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.     

Computational and experimental investigation of the interaction of soot and NO in coflow diffusion flames

A combined computational and experimental investigation that examines the relationship of soot formation and NO in coflow ethylene air diffusion flames is presented. While both NO and soot formation are often studied independently, there is a need to understand their coupled relationship as a function of system parameters such as fuel type, temperature and pressure. The temperature decrease due to radiative losses in systems in which significant soot is produced can affect flame length and other temperature-dependent processes such as the formation of NO. The results of a computational model that includes a sectional representation for soot formation with a radiation model are compared against laser-induced fluorescence measurements of NO. The sooting characteristics of these flames have been studied previously. Experimentally, a laser near 225.8 nm is used to excite the γ(0, 0) band in NO. Spectrally resolved fluorescence emission is imaged radially, for the (0, 0), (0, 1), (0, 2), (0, 3), and (0, 4) vibrational bands, at varying axial heights to create a two-dimensional image of NO fluorescence. A reverse quenching correction is applied to the computational results to determine an expected fluorescence signal for comparison with experimental results. Modeling results confirm that Fenimore NO is the dominant mechanism for NO production and suggest that for lightly sooting flames (peak soot volume fraction < 0.5 ppm), soot reduces only the Zeldovich NO formation (by a factor of two). For flames with increased soot levels (peak soot volume fraction ∼ 4 ppm), the model indicates not only that Zeldovich NO decreases by a factor of 2.5 through radiation loss, but that non-Zeldovich NO is reduced in the top center of the flame by about 30% through the oxidation of soot.     

TDLAS-based in situ measurement of absolute acetylene concentrations in laminar 2D diffusion flames

We report the first quantitative and calibration-free in situ C₂H₂ measurement in a flame environment using direct Tunable Diode Laser Absorption Spectroscopy(TDLAS). Utilizing a fiber-coupled Distributed Feedback diode laser near 1535 nm we measured spatially resolved, absolute C₂H₂ concentration profiles in a laminar non-premixed CH₄/air flame supported on a modified Wolfhard-Parker slot burner with N₂ purge slots to minimize end flames. We developed a wavelength tuning scheme combining laser temperature and current modulation to record with a single diode laser a mesh of 37 overlapping spectral windows and generate an ∼7 nm (30 cm⁻¹) wide, high-resolution absorption spectrum centered at 1538 nm. Experimental C₂H₂ spectra in a reference cell showed excellent agreement with simulations using HITRAN2004 data. The enhanced wavelength coverage was needed to establish correct C₂H₂ line identification and selection in the very congested high temperature flame spectra and led to the P17e line as the only candidate for in situ detection of C₂H₂ in the flame. We used highly efficient optical disturbance correction algorithms for treating transmission and background emission fluctuations in combination with a multiple Voigt line Levenberg-Marquardt fitting algorithm and Pt/Rh thermocouple measurements to achieve fractional optical resolutions of up to 4 × 10⁻⁵ OD (1σ) in the flame (T up to 2000 K). Temperature dependent C₂H₂ detection limits for the P17e line were 60 to 480 ppm. By translating the burner through the laser beam with a DC motor we obtained spatially resolved, absolute C₂H₂ concentration profiles along the flame sheet with 0.5 mm spatial resolution as measured with a knife edge technique. The TDLAS-based, transverse C₂H₂ concentration profiles without any scaling are in excellent agreement with published mass spectrometric C₂H₂ data for the same flame supported on a similar burner, thus validating our calibration-free TDLAS measurements.     

A computational study of soot formation and flame structure of coflow laminar methane/air diffusion flames under microgravity and normal gravity

A numerical study is conducted of methane–air coflow diffusion flames at microgravity (μg) and normal gravity (1g), and comparisons are made with experimental data in the literature. The model employed uses a detailed gas phase chemical kinetic mechanism that includes PAH formation and growth, and is coupled to a sectional soot particle dynamics model. The model is able to accurately predict the trends observed experimentally with reduction of gravity without any tuning of the model for different flames. The microgravity sooting flames were found to have lower temperatures and higher volume fraction than their normal gravity counterparts. In the absence of gravity, the flame radii increase due to elimination of buoyance forces and reduction of flow velocity, which is consistent with experimental observations. Soot formation along the wings is seen to be surface growth dominated, while PAH condensation plays a more major role on centreline soot formation. Surface growth and PAH growth increase in microgravity primarily due to increases in the residence time inside the flame. The rate of increase of surface growth is more significant compared to PAH growth, which causes soot distribution to shift from the centreline of the flame to the wings in microgravity.     

Simulations of normal and inverse laminar diffusion flames under oxygen enhancement and gravity variation

Steady-state global chemistry calculations for 20 different flames were carried out using an axisymmetric Computational Fluid Dynamics (CFD) code. Computational results for 16 flames were compared with flame images obtained at the NASA Glenn Research Center. The experimental flame data for these 16 flames were taken from Sunderland et al. [4 Sunderland, P. B., Krishnan, S. S and Gore, J. P. 2004. Effects of oxygen enhancement and gravity on normal and inverse laminar jet diffusion flames. Combust. Flame, 136: 254–256. [Crossref], [Web of Science ®] , [Google Scholar]] which included normal and inverse diffusion flames of ethane with varying oxidiser compositions (21, 30, 50, 100% O₂ mole fraction in N₂) stabilised on a 5.5 mm diameter burner. The test conditions of this reference resulted in highly convective inverse diffusion flames (Froude numbers of the order of 10) and buoyant normal diffusion flames (Froude numbers ～0.1). Additionally, six flames were simulated to study the effect of oxygen enhancement on normal diffusion flames. The enhancement in oxygen resulted in increased flame temperatures and the presence of gravity led to increased gas velocities. The effect of gravity-variation and oxygen enhancement on flame shape and size of normal diffusion flames was far more pronounced than for inverse diffusion flames. For normal-diffusion flames, their flame-lengths decreased (1 to 2 times) and flames-widths increased (2 to 3 times) when going from earth-gravity to microgravity, and flame height decreased by five times when going from air to a pure oxygen environment.     

Analytical predictions of shapes of laminar diffusion flames in microgravity and earth gravity

Flame shape is an important observed characteristic of flames that can be used to scale flame properties such as heat release rates and radiation. Flame shape is affected by fuel type, oxygen levels in the oxidiser, inverse burning and gravity. The objective of this study is to understand the effect of high oxygen concentrations, inverse burning, and gravity on the predictions of flame shapes. Flame shapes are obtained from recent analytical models and compared with experimental data for a number of inverse and normal ethane flame configurations with varying oxygen concentrations in the oxidiser and under earth gravity and microgravity conditions. The Roper flame shape model was extended to predict the complete flame shapes of laminar gas jet normal and inverse diffusion flames on round burners. The Spalding model was extended to inverse diffusion flames. The results show that the extended Roper model results in reasonable predictions for all microgravity and earth gravity flames except for enhanced oxygen normal diffusion flames under earth gravity conditions. The results also show trends towards cooler flames in microgravity that are in line with past experimental observations. Some key characteristics of the predicted flame shapes and parameters needed to describe the flame shape using the extended Roper model are discussed.     

Numerical simulation of laminar co-flow methane–oxygen diffusion flames: effect of chemical kinetic mechanisms

Laminar co-flow methane–oxygen flames issuing into the unconfined atmosphere have been studied. A numerical model, which employs different chemical kinetics sub-models, including a skeletal mechanism with 43 reaction steps and 18 species and four global reaction mechanisms (two 2-steps and two 4-steps mechanisms), and an optically thin radiation sub-model, has been employed in the simulations. Numerical model has been validated against the experimental results available in literature. The numerical predictions from the global kinetic mechanisms have been compared with the 43-steps mechanism predictions. At all oxygen flow rates, the predictions of the distributions of temperature, mass fractions of CH₄, O₂ and CO₂ by the 2-steps mechanisms are closer to 43-steps mechanism. The overall distribution of H₂O predicted by 2-steps mechanisms is close to that of 43-steps except for the maximum value. Especially at higher oxygen flow rates, the modified 2-steps mechanism predicts these quantities much closer to those predicted by the 43-steps mechanism. Further, the 2-steps mechanisms predict location of the reaction zone accurately. However, they can just give an idea of overall CO distribution in terms of the axial and radial locations within which CO will almost be consumed, but not its maximum value in the domain. The 4-steps mechanisms predict the trend of variation of these quantities quite reasonably. However, they under-predict the location of the reaction zone. At higher oxygen flow rates, the predictions by 4-steps mechanisms becomes better, especially in the prediction of maximum CO and H₂O. Over all, the modified 2-steps mechanism can be recommended for reasonable and economical predictions of oxy-rich methane flames.     

Computational and experimental study of JP-8, a surrogate, and its components in counterflow diffusion flames

Non-sooting counterflow diffusion flames have been studied both computationally and experimentally, using either JP-8, or a six-component JP-8 surrogate mixture, or its individual components. The computational study employs a counterflow diffusion flame model, the solution of which is coupled with arc length continuation to examine a wide variety of inlet conditions and to calculate extinction limits. The surrogate model includes a semi-detailed kinetic mechanism composed of 221 gaseous species participating in 5032 reactions. Experimentally, counterflow diffusion flames are established, in which multicomponent fuel vaporization is achieved through the use of an ultrasonic nebulizer that introduces small fuel droplets into a heated nitrogen stream, fostering complete vaporization without fractional distillation. Temperature profiles and extinction limits are measured in all flames and compared with predictions using the semi-detailed mechanism. These measurements show good agreement with predictions in single-component n-dodecane, methylcyclohexane, and iso-octane flames. Good agreement also exists between predicted and measured variables in flames of the surrogate, and the agreement is even better between the experimental JP-8 flames and the surrogate predictions.     

Influence of Strouhal number on pulsating methane–air coflow jet diffusion flames

Four periodically time-varying methane–air laminar coflow jet diffusion flames, each forced by pulsating the fuel jet's exit velocity U _j sinusoidally with a different modulation frequency w _j and with a 50% amplitude variation, have been computed. Combustion of methane has been modeled by using a chemical mechanism with 15 species and 42 reactions, and the solution of the unsteady Navier–Stokes equations has been obtained numerically by using a modified vorticity-velocity formulation in the limit of low Mach number. The effect of w _j on temperature and chemistry has been studied in detail. Three different regimes are found depending on the flame's Strouhal number S = aw _j /U _j , with a denoting the fuel jet radius. For small Strouhal number (S = 0.1), the modulation introduces a perturbation that travels very far downstream, and certain variables oscillate at the frequency imposed by the fuel jet modulation. As the Strouhal number grows, the nondimensional frequency approaches the natural frequency of oscillation of the flickering flame (S ? 0.2). A coupling with the pulsation frequency enhances the effect of the imposed modulation and a vigorous pinch-off is observed for S = 0.25 and S = 0.5. Larger values of S confine the oscillation to the jet's near-exit region, and the effects of the pulsation are reduced to small wiggles in the temperature and concentration values. Temperature and species mass fractions change appreciably near the jet centerline, where variations of over 2 % for the temperature and 15 % and 40 % for the CO and OH mass fractions, respectively, are found. Transverse to the jet movement, however, the variations almost disappear at radial distances on the order of the fuel jet radius, indicating a fast damping of the oscillation in the spanwise direction.     

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.     

Effects of soot absorption and scattering on LII intensities in laminar coflow diffusion flames

Absorption and scattering of laser-induced incandescence (LII) intensities by soot particles present between the measurement volume and the detector were numerically investigated at detection wavelengths of 400 and 780 nm in a laminar coflow ethylene/air flame. The radiative properties of aggregated soot particles were calculated using the Rayleigh-Debye-Gans polydisperse fractal aggregate theory. The radiative transfer equation in emitting, absorbing, and scattering media was solved using the discrete-ordinates method. The radiation intensity along an arbitrary direction was obtained using the infinitely small weight technique. The effects of absorption and scattering on LII intensities are found to be significant under the conditions of this study, especially at the shorter detection wavelength and when the soot volume fraction is higher. Such a wavelength-dependent signal-trapping effect leads to a lower soot particle temperature estimated from the ratio of uncorrected LII intensities at the two detection wavelengths. The corresponding soot volume fraction derived from the absolute LII intensity technique is overestimated. The Beer-Lambert relationship can be used to describe radiation attenuation in absorbing and scattering media with good accuracy provided the effective extinction coefficient is adequately.     

A LES-CMC formulation for premixed flames including differential diffusion

A finite volume large eddy simulation–conditional moment closure (LES-CMC) numerical framework for premixed combustion developed in a previous studyhas been extended to account for differential diffusion. The non-unity Lewis number CMC transport equation has an additional convective term in sample space proportional to the conditional diffusion of the progress variable, that in turn accounts for diffusion normal to the flame front and curvature-induced effects. Planar laminar simulations are first performed using a spatially homogeneous non-unity Lewis number CMC formulation and validated against physical-space fully resolved reference solutions. The same CMC formulation is subsequently used to numerically investigate the effects of curvature for laminar flames having different effective Lewis numbers: a lean methane–air flame with Le_eff = 0.99 and a lean hydrogen–air flame with Le_eff = 0.33. Results suggest that curvature does not affect the conditional heat release if the effective Lewis number tends to unity, so that curvature-induced transport may be neglected. Finally, the effect of turbulence on the flame structure is qualitatively analysed using LES-CMC simulations with and without differential diffusion for a turbulent premixed bluff body methane–air flame exhibiting local extinction behaviour. Overall, both the unity and the non-unity computations predict the characteristic M-shaped flame observed experimentally, although some minor differences are identified. The findings suggest that for the high Karlovitz number (from 1 to 10) flame considered, turbulent mixing within the flame weakens the differential transport contribution by reducing the conditional scalar dissipation rate and accordingly the conditional diffusion of the progress variable.     

Computational and experimental study of oxygen-enhanced axisymmetric laminar methane flames

Three axisymmetric laminar coflow diffusion flames, one of which is a nitrogen-diluted methane/air flame (the ‘base case’) and the other two of which consist of nitrogen-diluted methane vs. pure oxygen, are examined both computationally and experimentally. Computationally, the local rectangular refinement method is used to solve the fully coupled nonlinear conservation equations on solution-adaptive grids. The model includes C2 chemistry (GRI 2.11 and GRI 3.0 chemical mechanisms), detailed transport, and optically thin radiation. Because two of the flames are attached to the burner, thermal boundary conditions at the burner surface are constructed from smoothed functional fits to temperature measurements. Experimentally, Raman scattering is used to measure temperature and major species concentrations as functions of the radial coordinate at various axial positions. As compared to the base case flame, which is lifted, the two oxygen-enhanced flames are shorter, hotter, and attached to the burner. Computational and experimental flame lengths show excellent agreement, as do the maximum centreline temperatures. For each flame, radial profiles of temperature and major species also show excellent agreement between computations and experiments, when plotted at fixed values of a dimensionless axial coordinate. Computational results indicate peak NO levels in the oxygen-enhanced flames to be very high. The majority of the NO in these flames is shown to be produced via the thermal route, whereas prompt NO dominates for the base case flame.     

Soot formation and temperature field structure in co-flow laminar methane-air diffusion flames at pressures from 10 to 60 atm

The effects of pressure on soot formation and the structure of the temperature field were studied in co-flow methane-air laminar diffusion flames over a wide pressure range, from 10 to 60 atm in a high-pressure combustion chamber. The selected fuel mass flow rate provided diffusion flames in which the soot was completely oxidized within the visible flame envelope and the flame was stable at all pressures considered. The spatially resolved soot volume fraction and soot temperature were measured by spectral soot emission as a function of pressure. The visible (luminous) flame height remained almost unchanged from 10 to 100 atm. Peak soot concentrations showed a strong dependence on pressure at relatively lower pressures; but this dependence got weaker as the pressure is increased. The maximum conversion of the fuel’s carbon to soot, 12.6%, was observed at 60 atm at approximately the mid-height of the flame. Radial temperature gradients within the flame increased with pressure and decreased with flame height above the burner rim. Higher radial temperature gradients near the burner exit at higher pressures mean that the thermal diffusion from the hot regions of the flame towards the flame centerline is enhanced. This leads to higher fuel pyrolysis rates causing accelerated soot nucleation and growth as the pressure increases.     

A computational framework for predicting laminar reactive flows with soot formation

Numerical modeling is an attractive option for cost-effective development of new high-efficiency, soot-free combustion devices. However, the inherent complexities of hydrocarbon combustion require that combustion models rely heavily on engineering approximations to remain computationally tractable. More efficient numerical algorithms for reacting flows are needed so that more realistic physics models can be used to provide quantitative soot predictions. A new, highly-scalable combustion modeling tool has been developed specifically for use on large multiprocessor computer architectures. The tool is capable of capturing complex processes such as detailed chemistry, molecular transport, radiation, and soot formation/destruction in laminar diffusion flames. The proposed algorithm represents the current state of the art in combustion modeling, making use of a second-order accurate finite-volume scheme and a parallel adaptive mesh refinement (AMR) algorithm on body-fitted, multiblock meshes. Radiation is modeled using the discrete ordinates method (DOM) to solve the radiative transfer equation and the statistical narrow-band correlated-k (SNBCK) method to quantify gas band absorption. At present, a semi-empirical model is used to predict the nucleation, growth, and oxidation of soot particles. The framework is applied to two laminar coflow diffusion flames which were previously studied numerically and experimentally. Both a weakly-sooting methane–air flame and a heavily-sooting ethylene–air flame are considered for validation purposes. Numerical predictions for these flames are verified with published experimental results and the parallel performance of the algorithm analyzed. The effects of grid resolution and gas-phase reaction mechanism on the overall flame solutions were also assessed. Reasonable agreement with experimental measurements was obtained for both flames for predictions of flame height, temperature and soot volume fraction. Overall, the algorithm displayed excellent strong scaling performance by achieving a parallel efficiency of 70% on 384 processors. The proposed algorithm proved to be a robust, highly-scalable solution method for sooting laminar flames.     

Analysis of the spatio-temporal scales of laminar premixed flames near equilibrium

The interplay between chemistry and transport is addressed by exploring the coupling between the spatial and temporal scales of one-dimensional laminar premixed combustion in reactive mixtures described by detailed chemical kinetics and multicomponent transport. System dynamics are investigated in the neighbourhood of the equilibrium state; in so doing, the time scales associated with modes of varying wavelength for the complete unsteady, spatially inhomogeneous system are obtained. The results reveal that short wavelength modes are dominated by diffusion-based time scales, and long wavelength modes are dominated by reaction-based time scales. The analysis further identifies critical wavelengths where the effects of reaction and diffusion are balanced, and it is seen that the critical wavelengths are well estimated by classical diffusion theory.     

Numerical study of the effects of gravity on soot formation in laminar coflow methane/air diffusion flames under different air stream velocities

Numerical simulations of laminar coflow methane/air diffusion flames at atmospheric pressure and different gravity levels were conducted to gain a better understanding of the effects of gravity on soot formation by using relatively detailed gas-phase chemistry and complex thermal and transport properties coupled with a semi-empirical two-equation soot model. Thermal radiation was calculated using the discrete-ordinates method coupled with a non-grey model for the radiative properties of CO, CO₂, H₂O, and soot. Calculations were conducted for three coflow air velocities of 77.6, 30, and 5 cm/s to investigate how the coflowing air velocity affects the flame structure and soot formation at different levels of gravity. The coflow air velocity has a rather significant effect on the streamwise velocity and the fluid parcel residence time, especially at reduced gravity levels. The flame height and the visible flame height in general increase with decreasing the gravity level. The peak flame temperature decreases with decreasing either the coflow air stream velocity or the gravity level. The peak soot volume fraction of the flame at microgravity can either be greater or less than that of its normal gravity counterpart, depending on the coflow air velocity. At sufficiently high coflow air velocity, the peak soot volume fraction increases with decreasing the gravity level. When the coflow air velocity is low enough, soot formation is greatly suppressed at microgravity and extinguishment occurs in the upper portion of the flame with soot emission from the tip of the flame owing to incomplete oxidation. The numerical results provide further insights into the intimate coupling between flame size, residence time, thermal radiation, and soot formation at reduced gravity level. The importance of thermal radiation heat transfer and coflow air velocity to the flame structure and soot formation at microgravity is demonstrated for the first time.     

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.     

Counterflow diffusion flames: effects of thermal expansion and non-unity Lewis numbers

In this work we re-examine the counterflow diffusion flame problem focusing in particular on the flame–flow interactions due to thermal expansion and its influence on various flame properties such as flame location, flame temperature, reactant leakage and extinction conditions. The analysis follows two different procedures: an asymptotic approximation for large activation energy chemical reactions, and a direct numerical approach. The asymptotic treatment follows the general theory of Cheatham and Matalon, which consists of a free-boundary problem with jump conditions across the surface representing the reaction sheet, and is well suited for variable-density flows and for mixtures with non-unity and distinct Lewis numbers for the fuel and oxidiser. Due to density variations, the species and energy transport equations are coupled to the Navier–Stokes equations and the problem does not possess an analytical solution. We thus propose and implement a methodology for solving the free-boundary problem numerically. Results based on the asymptotic approximation are then verified against those obtained from the ‘exact’ numerical integration of the governing equations, comparing predictions of the various flame properties.