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.     

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.     

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.     

Multiple mapping conditioning of turbulent jet diffusion flames

The multiple mapping conditioning (MMC) approach is applied to two non-piloted CH₄/H₂/N₂ turbulent jet diffusion flames with Reynolds numbers of Re = 15,200 and 22,800. The work presented here examines primarily the suitability of MMC to simulate CH₄/H₂ flames with varying Re numbers. The equations are solved in a prescribed Gaussian reference space with only one stochastic reference variable emulating the fluctuations of mixture fraction. The mixture fraction is considered as the only major species on which the remaining minor species are conditioned. Fluctuations around the conditional means are ignored. It is shown that the statistics of the mapped reference field are an accurate model for the statistics of the physical field for both flames. A transformation of the Gaussian reference space introduced in previous work on MMC is used to express the MMC model in the same form as CMC. The most important advantage of this transformation is that the conditionally averaged scalar dissipation term is in a closed form. The corresponding temperature and reactive species predictions are generally in good agreement with experimental data. The application to real laboratory flames and the assessment of the new conditional scalar dissipation model for the closure of the singly conditioned CMC equation is the major novelty of this paper. The results are therefore primarily examined with respect to changes of the conditionally averaged quantities in mixture fraction space.     

Lagrangian conditional moment closure model with flame group interaction for lifted turbulent spray jet flames

A new Lagrangian conditional moment closure (CMC) model is developed for multiple Lagrangian groups of sequentially evaporating fuel in turbulent spray combustion. Flame group interaction is taken into account as premixed combustion by the eddy breakup (EBU) model in terms of the probability of finding flame groups in the burned and the unburned state. Evaporation source terms are included in the two phase conditional transport equations, although they turn out to have negligible influence on the mean temperature field during combustion. The Lagrangian CMC model is implemented in OpenFOAM [1 H.G. Weller, G. Tabor, H. Jasak, and C. Fureby, A tensorial approach to computational continuum mechanics using object-oriented techniques, Comput. Phys. 12 (1998), pp. 620–631.[Crossref] [Google Scholar]] and validated for test cases in the Engine Combustion Network (ECN) [2 Engine Combustion Network. (2011). Available at http://www.sandia.gov/ecn. [Google Scholar],3 L.M. Pickett, C.L. Genzale, G. Bruneaux, L. Malbec, L. Hermant, C. Christian, and J. Schramm, Comparison of diesel spray combustion in different high-temperature, high-pressure facilities, SAE technical paper 2010-01-2106 (2010). [Google Scholar]]. Similar ignition delays and lift-off lengths are predicted by the incompletely stirred reactor (ISR) and the Eulerian CMC models due to relatively uniform conditional flame structure in the domain. The improved Lagrangian CMC model shows no abrupt reaction or oscillatory behaviour with an appropriate model constant K and gives results in better agreement with measurements lying between the predictions by ISR and Lagrangian CMC without flame group interaction.     

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.     

LES modelling of turbulent non-premixed jet flames with correlated dynamic adaptive chemistry

Large eddy simulations (LES) for turbulent flames with detailed kinetic mechanisms have received growing interest. However, a direct implementation of detailed kinetic mechanisms in LES modelling of turbulent combustion remains a challenge due to the requirement of huge computational resources. An on-the-fly mechanism reduction method named correlated dynamic adaptive chemistry (CoDAC) is proposed to overcome this issue. A LES was conducted for Sandia Flame-D, with the reaction mechanism of GRI-Mech 3.0 consisting of 53 species and 325 reactions. The reduction threshold used in LES was obtained a priori by using auto-ignition model and partially stirred reactor (PaSR) with pairwise mixing model. LES results with CoDAC are in good agreement with experimental data and those without reduction. The conditional mean of the number of selected species indicates that a large size of locally reduced mechanism is required in the reaction zone where CH₄ is destructed. A computational time analysis shows that the PaSR model predicts better than the auto-ignition model on the wall time reduction with CoDAC in LES.     

Fluctuating characteristics of radiative source term in hydrogen turbulent jet diffusion flame

The laminar flamelet model in combination with joint probability density function transport equation of mixture fraction and turbulence frequency is used to simulate turbulent jet diffusion flames of hydrogen. The frequency distributions of radiative source terms are calculated for four important infrared bands of water vapor. The results show that, for the given ensemble, about 95% samples of radiative source term for each band locate within the region of ±3.0 standard deviation of the mean radiative source term. Due to the different relation between band intensity parameters and temperature for every band, the symmetrization of frequency distributions for each band is different.     

Axis switching in turbulent buoyant diffusion flames

Dynamics of buoyant diffusion flames from rectangular, square, and round fuel sources were investigated using direct numerical simulation (DNS). Fully three-dimensional simulations were performed employing high-order numerical methods and boundary conditions to solve governing equations for variable-density flow and finite-rate Arrhenius chemistry. Significant differences among the different cases were revealed in the vortex dynamics, entrainment rate, small-scale mixing, and consequently flame structures. Mixing and entrainment enhancement in non-circular flames in comparison with circular ones was explained using the Biot–Savart instability theory, which relates vortex dynamics to the local azimuthal curvature. An extension of the theory elucidated why rectangular flames entrain more efficiently and spread wider than square ones, although both configurations have corners. It also provided an explanation for the aspect ratio effects in the near field. In the far field, nonlinear effects were dominant and the general transport equations for vorticity were analyzed in detail. The corner effects and aspect ratio effects were shown to be augmented by the intricate interactions among vortex dynamics, combustion, and buoyancy through the various terms in the equations. The presence of corners in non-circular flames led to concentrated regions of fine-scale mixing and intense reactions centered around the corners. Moreover, the rectangular flames exhibited a different dynamic behavior from even the square one, by creating discrepancies in entrainment, mixing, and combustion between the minor and major axis directions. Increasing the aspect ratio exacerbated such directional discrepancies, and ultimately led to axis switching. It was the first time that axis switching was observed by DNS in a rectangular flame of aspect ratio 3, which raised further questions in combustion prediction and control. Finally, a unified explanation for corner and aspect ratio effects was given on the basis of the Biot–Savart instability theory and the vorticity transport equations.     

Analysis of second-order conditional moment closure applied to an autoignitive lifted hydrogen jet flame

The timing and location of autoignition can be highly sensitive to turbulent fluctuations of composition. Second-order Conditional Moment Closure (CMC) provides transport equations for conditional (co)variances in turbulent reacting flows. CMC equations accounting for compressibility and differential diffusion are analyzed using data from direct numerical simulation of an autoignitive lifted turbulent hydrogen jet flame [C.S. Yoo, R. Sankaran, J.H. Chen, Three-dimensional direct numerical simulation of turbulent lifted hydrogen/air jet flame in a heated coflow. Part 1. J. Fluid. Mech., (2008)]. At the flame base, second-order moments were required to accurately model the conditional reaction rates. However, over 80% of the second-order reaction rate component was obtainable with a small subset (16%) of the species-temperature covariances. The balance of the second-order CMC equation showed that turbulent transport across spatial composition gradients initiates generation of conditional variances.     

Three-dimensional numerical simulations of cellular jet diffusion flames

Recent experimental investigations have demonstrated that the appearance of particular cellular states in circular non-premixed jet flames significantly depends on a number of parameters, including the initial mixture strength, reactant Lewis numbers, and proximity to the extinction limit (Damköhler number). For CO₂-diluted H₂/O₂ jet diffusion flames, these studies have shown that a variety of different cellular patterns or states can form. For given fuel and oxidizer compositions, several preferred states were found to co-exist, and the particular state realized was determined by the initial conditions. To elucidate the dynamics of cellular instabilities, circular non-premixed jet flames are modeled with a combination of three-dimensional numerical simulation and linear stability analysis (LSA). In both formulations, chemistry is described by a single-step, finite-rate reaction, and different reactant Lewis numbers and molecular weights are specified. The three-dimensional numerical simulations show that different cellular flames can be obtained close to extinction and that different states co-exist for the same parameter values. Similar to the experiments, the behavior of the cell structures is sensitive to (numerical) noise. During the transient blow-off process, the flame undergoes transitions to structures with different number of cells, while the flame edge close to the nozzle oscillates in the streamwise direction. For conditions similar to the experiments discussed, the LSA results reveal various cellular instabilities, typically with azimuthal wavenumber m = 1–6. Consistent with previous theoretical work, the propensity for the cellular instabilities is shown to increase with decreasing reactant Lewis number and Damköhler number.     

Modelling thermal radiation in buoyant turbulent diffusion flames

This work focuses on the numerical modelling of radiative heat transfer in laboratory-scale buoyant turbulent diffusion flames. Spectral gas and soot radiation is modelled by using the Full-Spectrum Correlated-k (FSCK) method. Turbulence-Radiation Interactions (TRI) are taken into account by considering the Optically-Thin Fluctuation Approximation (OTFA), the resulting time-averaged Radiative Transfer Equation (RTE) being solved by the Finite Volume Method (FVM). Emission TRIs and the mean absorption coefficient are then closed by using a presumed probability density function (pdf) of the mixture fraction. The mean gas flow field is modelled by the Favre-averaged Navier–Stokes (FANS) equation set closed by a buoyancy-modified k-? model with algebraic stress/flux models (ASM/AFM), the Steady Laminar Flamelet (SLF) model coupled with a presumed pdf approach to account for Turbulence-Chemistry Interactions, and an acetylene-based semi-empirical two-equation soot model. Two sets of experimental pool fire data are used for validation: propane pool fires 0.3 m in diameter with Heat Release Rates (HRR) of 15, 22 and 37 kW and methane pool fires 0.38 m in diameter with HRRs of 34 and 176 kW. Predicted flame structures, radiant fractions, and radiative heat fluxes on surrounding surfaces are found in satisfactory agreement with available experimental data across all the flames. In addition further computations indicate that, for the present flames, the gray approximation can be applied for soot with a minor influence on the results, resulting in a substantial gain in Computer Processing Unit (CPU) time when the FSCK is used to treat gas radiation.     

Application of Conditional Source-term Estimation to two turbulent non-premixed methanol flames

Conditional Source-term Estimation (CSE) is a turbulent combustion model that uses conditional averages to close the chemical source term. Previous CSE studies have shown that the model is able to predict the flame characteristics successfully; however, these studies have only focused on simple hydrocarbon fuels mostly composed of methane. The objective of the present paper is to evaluate the capabilities of CSE applied to turbulent non-premixed methanol flames, which has never been done previously. The current study investigates two different types of methanol flames: piloted and bluff-body flames. For the piloted flame, the standard k–ε model is used for turbulence modelling, while the Shear Stress Transport (SST) k–ω model is applied to the bluff-body case. Different values of empirical constants within the turbulence models were tested, and it was found that C_ε1 = 1.7 for the piloted flame and γ₂ = 0.66 for the bluff-body flame provided the best agreement with experimental measurements for the mixing field. Detailed chemistry is included in tabulated form using the Trajectory Generated Low-Dimensional Manifold (TGLDM) method. The predictions including both the Favre-averaged and conditional mass fraction of reactive species and temperature are compared with available experimental data and previous numerical results. Overall, the CSE predictions of conditional and unconditional quantities are in good agreement with the experimental data except for hydrogen. Sources of discrepancies are identified such as the chemical kinetics and neglect of differential diffusion. Large eddy simulations may also help to improve the velocity and mixing field predictions.     

Simultaneous PIV/PTV/OH PLIF imaging: Conditional flow field statistics in partially premixed turbulent opposed jet flames

A combination of particle imaging velocimetry (PIV), particle tracking velocimetry (PTV) and planar laser-induced fluorescence (PLIF) was employed to measure conditional flow field statistics in partially premixed turbulent opposed jet flames. These flames were observed to be very sensitive to excessive seeding of particles. Since flames close to extinction were studied, very low seeding densities were required to prevent impact on the extinction behavior of the flame, and conventional PIV algorithms would have resulted in poor spatial resolution. An improved PIV algorithm was developed, in connection with a PTV procedure used in high-temperature regions of low seed density, and revealed high in-plane resolution up to 300 μm. The PIV/PTV algorithm slightly under-resolved the Kolmogorov scales for the present cases, whereas Batchelor scales were fully resolved in-plane by the simultaneous OH PLIF. In the data processing, transient OH contours obtained from single-shots were used to define flame-fixed coordinates. Conditional velocities, out-of-plane vorticity, 2D dilatation, and both axial and radial strain were processed from the data. The conditional statistics show that vorticity is preferably generated close to the reaction zone, particularly at off-centerline positions. Hence, flow-chemistry interactions could be identified directly in the region of the reaction zone. This finding was also supported by qualitative high speed Mie scattering/chemiluminescence imaging that permitted temporally resolved visualization of the formation of eddies just upstream of the luminous flame areas.     

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.     

Vortex formation and frequency tuning of periodically-excited jet diffusion flames

This paper presents an experimental study on the vortex formation and frequency tuning of jet diffusion flames under periodic excitations. The state-of-art laser diagnostic techniques were applied to provide temporally-resolved measurements for flame and flow structures. The results show that the fame surface deformation is synchronized with the convection of the inner vortex rings (IVRs), demonstrating the crucial role of IVRs in affecting the flame dynamics. The quantitative study on vortex formation and evolution is intended to understand two mechanisms: how the IVR forms, and how it is tuned to the forcing frequency of the perturbed fuel. The qualitative agreement between the predicted circulation growth and experimental data verifies the relevance of the classical starting vortex jet model in addressing the current problem, indicating the vortex growth is mainly dictated by the shear layer of the upstream fuel. The vortex tuning is closely related to the detachment of the main IVR, which is attributed to a secondary “razor vortex” when the shearing between the fuel jet and the coflow switches direction.