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In this study, we apply particle image velocimetry (PIV), hot-wire anemometry (HWA), and large-eddy simulation (LES) to identify and characterize a key mechanism by which high-intensity turbulence measured in the “Hi-Pilot” burner is generated. Large-scale oscillation of the high-velocity jet core about its own mean axial centerline is identified as a dominant feature of the turbulent flow field produced by this piloted Bunsen burner. This oscillation is linked to unsteady flow separation along the expanding section of the reactant nozzle and appears stochastic in nature. It occurs over a range of frequencies (100–300 Hz) well below where the turbulent kinetic energy (TKE) spectrum begins to follow a – 5/3 power law and results in a flow with significant scale separation in the TKE spectrum. Although scale separation and intermittency are not unusual in turbulent flows, this insight should inform analysis and interpretation of previous, and future studies of this unique test case.

A new combustion regime identification methodology using the neural networks as supervised classifiers is proposed and validated. As a first proof of concept, a binary classifier is trained with la...

Despite the extensive studies, accurate and reliable modeling of the soot inception process, especially at high pressure conditions, amenable to multi-dimensional flame simulations remains a challenge. In this study, the physical inception model was comprehensively evaluated in the fully-resolved simulations of laminar normal diffusion flame (NDF) and inverse diffusion flame (IDF) at elevated pressures. The effects of inception models on polycyclic aromatic hydrocarbons (PAHs) and soot predictions were quantitatively analyzed, including the selection of soot precursors and collision efficiency models. The results show that the quantitative PAH predicted by different collision efficiency models can differ by an order of magnitude. Compared to the constant efficiency, the temperature-dependent collision efficiency was found to improve the quantitative PAH predictions and the prediction of the spatial soot distribution in NDF, with an increased level of soot on the flame centerline. The inclusion of small-sized PAH species (such as A₂, A₂R₅, and A₃) as soot precursors was also found to improve the quantitative prediction of soot volume fraction. The physical inception model performs well in NDF using the optimal parameters. Moreover, simultaneous measurements of PAH and soot were performed in IDF configuration for the evaluation of the physical inception model. Contrary to NDF, PAHs and soot are formed on the outer side of the flame and cannot be oxidized in IDF. The experiment observed that the PAHs concentration increased in the post-flame region, while the soot concentration remained unchanged. However, the opposite trend was obtained in simulations, that is, the PAHs concentration decreased while the soot concentration increased, because the physical inception model predicts the inception behavior in the post-flame area, resulting in persistent transformation of PAHs into soot particles. To improve the predictions in IDF, the radical effects in the inception process need to be considered in the model.

A three-dimensional Direct Numerical Simulation (DNS) database of statistically planar $$H_{2} -$$ H 2 - air turbulent premixed flames with an equivalence ratio of 0.7 spanning a large range of Karlovitz number has been utilised to assess the performances of the extrapolation relations, which approximate the stretch rate and curvature dependences of density-weighted displacement speed $$S_{d}^{*}$$ S d ∗ . It has been found that the correlation between $$S_{d}^{*}$$ S d ∗ and curvature remains negative and a significantly non-linear interrelation between $$S_{d}^{*}$$ S d ∗ and stretch rate has been observed for all cases considered here. Thus, an extrapolation relation, which assumes a linear stretch rate dependence of density-weighted displacement speed has been found to be inadequate. However, an alternative extrapolation relation, which assumes a linear curvature dependence of $$S_{d}^{*}$$ S d ∗ but allows for a non-linear stretch rate dependence of $$S_{d}^{*}$$ S d ∗ , has been found to be more successful in capturing local behaviour of the density-weighted displacement speed. The extrapolation relations, which express $$S_{d}^{*}$$ S d ∗ as non-linear functions of either curvature or stretch rate, have been found to capture qualitatively the non-linear curvature and stretch rate dependences of $$S_{d}^{*}$$ S d ∗ more satisfactorily than the linear extrapolation relations. However, the improvement comes at the cost of additional tuning parameter. The Markstein lengths LM for all the extrapolation relations show dependence on the choice of reaction progress variable definition and for some extrapolation relations LM also varies with the value of reaction progress variable. The predictions of an extrapolation relation which involve solving a non-linear equation in terms of stretch rate have been found to be sensitive to the initial guess value, whereas a high order polynomial-based extrapolation relation may lead to overshoots and undershoots. Thus, a recently proposed extrapolation relation based on the analysis of simple chemistry DNS data, which explicitly accounts for the non-linear curvature dependence of the combined reaction and normal diffusion components of $$S_{d}^{*}$$ S d ∗ , has been shown to exhibit promising predictions of $$S_{d}^{*}$$ S d ∗ for all cases considered here.

There currently exist two methods for analysing an explosive mode introduced by chemical kinetics in a reacting process: the Computational Singular Perturbation (CSP) algorithm and the Chemical Explosive Mode Analysis (CEMA). CSP was introduced in 1989 and addressed both dissipative and explosive modes encountered in the multi-scale dynamics that characterize the process, while CEMA was introduced in 2009 and addressed only the explosive modes. It is shown that (i) the algorithmic tools incorporated in CEMA were developed previously on the basis of CSP and (ii) the examination of explosive modes has been the subject of CSP-based works, reported before the introduction of CEMA.

A recent analysis (Lipatnikov et al., 2020) of complex-chemistry direct numerical simulation (DNS) data obtained from lean hydrogen-air flames associated with corrugated-flame (case A), thin-reaction-zone (case B), and broken-reaction-zone (case C) regimes of turbulent burning has shown that the flamelet concept (i) can predict mean concentrations of various species in those flames if the probability density function (PDF) for the fuel-based combustion progress variable c is extracted from the DNS data, but (ii) poorly performs for the mean rate W¯c of product creation. These results suggest applying the concept to evaluation of mean species concentration (but not the mean rate) in combination with another closure relation for W¯c whose predictive capabilities are better. This proposal is developed in the present paper whose focus is placed on studying a new flamelet-based presumed PDF P(c) for predictions of mean concentration of radicals in engineering computational fluid dynamics (CFD) applications. Analysis of the DNS data shows that (i) the flamelet PDF performs well at intermediate values of c in cases A and B, but should be truncated at small and large c, (ii) modeling P(c) in the radical recombination zone (i.e., at large c) is of importance for predicting mean concentrations of H,O, and OH. Accordingly, the flamelet PDF is truncated and combined with a uniform P(c) at large c. Moreover, the mean rate W¯c extracted from the DNS data is used to calibrate the PDF (the rate is considered to be given by another model). Assessment of the approach against the DNS data shows that it well predicts mean density, temperature, and concentrations of reactants, product, and the aforementioned radicals in cases A and B. In case C, the approach performs worse for OandOH at large c¯ and moderately underestimates the mean concentration of H in the entire flame brush.

The exergy loss characteristics of combustion processes under homogeneous-charge compression ignition (HCCI) and stratified-charge compression ignition (SCCI) conditions are numerically investigated by analyzing two-dimensional (2-D) direct numerical simulation (DNS) data. Two fuels, dimethyl ether and ethanol, together with the initial conditions of different mean temperatures, and levels of temperature and concentration fluctuations relevant to HCCI/SCCI conditions were investigated. It is found that the prevalent deflagration mode significantly decreases the maximum exergy loss rates and spreads out the exergy loss rate for all the cases regardless of fuel types, temperature regimes, and temperature and/or concentration fluctuations. The primary irreversible sources of exergy loss are also identified. The chemical reaction is found to be the primary contributor to the total exergy loss, followed by heat conduction and mass diffusion, regardless of the fluctuation levels. It is also found that the relative change of exergy loss due to chemical reactions, EL chemrel , correlates strongly with the heat release fraction by deflagration. The maximum EL chemrel is found to be less than 10%. Chemical pathway analysis reveals that the exergy loss induced by low-temperature reactions, represented by the decomposition of hydroperoxy–alkylperoxy and the H-abstraction reactions of the fuel molecule, is much lower under the SCCI conditions than that under the HCCI conditions. Generally, the dominant reactions contributing to the exergy loss in the high-temperature regime are nearly identical for the HCCI and SCCI combustion. Key reactions, including the H 2 O 2 loop reactions, the reactions of the H 2 –O 2 mechanism, and the conversion reaction of CO to CO 2 , CO + OH = CO 2 + H , are found to contribute more than 50% of the total exergy loss. Due to locally higher reactivities by temperature and concentration fluctuations inducing deflagration dominance, these reactions occur at a relatively higher temperature (1600 K–1900 K) compared with the homogeneous zero-dimensional cases ( ∼ 1400 K), resulting in a net reduction in exergy loss.

The statistics of entrainment velocity, defined as the displacement speed of an enstrophy isosurface, which can be taken to be the interface between turbulent/non-turbulent regions, have been analysed using a Direct Numerical Simulation database of statistically planar H 2 -air flames with a range of different Karlovitz numbers. It has been found that the component of the entrainment velocity arising from molecular dissipation plays a leading order role for all values of Karlovitz number, whereas the relative importance of the baroclinic torque and dilatation rate weakens with increasing Karlovitz number. By contrast, the relative contribution of the entrainment velocity component arising from vortex-stretching strengthens with increasing Karlovitz number K a . The mean entrainment velocity remains positive for the case representing the corrugated flamelets regime (i.e. K a 1 ), whereas it assumes negative values in the cases with large values of Karlovitz number (i.e. K a ≫ 1 ). The magnitude of the ratio of the mean values of entrainment velocity to the mean values of flame displacement speed conditional upon non-dimensional temperature within the flame front remains of the order of unity irrespective of Karlovitz number. However, the probability density functions of entrainment velocity exhibit considerably higher probabilities of finding large magnitudes than in the case of flame displacement speed. The alignments between the normal vector on the enstrophy isosurface and local principal strain rates have been found to be qualitatively similar to the corresponding alignments between flame normal and local principal strain rates, and the same holds true for the distributions of curvature shape factor of reaction progress variable and enstrophy isosurfaces. These findings indicate that the isosurface topologies and the alignments of normal vectors with local principal strain rates for enstrophy and reaction progress variable exhibit qualitatively similar behaviours. Consequently, turbulence and combustion modelling strategies cannot be considered in isolation in premixed turbulent flames.

Two-dimensional direct numerical simulation (DNS) databases of bluff-body-stabilized lean hydrogen flames representative of complicated reactive–diffusive system are analysed using the combined approach of computational singular perturbation (CSP) and tangential stretching rate (TSR) to investigate chemical characteristics in blow-off dynamics. To assess the diagnostic approaches in flame and blow-off dynamics, Damkohler number and TSR variables are applied and compared. Four cases are considered in this study showing different flame dynamics such as the steadily stable mode, local extinction by asymmetric vortex shedding, convective blow-off and lean blow-out. DNS data points in positive explosive eigenvalue conditions were subdivided into four different combinations in TSR and extended TSR space and categorized in four distinct characteristic regions, such as kinetically explosive or dissipative and transport-enhanced or dissipative dynamics. The TSR analysis clearly captures the local extinction point in the complicated vortex shedding and allows an improved understanding of the distinct chemistry-transport interactions occurring in convective blow-off and lean blow-out events.

Due to the accessibility of the planar laser-induced fluorescence technique, images of OH fluorescence intensity are often used to study the structure of turbulent flames. However, there are differences between the measured OH fluorescence intensity and the actual OH mole fraction. These are often neglected because accurate conversion from fluorescence to mole fraction requires the combined knowledge of all major species mole fractions and temperature, which was rarely achieved in 2-D. Here, a new method to convert images of OH fluorescence intensity into OH mole fraction is proposed. This model relies only on inexpensive 1-D laminar flame calculations and does not require information on major species or temperature. The primary assumption behind the applicability of this model is the local approximation of multi-dimensional flames with 1-D counterflow flames. The method utilizes the fact that both OH mole fraction and OH fluorescence intensity profiles are self-similar with pressure and scalar dissipation rate. Only two empirical constants need to be calibrated using 1-D laminar flame calculations. The model was validated using computed 2-D axisymmetric laminar flames and 3-D turbulent flames computed with LES. The accuracy of the conversion model was estimated to about 8% (for Reynolds number up to Re = 66 , 800 ), which includes errors due to the 3-D effects that are not included in this method relying on 2-D images. As a proof of concept, the conversion model was finally applied to one single-shot image of OH fluorescence intensity measured with OH-PLIF for syngas at P = 4 bar and Re = 16 , 700 , demonstrating potential applications of this new method. The method was tested for hydrogen, syngas and methane fuels but, for brevity, only syngas results are reported in detail.

Propagation of a H2-added strained laminar CH4/air flame in a rich-to-lean stratified mixture is numerically studied. The back-support effect, which is known to enhance the consumption speed of a flame propagating into a leaner mixture compared to that into a homogeneous mixture, is evaluated. A new method is devised to characterize unsteady reactant-to-reactant counterflow flames under transiently decreasing equivalence ratio, in order to elucidate the influence of flow strain on the back-support effect. In contrast to the conventional reactant-to-product configurations, the current configuration is more relevant to unsteady stratified flames back-supported by their own combustion products. Moreover, since H2 distribution downstream of the flame is known to play a crucial role in back-supported CH4/air flames, the influence of H2 addition in the upstream mixture is examined. The results suggest that a larger strain rate leads to a larger equivalence ratio gradient at the reaction zone through increased flow divergence, which amplifies the back-support. Meanwhile, since H2 addition in the upstream mixture does not affect the downstream H2 content, the relative increase in the consumption speed, i.e. the back-support, is suppressed with larger H2 addition. Especially, when the upstream H2 content decreases with the equivalence ratio, the H2 preferentially diffuses toward the unburned gas, which mitigates H2 accumulation in the preheat zone and further weakens the back-support.

This work was sponsored by King Abdullah University of Science and Technology and used the resources of the KAUST Supercomputing Laboratory.

International audience; Complex-chemistry direct numerical simulation (DNS) data obtained earlier from lean hydrogen-air flames associated with corrugated flame (case A), thin reaction zone (case B), and broken reaction zone (case C) regimes of turbulent burning are analysed to directly assess capabilities of the flamelet approach to predict mean concentrations of species in a premixed turbulent flame. The approach consists in averaging dependencies of mole fractions, reaction rates, temperature, and density on a single combustion progress variable c, which are all obtained from the unperturbed laminar flame. For this purpose, four alternative definitions of c are probed and two probability density functions (PDFs) are adopted, i.e. either an actual PDF extracted directly from the DNS data or a presumed β-function PDF obtained using the DNS data on the first two moments of the c(x, t)-field. Results show that the mean density and mean mole fractions of H2, O2, and H2O are well predicted using both PDFs for each c, although the predictive capabilities are little worse in case C. In cases A and B, the use of the actual PDF and the fuel-based c also offers an opportunity to well predict mean mole fractions of O and H, whereas the mean mole fraction of OH is slightly underestimated. In the highly turbulent case C, the same approach performs worse, but still appears to be acceptable for evaluating the mean radical concentrations. The use of the β-function PDFs or another combustion progress variable yields substantially worse results for these radicals. When compared to the mean mole fractions, the mean rate of product creation, i.e. the source term in the transport equation for the mean combustion progress variable, is worse predicted even for a quantity (species concentration or temperature) adopted to define c and using the actual PDF. Consequently, turbulent burning velocity is not predicted either.

A ducted fuel injection (DFI) strategy has been proposed as an efficient approach to reduce the soot emission in direct-injection compression ignition engines. By injecting the fuel through a small...

Two-dimensional direct numerical simulations were conducted to investigate the effects of differential diffusion on flame stabilization and blow-off dynamics of lean premixed hydrogen–air and syngas–air flames stabilized on a meso-scale bluff-body in a square channel. The unity Lewis number for all species was imposed to isolate the effects of differential diffusion. Four sets of simulation cases were conducted. Two different inflow temperature with unity Lewis number were applied to examine distinct levels of hydrodynamic instability. Each unity Lewis number case was compared with the non-unity Lewis number case to investigate how differential diffusion affects the overall flame responses, instabilities, and blow-off mechanism. For all cases, the overall flame dynamics were observed in several distinct modes as the inflow velocity approaches blow-off limit. One of the primary effects of unity Lewis number was an increased level of hydrodynamic instability due to the lower flame temperature and thus a lower density ratio. The lower gas temperature also led to a weakening of the re-ignition of the quenched local mixture by the product gas entrainment. The combined effects were manifested as suppression of the re-ignition events, leading to a revised conclusion that the ultimate blow-off behavior at high velocity conditions are mainly controlled by the onset of local extinction.

The effects of turbulence on knock development and intensity for a thermally inhomogeneous stoichiometric ethanol/air mixture at a representative end-gas autoignition condition in internal combustion engines are investigated using direct numerical simulations with a skeletal reaction mechanism. Two- and three-dimensional simulations are performed by varying the most energetic length scale of temperature, $$l_T$$ , and its relative ratio with the most energetic length scale of turbulence, $$l_T/l_e$$ , together with two different levels of the turbulent velocity fluctuation, $$u'$$ . It is found that $$l_T$$ / $$l_e$$ and the ratio of ignition delay time to eddy-turnover time, $$\tau _{ig}/\tau _t$$ , are the key parameters that control the detonation development. An increase in either $$l_T$$ or $$l_e$$ enhances the detonation propensity by allowing a longer run-up distance for the detonation development. The characteristic length scale of the temperature field, $$l_T$$ , is significantly modified by high turbulence intensity achieved by a large $$l_e$$ and $$u'$$ . The intense turbulence mixing effectively distributes the initial temperature field to broader scales to support the developing detonation waves, thereby increasing the likelihood of the detonation formation. On the contrary, high turbulence intensity with a short mixing time scale, achieved by a small $$l_e$$ and a large $$u'$$ , reduces the super-knock intensity attributed to the finer broken-up structures of detonation waves. Either $$\tau _{ig}/\tau _t$$ less than unity or $$l_e = l_T$$ even with a large $$u'$$ is found to have no significant effect on super-knock mitigation. Finally, high turbulent intensity may induce high-pressure spikes comparable to the von Neumann spike. Increased temperature and pressure by combustion heating, noticeably after the peak of heat release rate, significantly enhance the collision and interaction of multiple emerging autoignition fronts near the ending combustion process, resulting in localized high-pressure spikes.

The ignition regime criteria proposed by Im et al. (2015) are extended to account for temperature and concentration fluctuations. The newly-developed criteria are applied to negative temperature coefficient (NTC) and non-NTC fuels. The statistical volume-averaged Sankaran number, S ¯ a , and the volumetric fraction of Sa S ¯ a regardless of the NTC and non-NTC characteristics of fuels over a wide range of initial mean temperatures and different fluctuation levels. Besides, the magnitude of S ¯ a can be used to estimate FSa,S due to its strong correlation with FSa,S. Additionally, the predicted Sa by the theory, Sap, is compared with the statistical mean S ¯ a showing a consistent agreement and they are found to correlate with the combustion intensity that is characterized by the maximum heat release rate. Finally, the ignition delay time can be correlated with Sap for single-stage fuels, and for NTC fuels if the initial mean temperature lies outside the NTC regime.

The response of laminar methane/air counterflow premixed flames under sinusoidal equivalence ratio oscillation was investigated numerically. The timescales of the oscillation were chosen to be sufficiently longer than the flame timescale so that the flame responds quasi-steadily. The response of periodically stratified flame (SF) with a detailed reaction mechanism exhibited the “back-support” effect, in that the consumption speed Sc response deviated increasingly from Sc of steady homogeneous flames (HFs) at higher oscillation frequencies. It was shown that even when the imposed oscillation timescale is much longer than the flame timescale, the flame response can still be delayed under a sufficiently large equivalence ratio gradient. Subsequently, the above results were compared with those obtained with a global four-step mechanism that omits back-diffusion radicals into the reaction zone. As a result, SFs with the global mechanism displayed a much smaller back-support effect in both lean and rich mixtures. Further analysis with modified diffusion coefficients revealed the dominant roles of H2 and radical species diffusion in inducing the back-support effect. Contrary to the previous findings, variations in burned gas temperature were found to play a negligible role in modifying Sc. Additionally, the hysteresis of the back-support effect under periodical stratification was found to be more prominent on the richer side because of the presence of a larger H2 pool.

Front propagation speeds from fully resolved unsteady one dimensional simulations with dimethyl-ether (DME)/methane (CH4)/air mixtures under engine relevant conditions are presented using complex kinetics and transport. Different time-scales of monochromatic inhomogeneities in DME concentration with varying DME/CH4 blending ratios are simulated to unravel the fundamental aspects of auto-ignition and flame propagation under the influence of reactivity stratification. To understand the influence of different stratification time-scales on the flame-ignition interaction, two sets of conditions are simulated such that low temperature chemistry is present in only one of them. For a given amplitude of stratification, it is found that the instantaneous propagation speed is significantly affected by the level of CH4 concentration in the binary fuel blend. Specifically, for cases with low temperature chemistry, at relatively smaller time-scales, the overall fluctuation in the instantaneous propagation speed is found to subside as the level of CH4 concentration in the mixture is increased. However, for both sets of conditions, at comparatively larger time-scales, a rapid change in the instantaneous propagation speed is observed with an increase in the level of CH4 concentration in the mixture. The intrinsic effects of stratification time-scales on the low temperature chemistry and the high temperature chemistry are further examined to assess the flame-ignition interaction. A displacement speed analysis is also carried out to elucidate the underlying combustion modes that are responsible for such a variation in flame response.

Dominant physical processes that characterize the combustion of a lean methane/air mixture, diluted with exhaust gas recirculation (EGR), under turbulent MILD premixed conditions are identified using the combined approach of Computational Singular Perturbation (CSP) and Tangential Stretching Rate (TSR). TSR is a measure to combine the time scale and amplitude of all active modes and serves as a rational metric for the true dynamical characteristics of the system, especially in turbulent reacting flows in which reaction and turbulent transport processes compete. Applied to the MILD conditions where the flame structures exhibit nearly distributed combustion modes, the TSR metric was found to be an excellent diagnostic tool to depict the regions of important activities. In particular, the analysis of turbulent DNS data revealed that the system’s dynamics is mostly dissipative in nature, as the chemically explosive modes are largely suppressed by the dissipative action of transport. On the other hand, the convective transport associated with turbulent eddies play a key role in bringing the explosive nature into the system. In the turbulent MILD conditions under study, the flame structure appears nearly in the distributed combustion regime, such that the conventional statistics conditioned over the progress variable becomes inappropriate, but TSR serves as an automated and systematic way to depict the topology of such complex flames. In addition, further analysis of the CSP modes revealed a strong competition between explosive and dissipative modes, the former favored by hydrogen-related reactions and the convection of CH4, and the latter by carbon-related processes. This competition results in a much smaller region of explosive dynamics in contrast to the widespread existence of explosive modes.

Synergistic octane blending behavior of ethanol with gasoline and its surrogates has been observed by many researchers. The nonlinear octane boosting tendency is observed at mid and high molar blen...

The prospect of blending gasoline fuel with ethanol is being investigated as a potential way to improve the knock residence of the base gasoline. However, one of the drawbacks is a lack of proper understanding of the reason for the non-linear response of blending ethanol and gasoline. This non-linearity could be better understood by an improved knowledge of the interactions of these fuel components at a molecular level. This study proposed a highly reduced four-component (toluene/n-heptane/iso-octane/ethanol) gasoline surrogate model containing 59 species and 270 reactions. The model was reduced using the direct relation graph with expert knowledge (DRG-X) (Lu and Law, 20015; Lu et al., 2011) and isomer lumping method. The computational singular perturbation (CSP) analysis were performed to reduce the potential stiffness issues by accordingly adjusting the Arrhenius coefficients of the proper reactions. The model has been comprehensively validated against wide range of ignition delay times (IDT) and flame speed (FS) measurement data as well as compared against two representative literature models from Liu et al. (2013) and Wang et al. (2015). Overall, good agreements were observed between model predictions and experimental data across the entire research octane number (RON), equivalence ratio, pressure and temperature range. In addition, the model has also been coupled with the computational fluid dynamic (CFD) models to simulate the experimental data of constant volume reacting spray of a low-octane gasoline (Haltermann straight-run naphtha), and in-cylinder pressures and temperatures of a high-octane gasoline (Haltermann Gasoline) combustion in a heavy duty compression ignition engine. The coupled model can qualitatively predict the experimentally obtained data with an improved performance for PRF, TPRF, and TPRF-ethanol surrogates.

The role of the ionic wind effects on modifying flame dynamics was demonstrated by detailed computational models. Full three-dimensional simulations were conducted to reproduce and describe the response of a laminar premixed methane–air Bunsen flame subjected to a transverse DC electric field at saturation condition. The chemical kinetic mechanism employed a methane–air skeletal mechanism with an optimized ionization model to predict the positive and negative ions that are important for generating the electric currents. Given the strong dependence of the ionic wind on the amount of charged species created by chemi-ionization, the ion production rate was optimized to match the measured saturation current. The simulation successfully reproduced the flame tilt toward the cathode. The ionic winds blowing from the flame toward the electrodes in both rightward and leftward directions were also captured. The calculated flow field is qualitatively consistent with the PIV experimental data. Accurate description of the three-body electron attachment to oxygen and the charge transfer reactions generating heavy anions was found to be critical in simulating the flame–electric field interaction. This is a first demonstration of the ionic wind effect by full three-dimensional simulations. Further investigation by both experiment and modeling are required in future work to address quantitative differences.

The statistical behaviour of turbulent scalar flux and modelling of its transport have been analysed for both major reactants and products in the context of Reynolds Averaged Navier Stokes simulations using a detailed chemistry Direct Numerical Simulation (DNS) database of freely-propagating H2 −air flames (with an equivalence ratio of 0.7) spanning the corrugated flamelets, thin reaction zones and broken reaction zones regimes of premixed turbulent combustion. The turbulent scalar flux in the cases representing the corrugated flamelets and thin reaction zones regimes of combustion exhibit predominantly counter-gradient transport, whilst a gradient transport has been observed for the broken reaction zones regime flame considered here. It has been found that the qualitative behaviour of the various terms of the turbulent scalar flux transport equation for the major species such as H2, O2 and H2O in the cases representing the corrugated flamelets and thin reaction zones regimes of combustion are mostly similar, whilst the behaviour is markedly different for the case representing the broken reaction zone regime. However, the terms for the scalar flux transport equation for H2 and O2 show same signs whereas the corresponding terms for H2O show signs opposite to those for H2 and O2. The performances of the well-established existing models for the unclosed terms of the turbulent scalar flux transport equation have been found to be similar for H2, O2 and H2O Some of the existing models for turbulent flux, pressure gradient, molecular diffusion and reaction contributions have been found to yield reasonable performance for the cases representing the corrugated flamelets and thin reaction zones regimes but the existing closures for these terms have been found to be mostly inadequate for the broken reaction zones regime flames.

Direct numerical simulations were conducted to investigate the effect of two parameters, density ratio and laminar flame speed, on the conditions of the onset of local extinction and blow-off of lean premixed flames, stabilized on a meso-scale bluff-body in hydrogen-air and syngas–air mixtures. A total of six simulation cases were considered as isolated comparison of the two parametric effects of the fluid dynamic instability and flame time scale. For all cases under study, the general flame development towards the blow-off limit showed a sequence of five distinct modes, with possible cyclic patterns among the different modes for a range of velocity conditions. The onset of local extinction was observed during the asymmetric vortex shedding and vortex street mode. As the density ratio is decreased, the flow inunder reviewstability is promoted through the increased sinuous mode, and such behavior was properly scaled by the Strouhal number. Although the blow-off velocity is altered by the fluid dynamic effects, the condition for the onset of local extinction and blow-off was mainly dictated by the competition between flow residence time associated with the lateral flame motion and ignition delay of the local mixtures. Time scale analysis supported the validity of the findings across all the cases investigated.

The simulation of turbulent sooting flames requires a host of models, of which the two critical components are the chemical kinetics that describe soot precursor evolution and the description of the soot population. The purpose of this study is to understand the sensitivity of soot predictions in a realistic aircraft combustor to model choices for these components. Two different chemistry mechanisms, three different statistical approaches, and two different soot inception models are considered. The simulations show that acetylene-based soot inception produces very high soot volume fraction, with the soot particles present predominantly in the inner recirculation zone of the swirl-stabilized combustor. The PAH-based nucleation models lead to soot generation in the shear layers emanating from fuel injection. The two advanced statistical approaches (Hybrid and Conditional Quadrature Method of Moments) also show significant differences. While the Hybrid method produces lower soot number density, it also generates larger soot particles due to a faster predicted rate of coagulation. The Conditional Quadrature approach produces much higher soot number density, but its particle sizes are smaller compared to the Hybrid method for all kinetic mechanisms considered. This experimental combustor is strongly dominated by surface growth based soot mass addition. As a result, even if nucleation/condensation rates are different, the final soot mass yield is comparable for PAH-based soot models. These results indicate the importance of not only the chemical mechanism, which may be less important in this surface growth dominated combustor, but also the soot statistical model, to which coagulation and the soot surface area are relatively sensitive.

Multi-stage heat release is an important feature of hydrocarbon auto-ignition that influences engine operation. This work presents findings of previously unreported three-stage heat release in the auto-ignition of n-heptane/air mixtures at lean equivalence ratios and high pressures. Detailed homogenous gas-phase chemical kinetic simulations were utilized to identify conditions where two-stage and three-stage heat release exist. Temperature and heat release profiles of lean n-heptane/air auto-ignition display three distinct stages of heat release, which is notably different than two-stage heat release typically reported for stoichiometric fuel/air mixtures. Concentration profiles of key radicals (HO2 and OH) and intermediate/product species (CO and CO2) also display unique behavior in the lean auto-ignition case. Rapid compression machine measurements were performed at a lean equivalence ratio to confirm the existence of three-stage heat release in experiments. Laser diagnostic measurements of CO concentrations in the RCM indicate similar concentration-time profiles as those predicted by kinetic modeling. Computational singular perturbation was then used to identify key reactions and species contributing to explosive time scales at various points of the three-stage ignition process. Comparisons with two-stage ignition at stoichiometric conditions indicate that thermal runaway at the second stage of heat release is inhibited under lean conditions. H + O2 chain branching and CO oxidation reactions drive high-temperature heat release under stoichiometric conditions, but these reactions are suppressed by H, OH, and HO2 radical termination reactions at lean conditions, leading to a distinct third stage of heat release.