Conditional moment closure and transient flamelet modelling for detailed structure and NO x formation characteristics of turbulent nonpremixed jet and recirculating flames

This study has been mainly motivated to assess computationally and theoretically the conditional moment closure (CMC) model and the transient flamelet model for the simulation of turbulent nonpremixed flames. These two turbulent combustion models are implemented into the unstructured grid finite volume method that efficiently handles physically and geometrically complex turbulent reacting flows. Moreover, the parallel algorithm has been implemented to improve computational efficiency as well as to reduce the memory load of the CMC procedure. Example cases include two turbulent CO/H₂/N₂ jet flames having different flow timescales and the turbulent nonpremixed H₂/CO flame stabilized on an axisymmetric bluff-body burner. The Lagrangian flamelet model and the simplified CMC formulation are applied to the strongly parabolic jet flame calculation. On the other hand, the Eulerian particle flamelet model and full conservative CMC formulation are employed for the bluff-body flame with flow recirculation. Based on the numerical results, a detailed discussion is given for the comparative performances of the two combustion models in terms of the flame structure and NO _x formation characteristics.     

CMC simulations of lifted turbulent jet flame in a vitiated coflow

Lifted turbulent jet diffusion flame is simulated using Conditional Moment Closure (CMC). Specifically, the burner configuration of Cabra et al. [R. Cabra, T. Myhrvold, J.Y. Chen, R.W. Dibble, A.N. Karpetis, R.S. Barlow, Proc. Combust. Inst. 29 (2002) 1881–1887] is chosen to investigate H₂/N₂ jet flame supported by a vitiated coflow of products of lean H₂/air combustion. A 2D, axisymmetric flow-model fully coupled with the scalar fields, is employed. A detailed chemical kinetic scheme is included, and first order CMC is applied. Simulations are carried out for different jet velocities and coflow temperatures (T_c). The predicted liftoff generally agrees with experimental data, as well as joint-PDF results. Profiles of mean scalar fluxes in the mixture fraction space, for T_c=1025 and 1080 K reveal that (1) Inside the flame zone, the chemical term balances the molecular diffusion term, and hence the structure is of a diffusion flamelet for both cases. (2) In the pre-flame zone, the structure depends on the coflow temperature: for the 1025 K case, the chemical term being small, the advective term balances the axial turbulent diffusion term. However, for the 1080 K case, the chemical term is large and balances the advective term, the axial turbulent diffusion term being small. It is concluded that, lift-off is controlled (a) by turbulent premixed flame propagation for low coflow temperature while (b) by autoignition for high coflow temperature.     

Second-order conditional moment closure modeling of a turbulent CH4/H2/N2 jet diffusion flame

The second-order CMC model for a detailed chemical mechanism is used to model a turbulent CH₄/H₂/N₂ jet diffusion flame. Second-order corrections are made to the three rate limiting steps of methane–air combustion, while first-order closure is employed for all the other steps. Elementary reaction steps have a wide range of timescales with only a few of them slow enough to interact with turbulent mixing. Those steps with relatively large timescales require higher-order correction to represent the effect of fluctuating scalar dissipation rates. Results show improved prediction of conditional mean temperature and mass fractions of OH and NO. Major species are not much influenced by second-order corrections except near the nozzle exit. A parametric study is performed to evaluate the effects of the variance parameter in log-normal scalar dissipation PDF and the constants for the dissipation term in conditional variance and covariance equations.     

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.     

Computations of turbulent lean premixed combustion using conditional moment closure

Conditional Moment Closure (CMC) is a suitable method for predicting scalars such as carbon monoxide with slow chemical time scales in turbulent combustion. Although this method has been successfully applied to non-premixed combustion, its application to lean premixed combustion is rare. In this study the CMC method is used to compute piloted lean premixed combustion in a distributed combustion regime. The conditional scalar dissipation rate of the conditioning scalar, the progress variable, is closed using an algebraic model and turbulence is modelled using the standard k–? model. The conditional mean reaction rate is closed using a first order CMC closure with the GRI-3.0 chemical mechanism to represent the chemical kinetics of methane oxidation. The PDF of the progress variable is obtained using a presumed shape with the Beta function. The computed results are compared with the experimental measurements and earlier computations using the transported PDF approach. The results show reasonable agreement with the experimental measurements and are consistent with the transported PDF computations. When the compounded effects of shear-turbulence and flame are strong, second order closures may be required for the CMC.     

Head-on quenching of laminar premixed methane flames diluted with hot combustion products

Transient head-on quenching of laminar premixed methane flames diluted with hot combustion products is analyzed using full-chemistry 1D DNS. The impact of the dilution level, pressure and wall temperature on carbon monoxide (CO) emissions is investigated. Increasing dilution level and pressure reduce peak average near-wall CO concentrations, and reduce the near-wall CO reduction rate. However, the peak average near-wall CO and near-wall CO reduction rate increase with increasing wall temperature. Analysis of the species transport budget for CO near the wall before, during and after quenching indicates that there are conditions where diffusion is the dominant transport term. As a consequence, it may be possible to model the near-wall CO using only the integrated diffusion term within certain spatial regions. Dilution increases the size of these regions, whereas increasing pressure reduces this size.     

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.     

Analysis of kinetic mechanism performance in conditional moment closure modelling of turbulent,non-premixed methane flames

This paper presents results obtained from the application of a first-order conditional moment closure approach to the modelling of two methane flames of differing geometries. Predictions are based upon a second-moment turbulence and scalar-flux closure, and supplemented with full and reduced chemical kinetic mechanisms, ranging from a simple 12-step to a complex 1207-step mechanism. Alongside analysis of the full kinetic schemes' performance, is an appraisal of the behaviour of their derivatives obtained using mechanism-reduction techniques. The study was undertaken to analyse the practicality of incorporating kinetic models of varying complexity into calculations of turbulent non-premixed flames, and to make comparison of their performance. Despite extensive studies of the predictive ability of such schemes under laminar flame conditions, systematic evaluations have not been performed for turbulent reacting flows. This paper reflects upon the impact that selection of chemical kinetics has upon subsequent calculations and concludes that, although application of reduced schemes is more than adequate to reproduce experimental data, selection of the parent mechanism is of paramount importance to the prediction of minor species. Although widely used schemes are well documented and validated, their performances vary considerably. Thus, careful consideration must be made to their application and origins during the evaluation of combustion models.     

The compositional structure of highly turbulent piloted premixed flames issuing into a hot coflow

Simultaneous line measurements of major species and temperature by the Raman–Rayleigh technique, combined with CO two-photon laser-induced fluorescence and crossed-plane OH planar laser-induced fluorescence have been applied to a series of flames in the Piloted Premixed Jet Burner (PPJB). The PPJB is capable of stabilizing highly turbulent premixed jet flames through the use of a stoichiometric pilot and a large coflow of hot combustion products. Four flames with increasing jet velocities and constant jet equivalence ratios are examined in this paper. The characteristics of these four flames range from stable flame brushes with reaction zones that can be described as thin and “flamelet-like” to flames that have thickened reaction zones and exhibit extinction re-ignition behaviour. Radial profiles of the mean temperature are reported, indicating the mean thermal extent of the pilot and spatial location of the mean flame brush. Measurements of carbon monoxide (CO) and the hydroxyl radical (OH) reveal a gradual decrease in the conditional mean as the jet velocity is increased and the flame approaches extinction. Experimental results for the conditional mean temperature gradient show a progressive trend of reaction zone thickening with increasing jet velocities, indicating the increased interaction of turbulence with the reaction zone at higher turbulence levels. For the compositions examined, the product of CO and OH mole fractions ([CO][OH]) is shown to be a good qualitative indicator for the net rate of production of carbon dioxide. The axial variation of [CO][OH] is shown to correlate well with the mean chemi-luminescence of the flames including the extinction re-ignition regions. The experimental findings reported in this paper further support the hypothesis of an initial ignition region followed by extinction and re-ignition regions for certain PPJB flames.     

Ignition and extinction of low molecular weight esters in nonpremixed flows

An experimental and kinetic modeling study is carried out to characterize combustion of low molecular weight esters in nonpremixed, nonuniform flows. An improved understanding of the combustion characteristics of low molecular weight esters will provide insights on combustion of high molecular weight esters and biodiesel. The fuels tested are methyl butanoate, methyl crotonate, ethyl propionate, biodiesel, and diesel. Two types of configuration – the condensed fuel configuration and the prevaporized fuel configuration – are employed. The condensed fuel configuration is particularly useful for studies on those liquid fuels that have high boiling points, for example biodiesel and diesel, where prevaporization, without thermal breakdown of the fuel, is difficult to achieve. In the condensed fuel configuration, an oxidizer, made up of a mixture of oxygen and nitrogen, flows over the vaporizing surface of a pool of liquid fuel. A stagnation-point boundary layer flow is established over the surface of the liquid pool. The flame is stabilized in the boundary layer. In the prevaporized fuel configuration, the flame is established in the mixing layer formed between two streams. One stream is a mixture of oxygen and nitrogen and the other is a mixture of prevaporized fuel and nitrogen. Critical conditions of extinction and ignition are measured. The results show that the critical conditions of extinction of diesel and biodiesel are nearly the same. Experimental data show that in general flames burning the esters are more difficult to extinguish in comparison to those for biodiesel. At the same value of a characteristic flow time, the ignition temperature for biodiesel is lower than that for diesel. The ignition temperatures for biodiesel are lower than those for the methyl esters tested here. Critical conditions of extinction and ignition for methyl butanoate were calculated using a detailed chemical kinetic mechanism. The results agreed well with the experimental data. The asymptotic structure of a methyl butanoate flame is found to be similar to that for many hydrocarbon flames. This will facilitate analytical modeling, of structures of ester flames, using rate-ratio asymptotic techniques, developed previously for hydrocarbon flames.     

Premixed turbulent combustion modeling using tabulated detailed chemistry and PDF

Tabulated chemistry and presumed probability density function (PDF) approaches are combined to perform RANS modeling of premixed turbulent combustion. The chemistry is tabulated from premixed flamelets with three independent parameters: the equivalence ratio of the mixture, the progress of reaction, and the specific enthalpy, to account for heat losses at walls. Mean quantities are estimated from presumed PDFs. This approach is used to numerically predict a turbulent premixed flame diluted by hot burnt products at an equivalence ratio that differs from the main stream of reactants. The investigated flame, subjected to high velocity fluctuations, has a thickened-wrinkled structure. A recently proposed closure for scalar dissipation rate that includes an estimation of the coupling between flame wrinkling and micromixing is retained. Comparisons of simulations with experimental measurements of mean velocity, temperature, and reactants are performed.     

Conditional moment closure modelling of turbulent methanol jet flames

Conditional moment closure (CMC) predictions for a turbulent piloted jet diffusion flame of methanol in air at velocities of 66.2 and 90.3 m s^?1 are presented. Predictions are compared with the experimental joint Raman-Rayleigh-LIF results of Masri et al and laminar flamelet calculations. Three comprehensive chemical mechanisms (SKELETAL, GRI-Mech and SUBGRI) are used to represent the chemistry of the methanol flame. The SKELETAL mechanism shows the best agreement among the various mechanisms employed. It is found that the SUBGRI mechanism reduces computational cost in terms of memory and CPU time without compromising results where the focus is on the main reactive chemistry.

The k-ε-g turbulence model underpredicts the rate of mixing and the predicted flames are somewhat longer than that reported by experiment. In general, the CMC predictions for conditional mean temperature and species mass fractions are very good and show qualitative agreement with experiment. At downstream locations, the overall trends of predicted temperature and species concentration levels are similar to the upstream ones with the latter showing better agreement with the conditional measured levels. CMC predictions show the same order of agreement at higher velocities.

It is believed that the discrepancies on the fuel-rich side may be due to lack of consideration of the conditional fluctuations. The absence of a radially dependent CMC formulation, excluding differential diffusion effects and the inadequacy of the chemical mechanism may also account, partly, for the degree of discrepancy in the predictions.     

Experimental measurements of geometric properties of turbulent stratified flames

Combustion under stratified conditions is common in many systems. However, relatively little is known about the structure and dynamics of turbulent stratified flames. Two-dimensional imaging diagnostics are applied to premixed and stratified V-flames at a mean equivalence ratio of 0.77, and low turbulent intensity, within the corrugated flame range. The present results show that stratification affects the mean turbulent flame speed, structure and geometric properties. Stratification increases the flame surface density above the premixed flame levels in all cases, with a maximum reached at intermediate levels of stratification. The flame surface density (FSD) of stratified flames is higher than that of premixed flames at the same mean equivalence ratio. Under the present conditions, the FSD peaks at a stratification ratio around 3.0. The FSD curves for stratified flames are further skewed towards the product side. The distribution of flame curvature in stratified flames is broader and more symmetric relative to premixed flames, indicating an additional mechanism of curvature generation, which is not necessarily due to cusping. These experiments indicate that flame stratification affects the intrinsic behaviour of turbulent flames and suggest that models may need to be revised in the light of the current evidence.     

Simulations of turbulent lifted jet flames with two-dimensional conditional moment closure

Simulations of H₂ air lifted jet flames are presented, obtained in terms of two-dimensional, first-order conditional moment closure (CMC). The unsteady CMC equation with detailed chemistry is solved without the need for operator splitting, while the accompanying flow field is determined using commercial CFD software employing a k − ε turbulence model. Computed lift-off heights and Favre-averaged species mole fractions are found to be very close to values obtained experimentally for a wide range of jet velocities and fuel–air mixtures. Simulations for which the initial condition is an attached flame and the jet velocity gradually increased do not result in lift-off, a result fully consistent with experimental observation and capturing the hysteresis behaviour of lifted flames. The stabilisation mechanism is explored by quantifying the balance of terms comprising the CMC in the lift-off region. In line with experimental data, it is found that the scalar dissipation rate at the stabilisation height is well below the extinction value, and that axial transport and molecular diffusion play a major role. The radial components of spatial convection and diffusion are always small, fully justifying the alternative approach of employing a cross-stream averaged CMC.     

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 MILD combustion using finite rate chemistry: Effect of combustion sub-grid closure

In this work, we present a detailed comparison between the conventional Partially Stirred Reactor (PaSR) combustion model and two implicit combustion models, named Quasi Laminar Finite Rate (QLFR) model and Laminar Finite Rate (LFR) model, respectively. Large Eddy Simulation (LES) is employed and the Adelaide Jet in Hot Co-flow (AJHC) burner is chosen as validation case. In the implicit combustion models, the filtered source term comes directly from the chemical term, without inclusion of turbulence effects. Results demonstrate that the two implicit models behave similarly to the conventional PaSR model, for the mean and root-mean-square of the temperature and species mass fractions, and that all models provide very satisfactory predictions, especially for the mean values. This justifies the use of implicit combustion models in low Damköhler number (Da ?≤? 1.0) systems. The QLFR model allows to reduce the computational cost of about three times, compared to the LFR model. Moreover, the comparison between two 4-step global mechanisms and the KEE58 mechanism proves the importance of finite rate chemistry in MILD combustion.     

Modelling of turbulent scalar flux in turbulent premixed flames based on DNS databases

A transport equation for scalar flux in turbulent premixed flames was modelled on the basis of DNS databases. Fully developed turbulent premixed flames were obtained for three different density ratios of flames with a single-step irreversible reaction, while the turbulent intensity was comparable to the laminar burning velocity. These DNS databases showed that the countergradient diffusion was dominant in the flame region. Analyses of the Favre-averaged transport equation for turbulent scalar flux proved that the pressure related terms and the velocity–reaction rate correlation term played important roles on the countergradient diffusion, while the mean velocity gradient term, the mean progress variable gradient term and dissipation terms suppressed it. Based on these analyses, modelling of the combustion-related terms was discussed. The mean pressure gradient term and the fluctuating pressure term were modelled by scaling, and these models were in good agreement with DNS databases. The dissipation terms and the velocity–reaction rate correlation term were also modelled, and these models mimicked DNS well.     

Large eddy simulation of turbulent combustion systems

This paper reviews recent and ongoing work on numerical models for turbulent combustion systems based on a classical LES approach. The work is confined to single-phase reacting flows. First, important physico-chemical features of combustion-LES are discussed along with several aspects of overall LES models. Subsequently, some numerical issues, in particular questions associated with the reliability of LES results, are outlined. The details of chemistry, its reduction, and tabulation are not addressed here. Second, two illustrative applications dealing with non-premixed and premixed flame configurations are presented. The results show that combustion-LES is able to provide predictions very close to measured data for configurations where the flow is governed by large turbulent structures. To meet the future demands, new key challenges in specific modelling areas are suggested, and opportunities for advancements in combustion-LES techniques are highlighted. From a predictive point of view, the main target must be to provide a reliable method to aid combustion safety studies and the design of combustion systems of practical importance.     

Hyperacceleration effects on turbulent combustion in premixed step-stabilized flames

Experimental results are presented from an investigation of the effects of large transverse accelerations on flame propagation and blowout limits in premixed step-stabilized flames. The accelerations, which exceed ±10,000 g in the present study, induce large body forces on the high-density reactants and low-density products. These body forces can substantially alter the flame propagation mechanisms and dramatically increase the flame blowout limits. Sustained centripetal accelerations a_c ≡ U²/R are created by flowing a premixed propane–air reactant stream with equivalence ratios 0.7  Φ  1.9 at various speeds U through a semicircular channel with radius R. A backward-facing step of height h on the radially outer (a_c > 0) or inner (a_c < 0) wall stabilizes the flame. For a_c > 0 the acceleration acts to force high-density reactants into the recirculation zone and low-density products into the reactant stream, while a_c < 0 forces hot products into the recirculation zone and impedes cold reactants from entering this zone. An otherwise identical straight channel provides corresponding baseline (a_c = 0) results for comparison. The flow speed U, equivalence ratio Φ, and step height h are systematically varied for a_c = 0, a_c > 0, and a_c < 0. Shadowgraph and chemiluminescence imaging show that as a_c→ +∞ the propagation of the flame across the channel becomes independent of the flame burning velocity and instead is primarily due to large-scale “centrifugal pumping” driven by the induced body forces. For a_c → −∞ the body forces effectively segregate reactants and products to produce a nearly flat flame. In both cases, for large |a_c| values the resulting blowout limits can be substantially higher than those at a_c = 0.