of the gradient trajectory based analysis of high fidelity direct numerical simulation (DNS) datasets of two turbulent inert configurations and a turbulent non-premixed jet flame. The new dissipation element based model is validated against the DNS datasets and a comparison with the beta PDF is presented.     

A review of chemical diffusion: Criticism and limits of simplified methods for diffusion coefficient calculation

A review of the physics and modelling of mass diffusion involving different gaseous chemical species is firstly proposed. Both accurate and simplified models for mass diffusion involve the calculation of individual species diffusion coefficients. Since these are computationally expensive, in CFD they are commonly estimated by assuming constant Lewis or Schmidt numbers for each chemical species. The constant Lewis number assumption is particularly used. As a matter of fact, these assumptions have never been theoretically justified nor verified in practical flames. The only published information are the first observations by Smooke and Giovangigli about the Lewis number against temperature distributions in methane–air premixed and counterflow diffusion one-dimensional flames. The aim of this work is to verify these assumptions. Functional dependences of molecular properties appearing in these numbers are made explicit to show that while Sc _i depends only on composition, Le _i depends also on temperature and therefore it certainly cannot be assumed constant in a flame. Then, accurately calculating molecular properties, distributions of these characteristic numbers against temperature are obtained a posteriori from numerical simulations of different flames, premixed and non-premixed, and burning different fuels. For non-premixed flames, individual species Lewis number distributions are broad for most of the species considered in this article, whilst they are tight for premixed flames. Some attention is focused on the particular shape of Lewis distributions in non-premixed flames: they are characterized by four or five (when extinction is experienced) branches associated to precise regions in the flame (basically, lean, rich and stoichiometric combusting zones). Instead, the Schmidt distributions are always tighter, also when extinctions take place: for many species they can be approximatively assumed constant. Finally, a simplified procedure to estimate individual species diffusion coefficients is suggested, assuming the median of non-premixed flame Schmidt distributions has a constant value for each chemical species.     

Modeling curvature effects in turbulent autoigniting non-premixed flames using tabulated chemistry

Turbulent flames are intrinsically curved. In the presence of preferential diffusion, curvature effects either enhance or suppress molecular diffusion, depending on the diffusivity of the species and the direction of the flame curvature. When a tabulated chemistry type of modeling is employed, curvature-preferential diffusion interactions have to be taken into consideration in the construction of manifolds. In this study, we employ multistage stage flamelet generated manifolds (MuSt-FGM) method to model autoigniting non-premixed turbulent flames with preferential diffusion effects included. The conditions for the modeled flame are in MILD combustion regime. To model the above-mentioned curvature-preferential diffusion interactions, a new mixture fraction which has a non-unity Lewis number is defined and used as a new control variable in the manifold generation. 1D curved flames are simulated to create the necessary flamelets. The resulting MuSt-FGM tables are used in the simulation of 1D laminar flames, and then also applied to turbulent flames using 2D direct numerical simulations (DNS). It was observed that when the curvature effects are included in the manifold, the MuSt-FGM results agree well with the detailed chemistry results; whereas the results become unsatisfactory when the curvature effects are ignored.     

Simulations of laminar non-premixed flames of kerosene with hot combustion products as oxidiser

The effects of hot combustion product dilution in a pressurised kerosene-burning system at gas turbine conditions were investigated with laminar counterflow flame simulations. Hot combustion products from a lean (φ = 0.6) premixed flame were used as an oxidiser with kerosene surrogate as fuel in a non-premixed counterflow flame at 5, 7, 9 and 11 bar. Kerosene-hot product flames, referred to as ‘MILD’, exhibit a flame structure similar to that of kerosene–air flames, referred to as ‘conventional’, at low strain rates. The Heat Release Rate (HRR) of both conventional and MILD flames reflects the pyrolysis of the primary and intermediate fuels on the rich side of the reaction zone. Positive HRR and OH regions in mixture fraction space are of similar width to conventional kerosene flames, suggesting that MILD flames are thin fronts. MILD flames do not exhibit typical extinction behaviour, but gradually transition to a mixing solution at very high rates of strain (above A = 160, 000 s^?1 for all pressures). This is in agreement with literature that suggests heavily preheated and diluted flames have a monotonic S-shaped curve. Despite these differences in comparison with kerosene–air flames, MILD flames follow typical trends as a function of both strain and pressure. Further still, the peak locations of the overlap of OH and CH₂O mass fractions in comparison with the peak HRR indicate that the pixel-by-pixel product of OH- and CH₂O-PLIF signals is a valid experimental marker for non-premixed kerosene MILD and conventional flames.     

Large eddy simulation of multi-regime combustion with a two-progress variable approach for carbon monoxide

Simulations of two cases in a novel multi-regime burner configuration are undertaken using a presumed joint probability density function (PDF) approach with tabulated chemistry. The flame conditions are varied by changing the central jet equivalence ratio, which produces different multi-regime combustion modes in the non-premixed inner flame. An outer premixed flame and recirculation zone behind a bluff body are present to supply heat and combustion products to stabilise the inner flame. A two-progress variable approach is tested to improve predictions of carbon monoxide (CO) in the post-flame regions, where CO oxidation occurs. The large eddy simulation set-up and sub-grid combustion model are assessed through comparisons with time-averaged measurements for radial profiles at different streamwise locations. The jet break-up length, the shear layers and the mixture fraction distribution are well captured in both cases. The temperature distribution is well captured for the inner flame in each case but the temperature and mixture fraction are over predicted in the downstream regions of the outer premixed flame, which is due to increased dilatation that suppresses air entrainment. Improved predictions of the CO mass fraction are obtained for the outer premixed flames with the two-progress variable approach. Over predictions are seen in the upstream regions of the inner flame when the CO mass fraction is obtained from a look-up table, suggesting that the CO mass fraction should be transported to include the convection/diffusion balance in regions where there is no flame. Furthermore, transporting the CO mass fraction with a one-progress variable approach produces over predictions in the burnt regions, suggesting a two-progress variable model is needed to capture the consumption region of CO. The multi-regime combustion characteristics are observed to be stronger in flame MRB26b, where non-premixed and rich premixed combustion is present. For flame MRB18b, the non-premixed contribution is smaller and weak stratified combustion is observed.     

Response of non-premixed flames to bulk flow perturbations

This paper describes the dynamics of non-premixed flames responding to bulk velocity fluctuations, and compares the dynamics of the flame sheet position and spatially integrated heat release to that of a premixed flame. The space–time dynamics of the non-premixed flame sheet in the fast chemistry limit is described by the stoichiometric mixture fraction surface, extracted from the solution of the

-equation. This procedure has some analogies to premixed flames, where the premixed flame sheet location is extracted from the G = 0 surface of the solution of the G-equation. A key difference between the premixed and non-premixed flame dynamics, however, is the fact that the non-premixed flame sheet dynamics are a function of the disturbance field everywhere, and not just at the reaction sheet, as in the premixed flame problem. A second key difference is that the non-premixed flame does not propagate and so flame wrinkles are convected downstream at the axial flow velocity, while wrinkles in premixed flames convect downstream at a vector sum of the flame speed and axial velocity. With the exception of the flame wrinkle propagation speed, however, we show that that the solutions for the space–time dynamics of the premixed and non-premixed reaction sheets in high velocity axial flows are quite similar. In contrast, there are important differences in their spatially integrated unsteady heat release dynamics. Premixed flame heat release fluctuations are dominated by area fluctuations, while non-premixed flames are dominated by mass burning rate fluctuations. At low Strouhal numbers, the resultant sensitivity of both flames to flow disturbances is the same, but the non-premixed flame response rolls off slower with frequency. Hence, this analysis suggests that non-premixed flames are more sensitive to flow perturbations than premixed flames at O(1) Strouhal numbers.     

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.     

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.     

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.     

Improved MMC-LES to compute the structure of a mixed-mode turbulent flame series

An improved version of the Lagrangian multiple mapping conditioning model coupled with large eddy simulation (MMC-LES) is applied to compute the structure of a range of turbulent mixed-mode flames stabilised on the Sydney piloted burner with compositionally inhomogeneous inlet. The calculations are compared with detailed measurements. While premixed MMC-LES models are yet to be developed, the most commonly deployed version and code for MMC-LES uses a mixture-fraction-based approach and a sparse-Lagrangian notional particle method that is most suitable for non-premixed combustion. The improvements reported here are due to (i) a more rigorous density coupling approach, (ii) a more refined mixing time scale, and (iii) selective particle intensification to improve localness in physical space as well as mixture fraction space. This intensification is selectively applied in upstream regions where mixed-mode combustion dominates and is relaxed further downstream as the jet flames transition to a non-premixed flame structure. The computed results show good agreement with experimental data hence confirming the feasibility of the improved MMC-LES approach in being able to account for mixed-mode combustion as well as for finite-rate chemistry effects. These promising results warrant future extension of the selective particle intensification method to become automatically adaptive.     

SGS Reaction rate modelling for MILD combustion based on machine-learning combustion mode classification: Development and a priori study

A neural network (NN) aided model is proposed for the filtered reaction rate in moderate or intense low-oxygen dilution (MILD) combustion. The framework of the present model is based on the partially stirred reactor (PaSR) approach, and the fraction of the reactive structure appearing in the PaSR is predicted using different NN’s, to consider both premixed and non-premixed conditions while allowing the use of imbalanced training data between premixed and non-premixed combustion direct numerical simulation (DNS) data. The key ingredient in the present model is the use of local combustion mode prediction performed by using another NN, which is developed in a previous study. The trained model was then assessed by using two unknown combustion DNS cases, which yields much higher dilution level (more intense MILD condition) and higher Karlovitz number than the DNS cases used as training data. The model performance assessment has been carried out by means of the Pearson’s correlation coefficient and mean squared error. For both the present model and zeroth-order approximated reaction rate, the correlation coefficient with the target values shows relatively high values, suggesting that the trend of predicted field, by the present model and zeroth-order approximation, is well correlated with the actual reaction rate field. This suggests that the use of PaSR equation is promising if the fraction of the reactive structure is appropriately predicted, which is the objective in the present study. On the other hand, substantially lower mean squared error is observed for a range of filter sizes for the present model than that for the zeroth-order approximation. This suggests that the present filtered reaction rate model can account for the SGS contribution reasonably well.     

Paradigms in turbulent combustion research

The development of the basic conceptual viewpoints, or paradigms, for turbulent combustion in gases over the last 50 years is reviewed. Significant progress has been made. Recent successes in the prediction of pollutant species and extinction/re-ignition phenomena in non-premixed flames are seen as the result of close interaction between experimentalists, theoreticians, and modellers. Premixed turbulent flames seem to be dependent on a much wider range of factors, and predictive capabilities are not so advanced. Implications for large eddy simulation (LES) and partially premixed combustion are outlined.