Assessment of the performances of sub-grid scalar flux models for premixed flames with different global Lewis numbers: A Direct Numerical Simulation analysis

The statistical behaviours of sub-grid flux of reaction progress variable has been assessed for premixed turbulent flames with global Lewis number Le (=thermal diffusivity/mass diffusivity) ranging from 0.34 to 1.2 using a Direct Numerical Simulation (DNS) database of freely propagating statistically planar flames. It is known that the sub-grid scalar flux shows counter-gradient transport when the velocity jump across the flame due to heat release overcomes the effects of turbulent velocity fluctuation. The results show that the sub-grid scalar flux components exhibit counter-gradient transport for all cases considered here. The extent of counter-gradient transport increases with increasing filter width Δ and decreasing value of Le. This is due to the fact that flames with Le ≪ 1 (e.g. Le = 0.34) exhibit thermo-diffusive instabilities, which in turn increases the extent of counter-gradient transport. The effects of heat release and flame normal acceleration weaken with increasing Le. Several established algebraic models have been assessed in comparison to the sub-grid scalar flux components extracted from explicitly filtered DNS data in terms of their correlation coefficients at the vector level and their mean variation conditional on the Favre-filtered progress variable. The gradient transport closure does neither capture the quantitative nor the qualitative behaviour of the different sub-grid scalar flux components for all filter widths in all cases considered here. Models which account for local flame normal acceleration perform better, especially when the flame remains completely unresolved. In particular those models that account for the alignment of local resolved velocity and scalar gradients by using a tensor diffusivity, perform relatively better than the other alternative models irrespective of Le.     

Scale similarity based models and their application to subgrid scale scalar flux modelling in the context of turbulent premixed flames

The performance of a variety of scale similarity (SS) type models for closure of sub-grid scalar flux in the context of Large Eddy Simulations (LES) of premixed turbulent combustion has been assessed. In addition to the well-known SS models, a more recent development by Anderson and Domaradzki (2012) is included in the analysis and also further model extensions and improvements are discussed. The work is based on a priori analysis of two Direct Numerical Simulation (DNS) databases of freely propagating turbulent premixed flames with a range of different Lewis and turbulent Reynolds numbers. Depending on the balance between the effects of flame normal acceleration due to heat release and the effects of turbulent velocity fluctuations, as well as the filter size, the subgrid-scalar flux exhibits both local gradient and counter-gradient transport which presents a considerable modelling challenge. The assessment is based on a correlation analysis and on the magnitude of the model expressions conditional on the Favre averaged reaction progress variable in comparison to the value obtained from DNS. Despite the fact that most of the models have been developed in the context of momentum transport in non-reactive flows they show either comparable or better performance in comparison to more conventional models used for reactive scalar flux closure. It is found that some models are sensitive to the test filter width and recommendations are provided in this regard. Further it is observed that the use of a Favre test filter substantially increases the correlation strength in direction of mean flame propagation where effects of heat release are most pronounced.     

Statistics and Modelling of Turbulent Kinetic Energy Transport in Different Regimes of Premixed Combustion

The statistical behaviour of turbulent kinetic energy transport in turbulent premixed flames is analysed using data from three-dimensional Direct Numerical Simulation (DNS) of freely propagating turbulent premixed flames under decaying turbulence. For flames within the corrugated flamelets regime, it is observed that turbulent kinetic energy is generated within the flame brush. By contrast, for flames within the thin reaction zones regime it has been found that the turbulent kinetic energy decays monotonically through the flame brush. Similar trends are observed also for the dissipation rate of turbulent kinetic energy. Within the corrugated flamelets regime, it is demonstrated that the effects of the mean pressure gradient and pressure dilatation within the flame are sufficient to overcome the effects of viscous dissipation and are responsible for the observed augmentation of turbulent kinetic energy in the flame brush. In the thin reaction zones regime, the effects of the mean pressure gradient and pressure dilatation terms are relatively much weaker than those of viscous dissipation, resulting in a monotonic decay of turbulent kinetic energy across the flame brush. The modelling of the various unclosed terms of the turbulent kinetic energy transport equation has been analysed in detail. The predictions of existing models are compared with corresponding quantities extracted from DNS data. Based on this a-priori DNS assessment, either appropriate models are identified or new models are proposed where necessary. It is shown that the turbulent flux of turbulent kinetic energy exhibits counter-gradient (gradient) transport wherever the turbulent scalar flux is counter-gradient (gradient) in nature. A new model has been proposed for the turbulent flux of turbulent kinetic energy, and is found to capture the qualitative and quantitative behaviour obtained from DNS data for both the corrugated flamelets and thin reaction zones regimes without the need to adjust any of the model constants.     

Statistical Analysis of Scalar Dissipation Rate Transport in Turbulent Partially Premixed Flames: A Direct Numerical Simulation Study

Statistically planar turbulent premixed and partially premixed flames for different initial turbulence intensities are simulated for global equivalence ratios ??>?=?0.7 and ??>?=?1.0 using three-dimensional Direct Numerical Simulations (DNS) with simplified chemistry. For the simulations of partially premixed flames, a random distribution of equivalence ratio following a bimodal distribution of equivalence ratio is introduced in the unburned reactants ahead of the flame. The simulation parameters in all of the cases were chosen such that the combustion situation belongs to the thin reaction zones regime. The DNS data has been used to analyse the behaviour of the dissipation rate transports of both active and passive scalars (i.e. the fuel mass fraction Y _F and the mixture fraction ξ) in the context of Reynolds Averaged Navier–Stokes (RANS) simulations. The behaviours of the unclosed terms of the Favre averaged scalar dissipation rates of fuel mass fraction and mixture fraction (i.e. \(\widetilde {\varepsilon }_Y =\overline {\rho D\nabla Y_F^{\prime \prime } \cdot \nabla Y_F^{\prime \prime } } /\overline{\rho }\) and \(\widetilde {\varepsilon }_\xi =\overline {\rho D\nabla \xi ^{\prime \prime }\cdot \nabla \xi ^{\prime \prime }} /\overline {\rho })\) transport equations have been analysed in detail. In the case of the \(\widetilde {\varepsilon }_Y \) transport, it has been observed that the turbulent transport term of scalar dissipation rate remains small throughout the flame brush whereas the terms due to density variation, scalar–turbulence interaction, reaction rate and molecular dissipation remain the leading order contributors. The term arising due to density variation remains positive throughout the flame brush and the combined contribution of the reaction and molecular dissipation to the \(\widetilde {\varepsilon }_Y \) transport remains negative throughout the flame brush in all cases. However, the behaviour of scalar–turbulence interaction term of the \(\widetilde {\varepsilon }_Y \) transport equation is significantly affected by the relative strengths of turbulent straining and the straining due to chemical heat release. In the case of the \(\widetilde {\varepsilon }_\xi \) transport, the turbulent transport term remains small throughout the flame brush and the density variation term is found to be negligible in all cases, whilst the reaction rate term is exactly zero. The scalar–turbulence interaction term and molecular dissipation term remain the leading order contributors to the \(\widetilde {\varepsilon }_\xi \) transport throughout the flame brush in all cases that have been analysed in the present study. Performances of existing models for the unclosed terms of the transport equations of \(\widetilde {\varepsilon }_Y \) and \(\widetilde {\varepsilon }_\xi \) are assessed with respect to the corresponding quantities obtained from DNS data. Based on this exercise either suitable models have been identified or new models have been proposed for the accurate closure of the unclosed terms of both \(\widetilde {\varepsilon }_Y \) and \(\widetilde {\varepsilon }_\xi \) transport equations in the context of Reynolds Averaged Navier–Stokes (RANS) simulations.     

Evaluations of SGS Combustion,Scalar Flux and Stress Models in a Turbulent Jet Premixed Flame

A newly developed fractal dynamic SGS (FDSGS) combustion model and a scale self-recognition mixed (SSRM) SGS stress model are evaluated along with other SGS combustion, scalar flux and stress models in a priori and a posteriori manners using DNS data of a hydrogen-air turbulent plane jet premixed flame. A posteriori tests reveal that the LES using the FDSGS combustion model can predict the combustion field well in terms of mean temperature distributions and peak positions in the transverse distributions of filtered reaction progress variable fluctuations. A priori and a posteriori tests of the scalar flux models show that a model proposed by Clark et al. accurately predicts the counter-gradient transport as well as the gradient diffusion, and introduction of the model of Clark et al. into the LES yields slightly better predictions of the filtered progress variable fluctuations than that of a gradient diffusion model. Evaluations of the stress models reveal that the LES with the SSRM model predicts the velocity fluctuations well compared to that with the Smagorinsky model.     

The Scalar Gradient Alignment Statistics of Flame Kernels and its Modelling Implications for Turbulent Premixed Combustion

The effects of mean flame curvature on reaction progress variable gradient, $\nabla c$ , alignment with local turbulent strain rate are studied based on three-dimensional Direct Numerical Simulation (DNS) data of turbulent premixed flame kernels with different initial radii under decaying turbulence. A statistically planar flame is also considered in order to compare the results obtained from the kernels with a flame of zero mean curvature. It is found that the dilatation rate effects diminish with decreasing kernel radius due to defocusing of heat in the positively curved regions. This gives rise to a decrease in the extent of reaction progress variable gradient alignment with most extensive principal strain rate with decreasing kernel radius. The modelling implications of the statistics of the alignment of $\nabla c$ with local strain rate have been studied in terms of scalar dissipation rate transport. A new modelling methodology for the contribution of the scalar-turbulence interaction term in the transport equation for the mean scalar dissipation is suggested addressing the reduced effects of dilatation rate for flame kernels and the diminished value of turbulent straining at the small length scales at which turbulence interacts with small flame kernels. The performance of the new models is found to be satisfactory while comparing to DNS results. The existing models for the dilatation contribution and the combined chemical reaction and molecular dissipation contributions to the transport of mean scalar dissipation, which were originally proposed for statistically planar flames, are found to satisfactorily predict the corresponding quantities for turbulent flame kernels.     

A Non-Adiabatic Flamelet Progress�CVariable Approach for LES of Turbulent Premixed Flames

A progress variable/flame surface density/probability density function method has been employed for a Large Eddy Simulation of a CH₄/Air turbulent premixed bluff body flame. In particular, both mean and variance of the progress variable are transported and subgrid spatially filtered gradient contributes to model the flame surface density (that introduces the effect of the subgrid flame reaction zone) and to presume a probability density function (that introduces the effect of subgrid fluctuations on chemistry). Chemistry is preliminarly tabulated in terms of laminar premixed flames and enthalpy is included as a new coordinate in their tabulation to take into account heat losses in the flowfield. Then, the PDF is used to build a turbulent flamelet library. The filtered mass, momentum, enthalpy and scalar equations mentioned above are integrated by an explicit scheme using finite differences, 2nd?Corder accurate in space and third order in time, over a cylindrical non-uniform grid using a staggered mesh. The bluff-body geometry is modelled by using the Immersed Boundary Method. The numerical predictions are compared with the available experimental data.     

Measurements of Scalar Variance, Scalar Dissipation, and Length Scales in Turbulent Piloted Methane/Air Jet Flames

One-dimensional (line) measurements of mixture fraction, temperature, and scalar dissipation in piloted turbulent partially premixed methane/air jet flames (Sandia flames C, D, and E) are presented. The experimental facility combines line imaging of Raman scattering, Rayleigh scattering, and laser-induced CO fluorescence. Simultaneous single-shot measurements of temperature and the mass fractions of all the major species (N₂, O₂, CH₄, CO₂, H₂O, CO, and H₂) are obtained along 7 mm segments with a nominal spatial resolution of 0.2 mm. Mixture fraction, ξ, is then calculated from the measured mass fractions. Ensembles of instantaneous mixture fraction profiles at several streamwise locations are analyzed to quantify the effect of spatial averaging on the Favre average scalar variance, which is an important term in the modeling of turbulent nonpremixed flames. Results suggest that the fully resolved scalar variance may be estimated by simple extrapolation of spatially filtered measurements. Differentiation of the instantaneous mixture fraction profiles yields the radial contribution to the scalar dissipation, χ _r = 2D _ξ(?ξ/?r)², and radial profiles of the Favre mean and rms scalar dissipation are reported. Scalar length scales, based on autocorrelation of the spatial profiles of ξ and χ _r , are also reported. These new data on this already well-documented series of flames should be useful in the context of validating models for sub-grid scalar variance and for scalar dissipation in turbulent flames.     

Scalar turbulence model investigation with variable turbulent Prandtl number in heated jets and diffusion flames

Traditional turbulence models using constant turbulent Prandtl number fail to predict the experimentally observed anisotropies in the thermal eddy diffusivity and thermal turbulent intensity fields. Accurate predictions depend strongly on the turbulence model employed. Consequently, the objective of this paper is to assess the performance of turbulence model with variable turbulent Prandtl number in predicting of thermal and scalar fields quantities. The model is applied to axisymmetric turbulent round jet with variable density and in turbulent hydrogen diffusion flames using the flamelet concept. The k − ɛ turbulence model is used in conjunction with thermal field; the model involves solving supplemental scalar equations for the temperature variance and its dissipation rate. The model predictions are compared with available experimental data for the purpose of validating model. In reacting cases, velocity and scalar (including temperature and mass fractions) predictions agree relatively well in the near field of the investigated diluted hydrogen flames.     

One-Dimensional Modeling of Turbulent Premixed Jet Flames - Comparison to DNS

The one-dimensional turbulence (ODT) model, formulated in an Eulerian reference frame, is applied to a temporally-evolving premixed turbulent hydrogen plane-jet flame and results are compared with direct numerical simulation (DNS) data. This is the first published study to perform direct comparisons of ODT to DNS for premixed flames. The ODT model solves the full set of conservation equations for mass, momentum, energy, and species on a one-dimensional domain corresponding to the transverse jet direction. The effects of turbulent mixing are modeled via a stochastic process, while the full range of diffusive-reactive length and time scales are resolved directly on the one-dimensional domain. A detailed chemical mechanism for hydrogen combustion consisting of 9 species and 21 reactions and a mixture-averaged transport model are used (consistent with the DNS). Cases with two different Damköhler numbers are considered and comparisons between the ODT and DNS data are shown with respect to flow dynamics and thermochemistry. The ODT compared favorably with the DNS in terms of the overall entrainment as judged by the streamwise velocity profile and in terms of local flamelet structure as judged by progress-variable conditional reaction and scalar dissipation rates. While the ODT agreed qualitatively with the overall flame evolution, the net fuel consumption rate was somewhat over-predicted for a brief early period and under-predicted later on, leading to an overly long flame burnout time. It was demonstrated that adjusting a parameter controlling the selection of large eddies improved the prediction of the peak fuel consumption rate and overall reaction progress but worsened the prediction of jet entrainment. An analysis of the 1D nature of ODT is presented that suggests the FSD in ODT needs to be much higher than the FSD in the DNS in order to achieve the same overall burning rate, suggesting that the FSD is under-predicted by a significant fraction. While the success of the ODT in reproducing many of the salient features of nonpremixed flames has been demonstrated, the current study suggests that improvements are needed when applied to premixed flames. It is also important to note that the DNS required approximately 40×10⁶ CPU hours while the ODT required approximately 10³ CPU hours.     

Experimental characterization of non-premixed turbulent jet propane flames

This paper reports an experimental study conducted on turbulent jet propane flames aiming at further understanding of turbulent structure in non-premixed slow-chemistry combustion systems. Measurements of mean and fluctuating velocity and temperature fields, mean concentration of major chemical species, correlation between velocity and temperature fluctuations, and dissipation of temperature fluctuations are reported in a turbulent round jet non-premixed propane flame, Re=20 400 and 37 600, issuing vertically in still air. The experimental conditions were designed to provide a complete definition of the upstream boundary conditions in the measurement domain for the purpose of validating computational models. The measured data depicts useful flow field information for describing turbulent non-premixed slow-chemistry flames. Velocity–temperature correlation measurements show turbulent heat fluxes tended to be restricted to the mixing layer where large temperature gradients occurred. Observations of non-gradient diffusion of heat at x/D=10 were verified. Temperature fluctuation dissipation, χ, showed the highest values in the shear layer, where the variance of temperature fluctuations was maximum and combustion occurred. The isotropy between the temperature dissipation in the radial and tangential directions was confirmed. By contrast, the observed anisotropy between axial and radial directions of dissipation suggests the influence of large structures in the entrainment shear layer on the production of temperature fluctuations in the flame region. The value of the normalized scalar dissipation at the stoichiometric mixture fraction surface, χ_st, was calculated, and ranges between 2 and 4 s⁻¹. The measured data were used to estimate the budgets in the balance equations for turbulent kinetic energy, Reynolds shear stresses, turbulent heat flux and temperature variance, quantifying the mechanisms involved in the generation of turbulence as well as in the transport of the temperature.     

Numerical Study and Lagrangian Modelling of Turbulent Heat Transport

A stochastic Lagrangian model for both fluid velocities and temperature fluctuations is evaluated from Direct Numerical Simulation of heat transport in homogeneous isotropic turbulence submitted to a linear mean temperature gradient. The first stage lies on the study of the Lagrangian fluid turbulence statistics (Lagrangian correlations functions) computed from predictions of DNS. They are crucial for the analysis and the modelling of the fluid turbulent properties along discrete particle trajectories. In the second stage, a velocity-scalar Lagrangian stochastic model is proposed and evaluated from the DNS data. The coefficients of the drift and diffusion terms of the model are determined by only Lagrangian timescales, temperature variance and turbulent flux. The shapes of correlation functions present a good agreement between DNS results and stochastic modelling approach.     

Scalar Dissipation Rate Transport in the Context of Large Eddy Simulations for Turbulent Premixed Flames with Non-Unity Lewis Number

The effects of global Lewis number Le on the statistical behaviour of the unclosed terms in the transport equation of the Favre-filtered scalar dissipation rate (SDR) Ñ _c have been analysed using a Direct Numerical Simulation (DNS) database of freely propagating statistically planer turbulent premixed flames with Le ranging from 0.34 to 1.2. The DNS data has been explicitly filtered to analyse the statistical behaviour of the unclosed terms in the SDR transport equation arising from turbulent transport T ₁, density variation due to heat release T ₂, scalar-turbulence interaction T ₃, reaction rate gradient T ₄, molecular dissipation (?D ₂) and diffusivity gradients f(D) in the context of Large Eddy Simulations (LES). It Le has significant effects on the magnitudes of T ₁, T ₂, T ₃, T ₄, (?D ₂) and f(D). Moreover, both qualitative and quantitative behaviours of the unclosed terms T ₁, T ₂, T ₃, T ₄, (?D ₂) and f(D) are found to be significantly affected by the LES filter width Δ, which have been explained based on a detailed scaling analysis. Both scaling analysis and DNS data suggest that T ₂, T ₃, T ₄, (?D ₂) and f(D) remain leading order contributors to the SDR \(\tilde {{N}}_{c} \) transport for LES. The scaling estimates of leading order contributors to the SDR \(\tilde {{N}}_{c} \) transport has been utilised to discuss the possibility of extending an existing SDR model for Reynolds Averaged Navier Stokes (RANS) simulation for SDR \(\tilde {{N}}_{c} \) closure in the context of LES of turbulent premixed combustion.     

Scale properties of turbulent transport and coherent structure in stably stratified flows

The empirical mode decomposition (EMD) is used to study the scale properties of turbulent transport and coherent structures based on velocity and temperature time series in stably stratified turbulence. The analysis is focused on the scale properties of intermittency and coherent structures in different modes and the contributions of energy-contained coherent structures to turbulent scalar counter-gradient transport (CGT). It is inferred that the velocity intermittency is scattered to more modes with the development of the stratified flow, and the intermittency is enhanced by the vertical stratification, especially in small scales. The anisotropy of the field is presented due to different time scales of coherent structures of streamwise and vertical velocities. There is global counter-gradient heat transport close to the turbulence-generated grid, and there is local counter-gradient heat transport at certain modes in different positions. Coherent structures play a principal role in the turbulent vertical transport of temperature.     

Spatial resolution effects on the measurement of scalar variance and scalar gradient in turbulent nonpremixed jet flames

The effect of spatial averaging is important for scalar gradient measurements in turbulent nonpremixed flames, especially when the local dissipation length scale is small. Line imaging of Raman, Rayleigh and CO-LIF is used to investigate the effects of experimental resolution on the scalar variance and radial gradient in the near field of turbulent nonpremixed CH₄/H₂/N₂ jet flames at Reynolds numbers of 15,200 and 22,800 (DLR-A and B) and in piloted CH₄/air jet flames at Reynolds numbers of 13,400, 22,400 and 33,600 (Sandia flames C/D/E). The finite spatial resolution effects are studied by applying the Box filter with varying filter widths. The resulting resolution curves for both scalar variance and mean squared-gradient follow nearly the same trends as theoretical curves calculated from the model turbulence kinetic energy spectrum of Pope. The observed collapse of resolution curves of mean squared-gradient for nearly all studied cases implies the shape of the dissipation spectrum is approximately universal. Fluid transport properties are shown to have no effect on the dissipation resolution curve, which implies that the dissipation length scale inferred from the square gradient is equivalent to the length scale for the scalar dissipation rate, which includes the diffusion coefficient. With the Box filter, the required spatial resolution to resolve 98% of the mean dissipation rate is about one−two times of the dissipation cutoff length scale (analogous to the Batchelor scale in turbulent isothermal flows). The effects of resolution on the variances of mixture fraction, temperature, and the inverted Rayleigh signal are also compared. The ratio of the filtered variance to the true variance is shown to depend nearly linearly on the probe resolution. The inverted Rayleigh scattering signal can be used to study the resolution effect on temperature variance even when the Rayleigh scattering cross section is not constant. The experimental results also indicate that these laboratory scale turbulent jet flames have small effective Reynolds numbers, such that there is some direct interaction of the large (energy containing) and small (dissipative) scalar length scales, especially for the near field case at x/d = 7.5 of the piloted Sandia flames C/D/E.     

Simulations of Turbulent Non-Premixed Counterflow Flames with First-Order Conditional Moment Closure

Simulations of turbulent CH₄-air counterflow flames are presented, obtained in terms of zero and two-dimensional first-order Conditional Moment Closure (CMC) to study the flame structure and extinction limits. The CMC equation with detailed chemistry is solved without the need for operator splitting, while the accompanying flow field is determined using a commercial CFD software employing a Reynolds stress turbulence model and additional transport equations for the turbulent scalar flux and for the mean scalar dissipation rate. Two detailed chemical mechanisms and different conditional scalar dissipation rate models have been examined and small differences were found.The first-order CMC captures the overall structure of the counterflow flame accurately for the unconditional averages. The calculated conditional averages behave as if the scalar dissipation rate were under-predicted, although a comparison with measurement of the conditional scalar dissipation rate is reasonable. The calculated extinction velocity is found to be much higher than the experimental value, but the trend of increasing extinction velocity with air dilution of the fuel stream is captured well. The discrepancies with the data are mostly attributed to the neglect of conditional fluctuations.     

Towards an Extension of TFC Model of Premixed Turbulent Combustion

In order to determine the mean rate of product creation within the framework of the Turbulent Flame Closure (TFC) model of premixed combustion, the model is combined with a simple closure of turbulent scalar flux developed recently by the present authors based on the flamelet concept of turbulent burning. The model combination is assessed by numerically simulating statistically planar, one-dimensional, developing premixed flames that propagate in frozen turbulence. The mean rate of product creation yielded by the combined model decreases too slowly at the trailing edges of the studied flames, with the effect being more pronounced at longer flame-development times and larger ratios of rms turbulent velocity u′ to laminar flame speed S _L . To resolve the problem, the above closure of turbulent scalar flux is modified and the combination of the modified closure and TFC model yields reasonable behaviour of the studied rate. In particular, simulations indicate an increase in the mean combustion progress variable associated with the maximum rate by u′/S _L , in line with available DNS data. Finally, the modified closure of turbulent scalar flux is validated by computing conditioned velocities and turbulent scalar fluxes in six impinging-jet flames. The use of the TFC model for simulating such flames is advocated.