Inclusion of Preferential Diffusion in Simulations of Premixed Combustion of Hydrogen/Methane Mixtures with Flamelet Generated Manifolds

In this paper we study the possibility to account for preferential diffusion effects in lean turbulent premixed flames in numerical predictions with reduced chemistry. We studied the situation when hydrogen is added to methane at levels of 20% and 40% by volume in the fuel, at lean combustion (??=?0.7) with air. The base case of pure methane was used as a reference. In this case preferential diffusion effects are negligible. First the sensitivity of the mass burning rate to flame stretch was investigated, in one dimensional computations with detailed chemistry, to set reference values. Then the framework of the Flamelet Generated Manifolds (FGM) was used to construct an adequate chemical method to take preferential diffusion into account, without the need for using detailed chemistry. To that end a generalization of the method was presented in which five controlling variables are required. For this system, proper transport equations and effective Lewis numbers where derived. In practice not all five variables are necessary to include and as a first step we limited the amount in the numerical tests in this study to two controlling variables. The method was then tested in configurations in which there was an interaction of coherent vortices and turbulence with flames. It was demonstrated that a minimum of two controlling variables is needed to account for the changed mass burning rate as function of stretch and curvature. It was shown that one-dimensional FGM as well as one-step Arrhenius kinetics can not describe this relation.     

Curvature and Velocity of Methane-Air Bunsen Flame Tips

PIV and photographic recording are used to measure the velocity of the fresh gas and the shape of the reaction layer in a region around the tip of a methane-air Bunsen flame attached to a cylindrical burner. The results compare well with numerical simulations carried out with an infinite activation energy reaction model. The experimental and numerical results confirm that the well-known linear relation between flame velocity and flame stretch derived from asymptotic theory for weakly curved and strained flames is valid for small and moderate values of the flame stretch if the modified definition of stretch introduced by Echekki and Mungal (Proc Combust Inst 23:455?C461, 1990) and Poinsot et al. (Combust Sci Technol 81:45?C73, 1992) is used. However, the relation between flame velocity and modified stretch ceases to be linear and approaches a square root law for large values of the stretch, when the curvature of the flame tip becomes large compared to the inverse of the thickness of a planar flame.     

LES-CMC of a Partially Premixed,Turbulent Dimethyl Ether Jet Diffusion Flame

Large-eddy simulations have been coupled with a conservative formulation of the conditional moment closure (CMC) approach for the computation of a turbulent, partially-premixed dimethyl-ether jet flame. Two different numerical setups and 3 different detailed chemical mechanisms were investigated. The results are compared with measurements of velocity, temperature, and major and intermediate species. The general agreement between simulations and experiments is very good, and differences between the different mechanisms are limited to the predicted concentrations of intermediates only. Larger differences can be observed if the CMC grid size is reduced. This is due to reduced averaging effects on the conditionally averaged dissipation rates that allow to better capture high dissipation events that lead to larger deviations from a fully burning solution. A high CMC resolution provides excellent agreement with experiments throughout the flame and the results demonstrate CMC’s capability to accurately predict turbulence-chemistry interactions in partially-premixed flames involving complex chemistry.     

Flame Surface Density in Turbulent Premixed V-Flame with Buoyancy

A fractional step numerical model is established for turbulent premixed combustion with buoyancy. The flame front propagation is described by the level-set method. Simulated results without buoyancy have been previously validated with available experimental data on a premixed V-flame. A new formula is presented to fit the flame surface density with respect to the reaction progress variable in a turbulent premixed V-flame. By numerical simulations, dynamical behaviour of the flame under the interaction of turbulence, exothermicity and buoyancy are investigated.     

CH double-pulsed PLIF measurement in turbulent premixed flame

The flame displacement speeds in turbulent premixed flames have been measured directly by the CH double-pulsed planar laser-induced fluorescence (PLIF). The CH double-pulsed PLIF systems consist of two independent conventional CH PLIF measurement systems and laser beams from each laser system are led to same optical pass using the difference of polarization. The highly time-resolved measurements are conducted in relatively high Reynolds number turbulent premixed flames on a swirl-stabilized combustor. Since the time interval of the successive CH PLIF can be selected to any optimum value for the purpose intended, both of the large scale dynamics and local displacement of the flame front can be discussed. By selecting an appropriate time interval (100–200 μs), deformations of the flame front are captured clearly. Successive CH fluorescence images reveal the burning/generating process of the unburned mixtures or the handgrip structures in burnt gas, which have been predicted by three-dimensional direct numerical simulations of turbulent premixed flames. To evaluate the local flame displacement speed directly from the successive CH images, a flame front identification scheme and a displacement vector evaluation scheme are developed. Direct measurements of flame displacement speed are conducted by selecting a minute time interval (≈30 μs) for different Reynolds number (Re _λ = 63.1–115.0). Local flame displacement speeds coincide well for different Reynolds number cases. Furthermore, comparisons of the mean flame displacement speed and the mean fluid velocity show that the convection in the turbulent flames will affect the flame displacement speed for high Reynolds number flames.     

Flame Curvature Distribution in High Pressure Turbulent Bunsen Premixed Flames

The flame curvature statistics of turbulent premixed Bunsen flames have been analysed in this paper using a Direct Numerical Simulation (DNS) database of turbulent Bunsen flames at ambient and elevated pressures. In order to be able to perform a large parametric study in terms of pressure, heat release parameter, turbulence conditions and nozzle diameter, a single step Arrhenius type irreversible chemistry has been used for the purpose of computational economy, where thermo-chemical parameters are adjusted to match the behavior of stoichiometric methane-air flames. This analysis focuses on the characterization of the local flame geometry in response to turbulence and hydro-dynamic instability. The shape of the flame front is found to be consistent with existing experimental data. Although the Darrieus Landau instability promotes cusp formation, a qualitatively similar flame morphology can be observed for hydro-dynamically stable flames. A criterion has been suggested for the curvature PDF to become negatively skewed.     

Tubulent Methane/Air Premixed Flame Structure at High Karlovitz Numbers

2D Direct Numerical Simulations of methane/air turbulent premixed flames at initial Karlovitz numbers ranging from 600 to 9500 are performed. Instantaneous results are then extracted and analyzed with a focus on the inner flame structure. Snapshots reveal that the distributed reaction zone regime, theoretically reached around Ka?≈?100, is not attained before Ka?≈?2000. A correction of the definition of Ka is proposed in order to account for gas expansion across the flame, and is found to be consistent with the previous observations. The fuel-consumption zone is shown to be highly affected by turbulence and the characteristics of flames developing at lower Ka cannot be seen: the reaction zone is indeed strongly stretched and curved by intense turbulence leading to the formation of large protruding structures. In addition, the heat release rate layer is found to be broader and more distributed than at lower Ka as small turbulent eddies are able to survive inside it. No local flame quenching is however noticed. A statistical analysis of the distributed flame highlighted three major features characterizing this regime: significant broadening of the whole flame results from the presence of small eddies inside the reaction zone, temperature evolves linearly with respect to the progress variable and minor species peak mass fractions are lower than in a laminar flame. These results have important consequences for turbulent combustion modelling of flames in the distributed combustion regime.     

Large Eddy Simulation of Stratified and Sheared Flames of a Premixed Turbulent Stratified Flame Burner Using a Flamelet Model with Heat Loss

This paper presents large eddy simulations (LES) of the Darmstadt turbulent stratified flame burner (TSF) at different operating conditions including detailed heat loss modeling. The target cases are a non-reacting and two reacting cases. Both reacting cases are characterized by stratification, while one flame additionally features shear. In the regime diagram for premixed combustion, the studied flames are found at the border separating the thin reaction zones regime and the broken reaction zones regime. A coupled level set/progress variable model is utilized to describe the combustion process. To account for heat loss, an enthalpy defect approach is adopted and reformulated to include differential diffusion effects. A novel power-law rescaling methodology is proposed to integrate the enthalpy defect approach into the level set/progress variable model which is extensively validated in two validation scenarios. It is demonstrated that the LES with the newly developed model captures the influence of heat loss well and that the incorporation of heat loss effects improves the predictions of the TSF-burner over adiabatic simulations, while reproducing the experimentally observed flame lift-off from the pilot nozzle.     

Large Eddy Simulation of a Polydisperse Ethanol Spray Flame

Ethanol is identified as an interesting alternative fuel. In this regards, the predictive capability of combustion Large Eddy Simulation approach coupled to Lagrangian droplet dynamic model to retrieve the turbulent droplet dispersion, droplet size distribution, spray evolution and combustion properties is investigated in this paper for an ethanol spray flame. Following the Eulerian-Lagrangian approach with a fully two way coupling, the Favre-filtered low Mach number Navier-Stokes equations are solved on structured grids with dynamic sub-grid scale models to describe the turbulent carrier gas phase. Droplets are injected in polydisperse manner and generated in time dependent boundary conditions. They evaporate to form an air-fuel mixture that yields spray flame. Part of the ethanol droplets evaporates within the prevaporization area before reaching the combustion zone, making the flame to burn in a partially premixed regime. The chemistry is described by a tabulated detailed chemistry based on the flamelet generated manifold approach. The fuel, ethanol, is modeled by a detailed reaction mechanism consisting of 56 species and 351 reversible reactions. The simulation results including excess gas temperature, droplet velocities and corresponding fluctuations, droplet mean diameters and spray volume flux at different distances from the exit plane show good agreement with experimental data. Analysis of combustion spray features allows gaining a deep insight into the two-phase flow process ongoing.     

LES Modeling of the Impact of Heat Losses and Differential Diffusion on Turbulent Stratified Flame Propagation: Application to the TU Darmstadt Stratified Flame

Common combustion chambers often exhibit turbulent flames propagating in partially-premixed mixtures. This propagation is generally governed by aerodynamics, unsteady mixing and chemical processes and may also be affected by conductive heat losses when the reactive zone develops close to the burner lips. The Filtered TAbulated Chemistry for Large Eddy Simulation (F-TACLES) model has been recently developed to include tabulated chemistry in Large Eddy Simulation (LES) of adiabatic stratified flames in flamelet regimes. The present article proposes a modeling approach to account for both differential diffusion and non-adiabatic effects on flame consumption speed following the F-TACLES formalism. The adiabatic F-TACLES model is first detailed using a generalized formalism for diffusive fluxes allowing either to account for differential diffusion or not. The F-TACLES model is then extended to non-adiabatic situations. A correction factor based on the non-adiabatic consumption rate is introduced to recover a realistic filtered flame consumption speed. The objective is here to tackle flame stabilization mechanisms when heat losses affect the reaction zone. The proposed approach is validated through the simulation of the unconfined stratified turbulent jet flame TSF-A for which stabilization process is affected by heat losses. Five simulations are performed for both adiabatic and non-adiabatic flow conditions comparing unity Lewis number and complex diffusion assumptions. The adiabatic F-TACLES model predicts a flame anchored at the burner lip disagreeing with experimental data. The non-adiabatic simulation exhibits local extinction due to heat losses near the burner exit. The flame is then lifted improving the comparison with experiments. Results also show a significant impact of molecular diffusion model on both mean flame consumption rate and angle.     

High-resolution computed tomography of a turbulent reacting flow

Computed tomography (CT) has the potential to greatly enhance our understanding of the turbulent flow structures, the combustion chemistry, and the interactions between the two, which challenge us in our attempts to understand and model the details of turbulent combustion. Here, we present high-resolution and fully three-dimensional measurements of the flame surface of a turbulent reacting flow. The CT-reconstructed images show the flame front, at a single instant in time, of a turbulent, premixed propane/air flame. The significance of this powerful experimental tool is to provide new insight into turbulent combustion, allowing for the development of cleaner burning, higher power, and more efficient combustors.     

Turbulence Intensity and Length Scale Effects on Premixed Turbulent Flame Propagation

The effects of varying turbulence intensity and turbulence length scale on premixed turbulent flame propagation are investigated using Direct Numerical Simulation (DNS). The DNS dataset contains the results of a set of turbulent flame simulations based on separate and systematic changes in either turbulence intensity or turbulence integral length scale while keeping all other parameters constant. All flames considered are in the thin reaction zones regime. Several aspects of flame behaviour are analysed and compared, either by varying the turbulence intensity at constant integral length scale, or by varying the integral length scale at constant turbulence intensity. The turbulent flame speed is found to increase with increasing turbulence intensity and also with increasing integral length scale. Changes in the turbulent flame speed are generally accounted for by changes in the flame surface area, but some deviation is observed at high values of turbulence intensity. The probability density functions (pdfs) of tangential strain rate and mean flame curvature are found to broaden with increasing turbulence intensity and also with decreasing integral length scale. The response of the correlation between tangential strain rate and mean flame curvature is also investigated. The statistics of displacement speed and its components are analysed, and the findings indicate that changes in response to decreasing integral length scale are broadly similar to those observed for increasing turbulence intensity, although there are some interesting differences. These findings serve to improve current understanding of the role of turbulence length scales in flame propagation.

     

Effect of wall conditions on DDT in hydrogen–oxygen mixtures

Detonation in ducts is usually studied assuming adiabatic walls because of the high kinetic energy due to the incoming flow being supersonic. In the present work, numerical simulations of deflagration-to-detonation transition (DDT) using a detailed chemical reaction model are performed under adiabatic and isothermal boundary conditions in a tube with no-slip walls. The results show a local explosion driving DDT, which occurs near the tube wall in the case of an adiabatic wall, but close to the flame front in the case of an isothermal wall. Furthermore, to examine the effects of a turbulent boundary layer, a simulation using the Baldwin–Lomax turbulence model is carried out. In the case of the isothermal wall, there is again a local explosion near the tube wall, which leads to detonation. In summary, the present study confirms that the boundary conditions affect the transition to detonation and that the boundary layer is a key component of DDT.     

Large Eddy Simulation of Turbulent Reacting Shear Layers Including Finite-Rate Chemistry and Detailed Diffusion Processes

Large eddy simulations (LES) of turbulent temporal shear layers with hydrogen chemistry are performed. In these simulations, approximate deconvolution is applied as an implicit subgrid-scale modeling approach to a reacting flow in combination with a steady flamelet model for the filtered heat release term. No additional heuristical or physical subgrid models are used. The formulation of the flamelet equations in physical space does not only allow to consider a detailed reaction scheme and the extinguished phase but also to take into account detailed diffusion mechanisms (Soret and Dufour effects, multicomponent diffusion coefficients). Two different levels of diffusion approximations are investigated in this work, the aim of which is twofold: Firstly, to verify approximate deconvolution as a tool for convective transport of mass, momentum and energy in gas flow, by comparing the LES results with those of a direct numerical simulation and secondly, to investigate the influence of detailed diffusion on the laminar flamelets and the LES results.     

Finite Rate Chemistry Effects in Highly Sheared Turbulent Premixed Flames

Detailed scalar structure measurements of highly sheared turbulent premixed flames stabilized on the piloted premixed jet burner (PPJB) are reported together with corresponding numerical calculations using a particle based probability density function (PDF) method. The PPJB is capable of stabilizing highly turbulent premixed jet flames through the use of a small stoichiometric pilot that ensures initial ignition of the jet and a large shielding coflow of hot combustion products. Four lean premixed methane-air flames with a constant jet equivalence ratio are studied over a wide range of jet velocities. The scalar structure of the flames are examined through high resolution imaging of temperature and OH mole fraction, whilst the reaction rate structure is examined using simultaneous imaging of temperature and mole fractions of OH and CH₂O. Measurements of temperature and mole fractions of CO and OH using the Raman–Rayleigh–LIF-crossed plane OH technique are used to examine the flame thickening and flame reaction rates. It is found that as the shear rates increase, finite-rate chemistry effects manifest through a gradual decrease in reactedness, rather than the abrupt localized extinction observed in non-premixed flames when approaching blow-off. This gradual decrease in reactedness is accompanied by a broadening in the reaction zone which is consistent with the view that turbulence structures become embedded within the instantaneous flame front. Numerical predictions using a particle-based PDF model are shown to be able to predict the measured flames with significant finite-rate chemistry effects, albeit with the use of a modified mixing frequency.     

New Directions in Advanced Modeling and in Situ Measurements Near Reacting Surfaces

Multidimensional numerical modeling and in situ spatially-resolved measurements of gas-phase thermoscalars over the catalyst boundary layer have fostered fundamental investigation of the heterogeneous and homogeneous chemical reaction pathways and their coupling at realistic operating conditions. The methodology for validating catalytic and gas-phase reaction mechanisms is firstly outlined for industrially-relevant fuels. Combination of advanced modeling and in situ near-wall species and velocity measurements is then used to address the intricate interplay between interphase fluid transport (laminar or turbulent) and hetero-/homogeneous kinetics. Controlling parameters of this interplay are the homogeneous ignition chemistry, flame propagation characteristics, competition between the catalytic and gaseous pathways for fuel consumption, diffusional imbalance of the limiting reactant, flow laminarization due to heat transfer from the hot catalytic walls, and fuel leakage through the gaseous reaction zone. Dynamic reactor operation and intrinsic flame dynamics driven by interactions between homogeneous kinetics and catalytic walls are outlined using detailed transient simulation. It is shown that the presence of catalytic reactions moderates flame instabilities. Future directions for transient modeling and for temporally-resolved in situ near-wall measurements are finally summarized.     

Acetone Droplet Behavior in Reacting and Non Reacting Turbulent Flow

Acetone droplet characteristics in reacting and non-reacting turbulent flow are predicted and compared to experimental data. Investigations are conducted to study the effects of surrounding environment properties on the velocities, dispersion, and evaporation of a relatively volatile spray fuel that featured a wide range of Stokes numbers. The simulations are performed in the framework of Reynolds Averaged Navier Stokes equations along with the Eulerian-Lagrangian approach in which 12 different classes of the dispersed phase. The phase transition is modeled by the Langmuir-Knudsen law that accounts for non equilibrium effects based on a consistent determination of the molar mass fraction on the droplet surfaces. For the droplet dispersion, the Markov sequence model is improved by adding a correction drift term to the fluid fluctuation velocity at the parcel position along the droplet trajectory. This correction term aimed at accounting for the non-homogeneity effects in the turbulent flow. The combustion is captured using the Bray-Moss-Libby model that is extended to account for the partially premixed spray combustion. The chemistry is described with the flamelet model using a recent detailed reaction mechanism that involves 84 species and 409 reactions for which the Lewis number is not set to the unity. Mean droplet velocities for reacting and non-reacting test cases are compared with experimental data. Good agreement is observed. The spray is interacting with the nozzle edge developing new classes and relatively dense region. Hence the RMS-velocities close to the nozzle exit plan demonstrate discrepancies. The droplets group combustion effect is found to be important in the modeling of the burning velocity which influences the flame propagation. Reasonable agreements between the numerical and the experimental results are also observed in the spray flux and temperature profiles.