Numerical simulations of soot aggregation in premixed laminar flames

In this paper we make use of a detailed particle model and stochastic numerical methods to simulate the particle size distributions of soot particles formed in laminar premixed flames. The model is able to capture the evolution of mass and surface area along with the full structural detail of the particles. The model is validated against previous models for consistency and then used to simulate flames with bimodal and unimodal soot particle distributions. The change in morphology between the particles from these two types of flames provides further evidence of the interplay among nucleation, coagulation, and surface rates. The results confirm the previously proposed role of the strength of the particle nucleation source in defining the instant of transition from coalescent to fractal growth of soot particles.     

Wall-impinging laminar premixed n-dodecane flames under autoignitive conditions

Laminar one-dimensional (1D) flames in a stagnation flow stabilised at a wall are used to study flame–wall interaction under diesel engine conditions. The thermochemical conditions correspond to that of the Engine Combustion Network (ECN) Spray A reference case. A range of inflow velocities is considered, where the lowest inflow velocity is chosen such that the flame is detached from the inlet. The presence of a wall is shown to have a significant impact on the flame structure and emission formation. The 1D flame and homogeneous reactor results exhibit two distinct reaction zones due to low- and high-temperature chemistry (LTC and HTC, respectively). The burner-stabilised flames are overall dominated by autoignition for all inflow velocities. For the impinging jet flames, the response of the LTC reaction zone follows closely that of the burner-stabilised flames up to relatively high inflow velocities. The HTC reaction zone, however, deviates strongly from the burner-stabilised flames, already at low inflow velocities and quenches at high inflow velocities. A budget analysis revealed a strong contribution from diffusion in the HTC reaction zone, resulting in an increasing importance of deflagrative combustion as opposed to autoignition. This trend was attributed to enhanced strain rates at higher inlet velocity leading to higher gradients. Wall heat transfer was also investigated. The highest wall heat transfer rates were observed for mixtures between $\Phi =1.0$ and $\Phi =1.5$ and for inlet velocities just below the quenching limit. This was attributed jointly to the higher peak product temperatures for these mixtures and to their enhanced resilience to quenching under strain which leads to higher temperature gradients at the wall just before quenching. NO formation was studied. The highest NO formation was observed near $\Phi =1.0,$ though the response to strain rate was different for stoichiometric and rich mixtures, which was attributed to differing NO formation pathways.     

Measurements of flame orientation and scalar dissipation in turbulent partially premixed methane flames

Three turbulent flames were studied using a new experimental facility developed at Sandia National Laboratories. Line imaging of Raman and Rayleigh scattering and CO laser-induced fluorescence (LIF) yielded information on all major species, temperature, mixture fraction, and a 1D surrogate measure of scalar dissipation. Simultaneously, crossed planar OH LIF imaging provided information on the instantaneous flame orientation, allowing estimation of the full 3D (flame-normal) scalar dissipation rate. The three flames studied were methane–air piloted jet flames (Sandia flames C, D, and E), which cover a range in Reynolds number from 13,400 to 33,600. The statistics of the instantaneous flame orientation are examined in the different flames, with the purpose of studying the prevailing kinematics of isoscalar contours. The 1D and 3D results for scalar dissipation rate are examined in detail, both in the form of conditional averages and in the form of probability density functions. The effect of overall strain and Reynolds number on flame suppression and eventual extinction is also investigated, by examining the doubly conditional statistics of temperature in the form of S-shaped curves. This latter analysis reveals that double conditioning of temperature on both mixture fraction and scalar dissipation does not collapse the data from these flames onto the same curve at low scalar dissipation rates, as might be expected from simple flamelet concepts.     

Large scale effects in weakly turbulent premixed flames

In this study we numerically investigate large scale premixed flames in weakly turbulent flow fields. A large scale flame is classified as such based on a reference hydrodynamic lengthscale being larger than a neutral (cutoff) lengthscale for which the hydrodynamic or Darrieus–Landau (DL) instability is balanced by stabilizing diffusive effects. As a result, DL instability can develop for large scale flames and is inhibited otherwise. Direct numerical simulations of both large scale and small scale three-dimensional, weakly turbulent flames are performed at constant Karlovitz and turbulent Reynolds number, using two paradigmatic configurations, namely a statistically planar flame and a slot Bunsen flame. As expected from linear stability analysis, DL instability induces its characteristic cusp-like corrugation only on large scale flames. We therefore observe significant morphological and topological differences as well as DL-enhanced turbulent flame speeds in large scale flames. Furthermore, we investigate issues related to reaction rate modeling in the context of flame surface density closure. Thicker flame brushes are observed for large scale flames resulting in smaller flame surface densities and overall larger wrinkling factors.     

Large eddy simulation of piloting effects on turbulent swirling flames

Pilot flames, created by additional injectors of pure fuel, are often used in turbulent burners to enhance flame stabilization and reduce combustion instabilities. The exact mechanisms through which these additional rich zones modify the flame anchoring location and the combustion dynamics are often difficult to identify, especially when they include unsteady hydrodynamic motion. This study presents Large Eddy Simulations (LES) of the reacting flow within a large-scale gas turbine burner for two different cases of piloting, where either 2 or 6% of the total methane used in the burner is injected through additional pilot flame lines. For each case, LES shows how the pilot fuel injection affects both flame stabilization and flame stability. The 6% case leads to a stable flame and limited hydrodynamic perturbations in the initial flame zone. The 2% case is less stable, with a small-lift-off of the flame and a Precessing Vortex Core (PVC) in the cold stabilization zone. This PVC traps some of the lean cold gases issuing from the pilot passage stream, changes the flame stabilization point and induces instability.     

Experimental measurements of two-dimensional planar propagating edge flames

The study of edge flames has received increased attention in recent years. This work reports the results of a recent study into two-dimensional, planar, propagating edge flames that are remote from solid surfaces (called here, “free-layer” flames, as opposed to layered flames along floors or ceilings). They represent an ideal case of a flame propagating down a flammable plume, or through a flammable layer in microgravity. The results were generated using a new apparatus in which a thin stream of gaseous fuel is injected into a low-speed laminar wind tunnel thereby forming a flammable layer along the centerline. An airfoil-shaped fuel dispenser downstream of the duct inlet issues ethane from a slot in the trailing edge. The air and ethane mix due to mass diffusion while flowing up towards the duct exit, forming a flammable layer with a steep lateral fuel concentration gradient and smaller axial fuel concentration gradient. We characterized the flow and fuel concentration fields in the duct using hot wire anemometer scans, flow visualization using smoke traces, and non-reacting, numerical modeling using COSMOSFloWorks. In the experiment, a hot wire near the exit ignites the ethane-air layer, with the flame propagating downwards towards the fuel source. Reported here are tests with the air inlet velocity of 25 cm/s and ethane flows of 967-1299 sccm, which gave conditions ranging from lean to rich along the centerline. In these conditions the flame spreads at a constant rate faster than the laminar burning rate for a premixed ethane-air mixture. The flame spread rate increases with increasing transverse fuel gradient (obtained by increasing the fuel flow rate), but appears to reach a maximum. The flow field shows little effect due to the flame approach near the igniter, but shows significant effect, including flow reversal, well ahead of the flame as it approaches the airfoil fuel source.     

Large eddy simulation of turbulent premixed flames using level-set G-equation

Level-set G-equation and stationary flamelet chemistry are used in large eddy simulation of a propane/air premixed turbulent flame stabilized by a bluff body. The aim was to study the interaction between the flame front and turbulent eddies, and in particular to examine the effect of sub-grid scale (SGS) eddies on the wrinkling of the flame surface. The results indicated that the two types of turbulence eddies—the resolved large scale eddies and the unresolved SGS eddies—have different effects on the flame. The fluctuation of the flame surface, which is responsible for the broadening of the time averaged mean flame brush by turbulence, depends on the large resolved turbulence eddies. Time averaged mean flow velocity, temperature, and major species concentrations mainly depend on the large scale resolved eddies. The unresolved SGS eddies contribute to the wrinkling at the SGS level and play an important role in the enhancement of the propagation speed of the resolved flame front. In addition, the spatially filtered intermediate species, such as radicals, and the spatially filtered reaction rates strongly depend on the small SGS eddies. The asymptotic behavior of flame wrinkling by the SGS eddies, with respect to the decrease in filter size and grid size, is investigated further using a simplified level-set equation in a model shear flow. It is shown that to minimize the influence of the SGS eddies, fine grid and filter size may have to be used.     

The unstable behavior of cellular premixed flames induced by intrinsic instability

The unstable behavior of cellular premixed flames induced by intrinsic instability is studied by two-dimensional unsteady calculations of reactive flows. In the present numerical simulation, the compressible Navier–Stokes equation including a one-step irreversible chemical reaction is employed. We consider two basic types of phenomena to account for the intrinsic instability of premixed flames, i.e., hydrodynamic and diffusive-thermal effects. The hydrodynamic effect is caused by the thermal expansion through the flame front; the diffusive-thermal effect is caused by the preferential diffusion of mass versus heat. A disturbance with several wavelength components is superimposed on a planar flame, and the formation of a cellular flame induced by hydrodynamic and diffusive-thermal effects is numerically simulated. After the cellular-flame formation, the combination and division of cells are observed. The behavior of cellular-flame fronts becomes more unstable when the Lewis number is lower than unity, since the diffusive-thermal effect has a great influence on the unstable behavior. The cell size changes with time, and its average is greater than the critical wavelength and becomes smaller by decreasing the Lewis number. The flame velocity of cellular flames depends strongly on the length of computational domain in the direction tangential to the flame front. As the length of computational domain increases, the flame velocity becomes larger. This is because the long-wavelength components of disturbances play an important role in the shape of cellular flames, i.e., in the flame-surface area.     

Prediction of electron and ion concentrations in low-pressure premixed acetylene and ethylene flames

Flame stabilisation and extinction in a number of different flows can be affected by application of electric fields. Electrons and ions are present in flames, and because of charge separation, weak electric fields can also be generated even when there is no externally applied electric field. In this work, a numerical model incorporating ambipolar diffusion and plasma kinetics has been developed to predict gas temperature, species, and ion and electron concentrations in laminar premixed flames without applied electric fields. This goal has been achieved by combining the existing CHEMKIN-based PREMIX code with a recently developed methodology for the solution of electron temperature and transport properties that uses a plasma kinetics model and a Boltzmann equation solver. A chemical reaction set has been compiled from seven sources and includes chemiionisation, ion-molecule, and dissociative–recombination reactions. The numerical results from the modified PREMIX code (such as peak number densities of positive ions) display good agreement with previously published experimental data for fuel-rich, non-sooting, low-pressure acetylene and ethylene flames without applied electric fields.     

The effects of dimethyl ether and ethanol on benzene and soot formation in ethylene nonpremixed flames

Soot volume fractions, C1-C12 hydrocarbon concentrations, and gas temperature were measured in ethylene/air nonpremixed flames with up to 10% dimethyl ether (CH₃OCH₃) or ethanol (CH₃CH₂OH) added to the fuel. The measurement techniques were laser-induced incandescence, photoionization mass spectroscopy, and thermocouples. Oxygenated hydrocarbons have been proposed as soot-reducing fuel additives, and nonpremixed flames are good laboratory-scale models of the fuel-rich reaction zones where soot forms in many full-scale combustion devices. However, addition of both dimethyl ether and ethanol increased the maximum soot volume fractions in the ethylene flames studied here, even though ethylene is a much sootier fuel than either oxygenate. Furthermore, dimethyl ether produced a larger increase in soot even though neat dimethyl ether flames produce less soot than neat ethanol flames. The detailed species measurements suggest that the oxygenates increase soot concentrations because they decompose to methyl radical, which promotes the formation of propargyl radical (C₃H₃) through C1 + C2 addition reactions and consequently the formation of benzene through propargyl self-reaction. Dimethyl ether has a stronger effect than ethanol because it decomposes more completely to methyl radical. Ethylene does not decompose to methyl, so its flames are particularly sensitive to this mechanism; the alkane-based fuels used in most practical fuels do decompose to methyl radical, so the mechanism will be much less important for practical devices.     

An apparatus-independent extinction strain rate in counterflow flames

Resistance to extinction by stretch is a key property of any flame, and recent work has shown that this property controls the overall structure of several important types of turbulent flames. Multiple definitions of the critical strain rate at extinction (ESR) have been presented in the literature. However, even if the same definition is used, different experiments report different extinction strain rates for flames burning the same fuel-air mixture at very similar temperatures using similarly constructed opposed-flow instruments. Here we show that at extinction, all these flames are essentially identical, so one would expect that each would be assigned the same value of a parameter representing its intrinsic resistance-to-stretch-induced-extinction, regardless of the specifics of the experimental apparatus. A similar situation arises in laminar flame speed measurements since different apparatuses could result in different strain rate distributions. In that instance, the community has agreed to report the unstretched laminar flame speed, and methods have been developed to translate the experimental (stretched) flame speed into a universal unstretched laminar flame speed. We propose an analogous method for translating experimental measurements for stretch-induced extinction into an unambiguous and apparatus-independent quantity (ESR_∞) by extrapolating to infinite opposing burner separation distance. The uniqueness of the flame at extinction is shown numerically and supported experimentally for twin premixed, single premixed, and diffusion flames at Lewis numbers greater than and less than one. A method for deriving ESR_∞ from finite-boundary experimental studies is proposed and demonstrated for methane and propane experimental diffusion and premixed single flame data. The two values agree within the range of ESR differences typically observed between experimental measurements and simulation results for the traditional ESR definition.     

Structural response of different Lewis number premixed flames interacting with a toroidal vortex

Simultaneous measurements of temperature, CH* and OH* chemiluminescent species are carried out to explore the impact of stretch rate and curvature on the structure of premixed flames. The configuration of an initially flat premixed flame interacting with a toroidal vortex is selected for the present study and reasons for this choice are discussed. Lewis number effects are assessed by comparing methane and propane flames. It is emphasized that the flame structure experiences very strong variations. In particular, the flame is shrunk (broadened) in the initial (final) period of the interaction with the vortex where strain rate (curvature) contribution of the stretch rate is predominant. By further analysing independently the thickness of the preheat and reaction zones, it is shown that for propane flames, not only the former but also the latter is significantly altered in zones where the flame curvature is negative. Changes in the reaction zone properties are further emphasized using CH* and OH* radicals. It is demonstrated that higher thermal diffusivity plays a significant role around curved regions, in which the enhanced diffusion of heat leads to a strong increase of CH* compared to OH* intensity. As an overall conclusion, this study suggests that it would be interesting to reassess the internal flame structure at lower and moderate Karlovitz numbers since changes might appear for a moderate vortex intensity with typical size much larger than the flame thickness.     

Combined experimental and computational study of laminar, axisymmetric hydrogen–air diffusion flames

We investigate the structure of two-dimensional, axisymmetric, laminar hydrogen–air flames in which a cylindrical fuel stream is surrounded by coflowing air, using laser-diagnostic and computational methods. Spontaneous Raman scattering and coherent anti-Stokes Raman scattering (CARS) are used to measure the distributions of major species and temperature. Computationally, we solve the governing conservation equations for mass, momentum, energy, and species, using detailed chemistry and transport. The fuel is diluted with nitrogen (1:1) to reduce heat transfer to the burner, to match the zero temperature gradient at the fuel exit. Three average fuel exit velocities are studied: 18, 27, and 50 cm/s. Comparisons of the measured and computed results are performed for radial profiles at a number of axial positions, and along the axial centerline. Peak major species mole fractions and temperatures are quantitatively predicted by the computations, and the axial species profiles are predicted to within the experimental uncertainty. In the radial profiles studied, base-case computations excluding thermal diffusion of light species were in excellent agreement with the measurements. While the addition of thermal diffusion led to some discrepancy with the measured results, the magnitude of the differences was no more than 25%. The computations predicted the axial centerline profiles from the burner exit to the maximum temperature well, though the experimental temperatures in the downstream mixing region decreased somewhat faster than the computed profiles. Radiative losses are seen to be negligible in these flames, and changes in transport properties and variations in initial flow velocities generally led to only modest changes in the axial profiles. The results also show that the detailed axial profiles of major species and temperature at different fuel jet velocities scale quantitatively with the jet velocity.     

Stabilization mechanism of turbulent premixed flames in strongly swirled flows

The stabilization of turbulent premixed flames in strongly swirled flows undergoing vortex breakdown is studied in the case of the ALSTOM En-Vironmental (EV) double cone burner using a simple one-dimensional boundary layer type model and computational fluid dynamics, mainly at the level of large-eddy simulation. The analysis shows that, due to flame curvature effects, the flame speed on the combustor axis is 2 D _t/R _F lower than the turbulent burning rate, where D _t is a characteristic turbulent diffusion coefficient and R _F the flame radius of curvature. Flame propagation with negative speed observed in the experiments, i.e. the flame completely embedded in the central recirculation zone on the symmetry axis, is explained with the one-dimensional model as caused by the factor 2 D _t/R _F being larger than the characteristic turbulent burning rate. A peculiar sudden displacement of the flame anchoring location deep into the burner, which takes place experimentally at a critical value of the equivalence ratio, cannot however be explained with the present one-dimensional approach due to the modelling assumptions. The mathematical analysis is supported in this case with large-eddy simulation which can accurately reproduce the flame behaviour across the full operating range. It is finally shown that steady RANS methods cannot cope with the problem due to their inability to correctly predict the velocity flowfield in this burner.     

Asymptotic analysis to the effect of temperature gradient on the propagation of triple flames

We study asymptotically in this paper the influence of the temperature gradient across the mixing layer on the propagation triple flames formed inside a porous wall channel. The study begins by formulating the problem mathematically using the thermo-diffusive model and then presents a thorough asymptotic analysis of the problem in the limit of large activation energy and thin flames. Analytical formulae for the local burning speed, the flame shape and the propagation speed in terms of the temperature gradient parameter have been derived. It was shown that varying the feed temperatures can significantly enhance the burning of the reactants up to a critical threshold, beyond which no solutions can be obtained. In addition, the study showed that increasing the temperature at the boundaries will modify the usual triple structure of the flame by inverting the upper premixed branch and extending it to the boundary, which may have great implications on the safety of the adopted combustion chambers.     

Simulations and experiments on the ignition probability in turbulent premixed bluff-body flames

The ignition characteristics of a premixed bluff-body burner under lean conditions were investigated experimentally and numerically with a physical model focusing on ignition probability. Visualisation of the flame with a 5 kHz OH* chemiluminescence camera confirmed that successful ignitions were those associated with the movement of the kernel upstream, consistent with previous work on non-premixed systems. Performing many separate ignition trials at the same spark position and flow conditions resulted in a quantification of the ignition probability P_ign, which was found to decrease with increasing distance downstream of the bluff body and a decrease in equivalence ratio. Flows corresponding to flames close to the blow-off limit could not be ignited, although such flames were stable if reached from a richer already ignited condition. A detailed comparison with the local Karlovitz number and the mean velocity showed that regions of high P_ign are associated with low Ka and negative bulk velocity (i.e. towards the bluff body), although a direct correlation was not possible. A modelling effort that takes convection and localised flame quenching into account by tracking stochastic virtual flame particles, previously validated for non-premixed and spray ignition, was used to estimate the ignition probability. The applicability of this approach to premixed flows was first evaluated by investigating the model's flame propagation mechanism in a uniform turbulence field, which showed that the model reproduces the bending behaviour of the S_T-versus-u′ curve. Then ignition simulations of the bluff-body burner were carried out. The ignition probability map was computed and it was found that the model reproduces all main trends found in the experimental study.     

Diffusive-thermal instabilities of diffusion flames: onset of cells and oscillations

A comprehensive stability analysis of planar diffusion flames is presented within the context of a constant-density model. The analysis provides a complete characterization of the possible patterns that are likely to be observed as a result of differential and preferential diffusion when a planar flame becomes unstable. A whole range of physical parameters is considered, including the Lewis numbers associated with the fuel and the oxidizer, the initial mixture fraction, and the flow conditions. The two main forms of instability are cellular flames, obtained primarily in fuel-lean systems when the Lewis numbers are generally less than one, and planar pulsations, obtained in fuel-rich systems when the Lewis numbers are generally larger than one. The cellular instability is predominantly characterized by stationary cells of characteristic dimension comparable to the diffusion length, but smaller cells that scale on the reaction zone thickness are also possible near extinction conditions. The pulsating instability is characterized by planar oscillations normal to the flame sheet with a well-defined frequency comparable to the reciprocal of the diffusion time; high-frequency modes are also possible just prior to extinction. The analysis also alludes to other possible patterns, such as oscillating cellular structures, which result from competing modes of instability of comparable and/or disparate scales. The expected pattern depends of course on the underlying physical parameters. Consequently, stability boundaries have been identified for the onset of one or another form of the instability. The conditions for the onset of cellular and pulsating flames, as well as the predicted cell size and the frequency of oscillations, compare well with the experimental record.     

Turbulent piloted partially-premixed flames with varying levels of O2/N2: stability limits and PDF calculations

This paper reports measured stability limits and PDF calculations of piloted, turbulent flames of compressed natural gas (CNG) partially-premixed with either pure oxygen, or with varying levels of O₂/N₂. Stability limits are presented for flames of CNG fuel premixed with up to 20% oxygen as well as CNG–O₂–N₂ fuel where the O₂ content is varied from 8 to 22% by volume. Calculations are presented for (i) Sydney flame B [Masri et al. 1988] which uses pure CNG as well as flames B15 to B25 where the CNG is partially-premixed with 15–25% oxygen by volume, respectively and (ii) Sandia methane–air (1:3 by volume) flame E [Barlow et al. 2005] as well as new flames E15 and E25 that are partially-premixed with ‘reconstituted air’ where the O₂ content in nitrogen is 15 and 25% by volume, respectively. The calculations solve a transported PDF of composition using a particle-based Monte Carlo method and employ the EMST mixing model as well as detailed chemical kinetics. The addition of oxygen to the fuel increases stability, shortens the flames, broadens the reaction zone, and shifts the stoichiometric mixture fraction towards the inner side of the jet. It is found that for pure CNG flames where the reaction zone is narrow (～0.1 in mixture fraction space), the PDF calculations fail to reproduce the correct level of local extinction on approach to blow-off. A broadening in the reaction zone up to about 0.25 in mixture fraction space is needed for the PDF/EMST approach to be able to capture these finite-rate chemistry effects. It is also found that for the same level of partial premixing, increasing the O₂/N₂ ratio increases the maximum levels of CO and NO but shifts the peak to richer mixture fractions. Over the range of oxygenation investigated here, stability limits have shown to improve almost linearly with increasing oxygen levels in the fuel and with increasing the contribution of release rate from the pilot.     

A flamelet analysis of the burning velocity of premixed turbulent expanding flames

Direct numerical simulation is a very powerful tool to evaluate the validity of new models and theories for turbulent combustion. In this paper, direct numerical simulations of spherically expanding premixed turbulent flames in the corrugated flamelet regime are performed. The flamelet-generated manifold method is used to deal with detailed reaction kinetics. The numerical method is validated for both laminar and turbulent expanding flames. The computational results are analyzed by using an extended flame stretch theory. It is investigated whether this theory is able to describe the influence of flame stretch and curvature on the local burning velocity of the flame. If the full profiles of flame stretch and curvature through the flame front are included in the theory, the local mass burning rate is predicted accurately. The influence of several approximations, which are used in other existing theories, is studied. When flame stretch is assumed to be constant through the flame front or when curvature of the flame front is neglected, the theory fails to predict the local mass burning rate.