Nonane droplet combustion with and without buoyant convection: Flame structure, burning rate and extinction in air and helium

The burning and extinction characteristics of isolated small nonane droplets are examined in a buoyant convective environment and in an environment with no external axial convection (as created by doing experiments at low gravity) to promote spherical droplet flames. The ambience is air and a mixture of 30%O₂/70%He to assess the influence of soot formation. The initial droplet diameter (D_o) ranges from 0.4 to 0.95 mm. Measurements are reported of the extinction diameter and time to extinction, and of the evolution of droplet diameter, flame diameter, soot shell diameter, burning rate, and broadband radiative emissions.In a buoyancy-free environment for air larger droplets burn slower than smaller droplets for the range of D_o examined, which is attributed to the influence of soot. In the presence of a buoyant flow in air, no influence of D_o is observed on the burning rate while the buoyant flames are still heavily sooting. The effect of D_o is believed to be due to a combination of dominance of the nonluminous, nonsooting, portion of the buoyant flame around the forward half of the droplet on heat transport and the secondary role of the luminous wake portion of the flame. In a non-sooting helium inert at low gravity, no effect of D_o is found on the evolution of droplet diameter.Flame extinction is observed only in the 30%O₂/70%He ambience. For all of the observations, extinction appears to occur before the disappearance of the droplet which is then followed by a period of evaporation. The extinction diameter and time to extinction increases with D_o and an empirical correlation is presented for these two variables.     

The role of cool-flame chemistry in quasi-steady combustion and extinction of n-heptane droplets

Experiments on the combustion of large n-heptane droplets, performed by the National Aeronautics and Space Administration in the International Space Station, revealed a second stage of continued quasi-steady burning, supported by low-temperature chemistry, that follows radiative extinction of the first stage of burning, which is supported by normal hot-flame chemistry. The second stage of combustion experienced diffusive extinction, after which a large vapour cloud was observed to form around the droplet. In the present work, a 770-step reduced chemical-kinetic mechanism and a new 62-step skeletal chemical-kinetic mechanism, developed as an extension of an earlier 56-step mechanism, are employed to calculate the droplet burning rates, flame structures, and extinction diameters for this cool-flame regime. The calculations are performed for quasi-steady burning with the mixture fraction as the independent variable, which is then related to the physical variables of droplet combustion. The predictions with the new mechanism, which agree well with measured autoignition times, reveal that, in decreasing order of abundance, H₂O, CO, H₂O₂, CH₂O, and C₂H₄ are the principal reaction products during the low-temperature stage and that, during this stage, there is substantial leakage of n-heptane and O₂ through the flame, and very little production of CO₂ with no soot in the mechanism. The fuel leakage has been suggested to be the source of the observed vapour cloud that forms after flame extinction. While the new skeletal chemical-kinetic mechanism facilitates understanding of the chemical kinetics and predicts ignition times well, its predicted droplet diameters at extinction are appreciably larger than observed experimentally, but predictions with the 770-step reduced chemical-kinetic mechanism are in reasonably good agreement with experiment. The computations show how the key ketohydroperoxide compounds control the diffusion-flame structure and its extinction.     

Experimental and numerical investigation of ester droplet combustion: Application to butyl acetate

This paper presents an experimental and numerical study of the combustion of isolated n‑butyl acetate droplets in the standard atmosphere. Numerical simulations are reported using a model that incorporates unsteady gas and liquid transport, variable properties, and radiation. Three skeletal mechanisms of n‑butyl acetate, derived from a large detailed mechanism comprised of 819 species and 52,698 reactions, were used in the numerical simulations to evaluate the influence of the kinetic mechanism on burning. The reduced mechanisms comprised 212 species and 5413 reactions, 157 species and 3089 reactions, and 105 species and 1035 reactions. The numerical model did not include soot formation, though qualitatively mild sooting was noted only for droplets larger than 0.7 mm. The numerical predictions were in good agreement with experimental measurements of droplet and flame diameters. Flame extinction was numerically predicted which was attributed to a decrease of the characteristic diffusion time relative to the chemical time as droplet burned. Effects of initial droplet diameter on the evolution of maximum gas temperature (T_max) and peak mole fractions of CO₂ and CO are also examined numerically.     

Experimental study of the effect of helium/nitrogen concentration and initial droplet diameter on nonane droplet combustion with minimal convection

In this paper, we study the influence of inert concentration and initial droplet diameter on nonane (C₉H₂₀) droplet combustion in an environment that promotes spherical droplet flames. The oxygen concentration is fixed while the inert is varied between nitrogen and helium. A range of initial droplet diameters (D_o) are examined in each ambient gas: 0.4 mm < D_o < 0.8 mm; and an oxidizing ambiance consisting of 30% oxygen (fixed) and 70% inert (fixed), with the inert in turn composed of mixtures of nitrogen and helium in concentrations of 0, 25, 50, 75, and 100% N₂. The experiments are carried out at normal atmospheric pressure in a cold ambiance (room temperature) under low gravity to minimize the influence of convection and promote spherical droplet flames. For burning within a helium inert (0% N₂), the droplet flames are entirely blue and there is no influence of initial droplet diameter on the local burning rate (K). With increasing dilution by nitrogen, droplet flames show significant yellow luminosity indicating the presence of soot and the individual burning histories show K reducing with increasing D_o. The evolution of droplet diameter D(t) is nonlinear for a given D_o in the presence of either helium or nitrogen inerts indicating that soot formation has little to do with nonlinear burning. A correlation is presented of the data in the form where the effective burning rate, K′, and ε are concentration-dependent. Correlations for these parameters are presented in the paper.     

Oscillatory cool flame combustion behavior of submillimeter sized n-alkane droplet under near limit conditions

This paper reports simulation results of oscillatory cool flame burning of an isolated, submillimeter sized n-heptane (n-C₇H₁₆) droplet in a selectively ozone (O₃) seeded nitrogen-oxygen (N₂-O₂) environments at atmospheric pressure. An evolutionary one-dimensional droplet combustion code encompassing relevant physics and detailed chemistry was employed to explore the roles of low-temperature chemistry, O₃ seeding, and dynamic flame structure on burning behaviors. For X_O2= 21% and a range of selective ozone seeding, near-quasi-steady cool flame burning is achieved directly (without requiring hot flame initiation and radiative extinction). Under low oxygen index conditions, but with significant O₃ seeding (X_O3 = 5%), a nearly quasi-steady cool flame is initially established that then transitions to a dynamically oscillating cool flame burning mode which continues until the droplet is completely consumed. It is found that the oscillation occurs as result of a initial depletion of fuel vapor-oxidizer layer evolving near the droplet surface and its dynamic re-establishment through liquid vaporization and vapor/oxidizer transport. A kinetic analysis indicates that the dynamic competition between the reaction classes- (a) degenerate chain branching and (b) chain termination/propagation - along with continuous fuel and oxygen leakage through the flame location contributes to an oscillatory burning phenomena of ever-increasing amplitude. Analysis based on single full-cycle of oscillatory burning shows that the reaction progression matrices (evolution of heat and species) for QOOH➔chain propagation/termination reactions (here, Q = C₇H₁₄-) directly scales with the gas phase temperature field. On the contrary, the QOOH➔degenerate branching reactions undergoes three distinct stages within the same oscillatory cycle. The coupled flame dynamics and kinetics suggest that in the oscillatory burning mode, kinetic processes dynamically cross through conditions characterizing the negative temperature coefficient (NTC) turnover temperature, separating low temperature and NTC kinetic regimes. In addition, a parametric study is conducted to determine the role of O₃ seeding level on the observed oscillation phenomena.     

Identification of droplet burning modes in lean, partially prevaporized swirl-stabilized spray flames

Experimental and numerical investigations of single droplet burning modes in a lean, partially prevaporized swirl-stabilized spray flame are reported. In the experiment single droplet flames have been visualized by CH-PLIF and simultaneous recording of the Mie signal. Two single droplet burning modes were identified: the envelope flame is a spherical diffusion flame burning at near-stoichiometric conditions. The wake flame is a potentially lean, partially premixed flame located downstream of the droplet. The droplet burning mode is of practical relevance, since it has significant impact on NO formation due to incomplete prevaporization.The droplet burning mode is determined by the ratio of chemical and convective time scales. The convective time scale is related to the droplet slip velocity. The impact of turbulent gas phase velocity fluctuations on droplet mechanics and droplet burning is discussed, based on a previous numerical investigation. In the present study the droplet slip velocity was measured with the 3D Phase Doppler (3D-PD) technique. For the measured slip velocities and ambient conditions in the hot gas region of the spray flame, simulations of single droplet burning were performed utilizing detailed models for chemical reaction, diffusive transport and vaporization. An agreement between the droplet burning modes predicted by the simulation and the droplet burning modes observed in the experiments was found.     

A study of ignition and combustion of liquid hydrocarbon droplets in premixed fuel/air mixtures in a rapid compression machine

The combustion of two fuels with disparate reactivity such as natural gas and diesel in internal combustion engines has been demonstrated as a means to increase efficiency, reduce fuel costs and reduce pollutant formation in comparison to traditional diesel or spark-ignited engines. However, dual fuel engines are constrained by the onset of uncontrolled fast combustion (i.e., engine knock) as well as incomplete combustion, which can result in high unburned hydrocarbon emissions. To study the fundamental combustion processes of ignition and flame propagation in dual fuel engines, a new method has been developed to inject single isolated liquid hydrocarbon droplets into premixed methane/air mixtures at elevated temperatures and pressures. An opposed-piston rapid compression machine was used in combination with a newly developed piezoelectric droplet injection system that is capable of injecting single liquid hydrocarbon droplets along the stagnation plane of the combustion chamber. A high-speed Schlieren optical system was used for imaging the combustion process in the chamber. Experiments were conducted by injecting diesel droplet of various diameters (50 µm < d_o < 400 µm), into methane/air mixtures with varying equivalence ratios (0 < ϕ < 1.2) over a range of compressed temperatures (700 K < T_c < 940 K). Multiple autoignition modes was observed in the vicinity of the liquid droplets, which were followed by transition to propagating premixed flames. A computational model was developed with CONVERGE™, which uses a 141 species dual-fuel chemical kinetic mechanism for the gas phase along with a transient, analytical droplet evaporation model to define the boundary conditions at the droplet surface. The simulations capture each of the different ignition modes in the vicinity of the injected spherical diesel droplet, along with bifurcation of the ignition event into a propagating, premixed methane/air flame and a stationary diesel/air diffusion flame.     

Microgravity droplet combustion: effect of tethering fiber on burning rate and flame structure

Droplets tethering on fibers has become a well established technique for conducting droplet combustion experiments in microgravity conditions. The effects of these supporting fibers are frequently assumed to be negligible and are not considered in the experimental analysis or in numerical simulations. In this work, the effect of supporting fibers on the characteristics of microgravity droplet combustion has been investigated numerically; a priori predictions have then been compared with published experimental data. The simulations were conducted using a transient one-dimensional spherosymmetric droplet combustion model, where the effect of the supporting fiber was implicitly taken into account. The model applied staggered convective flux finite volume method combined with high-order implicit time integration. Thermal radiation was evaluated using a statistical narrow band radiation model. Chemical kinetics and thermophysical properties were represented in rigorous detail. Tether fiber diameter, droplet diameter, ambient pressure and oxygen concentration were varied over a range for n-decane droplets in the simulations. The results of the simulations were compared to previously published experiments conducted in the Japan Microgravity Center (JAMIC) 10 second drop tower and the NASA Glenn Research Center (GRC) 5.2 second drop tower. The model reproduces closely nearly all aspects of tethered n-decane droplet burning phenomena, which included droplet burning history, transient and average burning rate, and flame standoff ratio. The predictions show that the presence of the tethering fiber significantly influences the observed burning rate, standoff ratio, and extinction.     

Microgravity experiments of single droplet combustion in oscillatory flow at elevated pressure

An experimental study for 1-butanol single droplet flames in constant and oscillatory flow fields was conducted under microgravity conditions at elevated pressure. In the constant flow experiments, flow velocities from 0 to 40 cm/s were tested. Using obtained data of d², the burning rate constants were evaluated. The burning rate constant in the quiescent condition was also calculated successfully at high pressure by the extrapolation method based on the Frössling relation. In the oscillatory flow experiments, the flow velocities were varied from 0 to 40 cm/s at the frequencies of 2–40 Hz. Results showed that the burning rate constant during the droplet lifetime varied following the quasi-steady relation at 0.1 MPa; however, in the conditions with higher frequencies at 0.4 MPa, the average burning velocity became larger than that for the constant flow case with the velocity equivalent to the maximum velocity in the oscillatory flow. Under the condition where the burning rate constant increased, it was observed that the flame did not sufficiently move back upstream, leading to enhancement of the heat transfer from the flame to the droplet surface. Therefore, the instantaneous burning rate constant increased. To investigate the mechanism of such flame behavior, the ratio of two characteristic times, τ_f/τ_D (τ_f: flow oscillation characteristic time, τ_D: diffusion characteristic time), were compared. As the flow oscillatory frequency increased, τ_f/τ_D becomes smaller. τ_f/τ_D also became smaller at high pressure. If τ_f/τ_D is small due to the small mass diffusion rate, the droplet flame could not move back to the appropriate position for the minimum velocity in steady flow, leading to an increase of the burning rate constant, especially in the case of higher frequency at high pressure.     

Peculiarities of aluminum particle combustion in steam

This work experimentally addresses aluminum combustion in steam, pure or mixed with diluents, for aluminum particles in size range 40∼80 µm, using an electrodynamic levitator. High-speed videos unveil an unreported and complex mechanism in steam, not observed in other oxidizers. The detached flame is quite faint and very close to the surface. Alumina smoke around the droplet rapidly condenses and coalesces into a large, single orbiting alumina satellite. It eventually collides the main aluminum droplet while generating secondary alumina droplets. A unique feature is the presence of several distinct oxide lobes on the droplet, which merge only at the end of burning and encapsulate the remaining aluminum, possibly promoting an incomplete combustion. The measured burning times in pure water vapor are longer than expected and the efficiency of steam is found to be 30% that of oxygen, lower than the usually accepted value of 60%. A general correlation on burning time, including the major oxidizers, is proposed. Direct numerical simulations are conducted and are in line with experiments, in terms of burning rate or flame stand off ratio. Combustion in steam seems mostly supported by surface reactions, giving a faint flame with low gas temperatures and high hydrogen content. It is speculated that those two specific features could help explain the peculiarity of steam.     

Combustion characteristics and liquid-phase visualisation of single isolated diesel droplet with surface contaminated by soot particles

The combustion generated soot contamination effect on a single diesel droplet ignition and burning was investigated experimentally for the first time. Diesel droplet flame was used to contaminate the droplet to be investigated prior to ignition. Distinct differences in lifetime and stability of the burning of the neat and contaminated droplet samples were observed in their heating, boiling and disruptive phases. For a soot-contaminated droplet surface, the evaporation rate became weaker as a result of slower mass transfer thus contracted the flame formation. Contrary to the burning rate enhancement of droplet with stable and uniform suspension of particles observed by other researchers, the slightest contamination of soot particles in a fuel droplet surface can significantly reduce the burning rate. Denser agglomeration of soot can form a shell on the droplet surface which blocks the flow of gas escaping through the surface thus distort the droplet even further. At late combustion stage, bubbles are observed to rapture on the surface of the soot-contaminated droplet. Strong ejections of volatile liquid and vapour that would explode shortly after parting from the droplet are observed. It seems that the explosion and burning of ejected mixture have little interactions with the enveloped flame surrounding the primary droplet. Enhanced visualisation of droplet liquid-phase has clearly indicated the cause of declining trend in the burning rate and flame stand-off ratio of soot-contaminated diesel droplet. These insights are of significance for understanding the effect of fuel droplet contamination by combustion generated soot particles.     

An analytical study of droplet combustion under microgravity: Quasi-steady transient approach

An analytical model based on an assumption of combined quasi-steady and transient behavior of the process is presented to exemplify the unsteady, sphero-symmetric single droplet combustion under microgravity. The model used in the present study includes an alternative approach of describing the droplet combustion as a process where the diffusion of fuel vapor residing inside the region between the droplet surface and the flame interface experiences quasi-steadiness while the diffusion of oxidizer inside the region between the flame interface and the ambient surrounding experiences unsteadiness. The modeling approach especially focuses on predicting; the variations of droplet and flame diameters with burning time, the effect of vaporization enthalpy on burning behavior, the average burning rates and the effect of change in ambient oxygen concentration on flame structure. The modeling results are compared with a wide range of experimental data available in the literature. It is shown that this simplified quasi-steady transient approach towards droplet combustion yields behavior similar to the classical droplet theory.     

Influence of water mist on propagation and suppression of laminar premixed flame

The combustion of premixed gas mixtures containing micro droplets of water was studied using one-dimensional approximation. The dependencies of the burning velocity and flammability limits on the initial conditions and on the properties of liquid droplets were analyzed. Effects of droplet size and concentration of added liquid were studied. It was demonstrated that the droplets with smaller diameters are more effective in reducing the flame velocity. For droplets vaporizing in the reaction zone, the burning velocity is independent of droplet size, and it depends only on the concentration of added liquid. With further increase of the droplet diameter the droplets are passing through the reaction zone with completion of vaporization in the combustion products. It was demonstrated that for droplets above a certain size there are two stable stationary modes of flame propagation with transition of hysteresis type. The critical conditions of the transition are due to the appearance of the temperature maximum at the flame front and the temperature gradient with heat losses from the reaction zone to the products, as a result of droplet vaporization passing through the reaction zone. The critical conditions are similar to the critical conditions of the classical flammability limits of flame with the thermal mechanism of flame propagation. The maximum decrease in the burning velocity and decrease in the combustion temperature at the critical turning point corresponds to predictions of the classical theories of flammability limits of Zel'dovich and Spalding. The stability analysis of stationary modes of flame propagation in the presence of water mist showed the lack of oscillatory processes in the frames of the assumed model.     

Investigation of droplet combustion in strained counterflow diffusion flames using planar laser-induced fluorescence

Experimental investigation of an isolated droplet burning in a convective flow is reported. Acetone droplets were injected in a steady laminar diffusion counterflow flame operating with methane. Planar laser-induced fluorescence measurements applied to OH radical and acetone was used to measure the spatial distribution of fuel vapour and the structure of the flame front around the droplet. High-magnification optics was used in order to image flow areas with a ratio of 1:1.2. The different combustion regimes of an isolated droplet could be observed from the configuration of the envelope flame to that of the boundary-layer flame, and occurrence of these regimes was found to depend on the droplet Reynolds number. Experimental results were compared with 1D numerical simulations using detailed chemistry for the configuration of the envelope flame. Good agreement was obtained for the radial profile of both OH radical and fuel vapour. Influence of droplet dynamics on the counterflow flame front was also investigated. Results show that the flame front could be strongly distorted by the droplet crossing. In particular, droplets with high velocity led to local extinction of the flame front whereas droplets with low velocity could ignite within the flame front and burn on the oxidiser side. PACS 33.50.-j; 42.62.-b; 47.55.D-; 47.70.Pq; 47.80.Jk     

Development and validation of an n-dodecane skeletal mechanism for spray combustion applications

n-Dodecane is a promising surrogate fuel for diesel engine study because its physicochemical properties are similar to those of the practical diesel fuels. In the present study, a skeletal mechanism for n-dodecane with 105 species and 420 reactions was developed for spray combustion simulations. The reduction starts from the most recent detailed mechanism for n-alkanes consisting of 2755 species and 11,173 reactions developed by the Lawrence Livermore National Laboratory. An algorithm combining direct relation graph with expert knowledge (DRGX) and sensitivity analysis was employed for the present skeletal reduction. The skeletal mechanism was first extensively validated in 0-D and 1-D combustion systems, including auto-ignition, jet stirred reactor (JSR), laminar premixed flame and counter flow diffusion flame. Then it was coupled with well-established spray models and further validated in 3-D turbulent spray combustion simulations under engine-like conditions. These simulations were compared with the recent experiments with n-dodecane as a surrogate for diesel fuels. It can be seen that combustion characteristics such as ignition delay and flame lift-off length were well captured by the skeletal mechanism, particularly under conditions with high ambient temperatures. Simulations also captured the transient flame development phenomenon fairly well. The results further show that ignition delay may not be the only factor controlling the stabilisation of the present flames since a good match in ignition delay does not necessarily result in improved flame lift-off length prediction.     

A surrogate fuel for kerosene

Experimental and numerical studies are carried out to develop a surrogate that can reproduce selected aspects of combustion of kerosene. Jet fuels, in particular Jet-A1, Jet-A, and JP-8 are kerosene type fuels. Surrogate fuels are defined as mixtures of few hydrocarbon compounds with combustion characteristics similar to those of commercial fuels. A mixture of n-decane 80% and 1,2,4-trimethylbenzene 20% by weight, called the Aachen surrogate, is selected for consideration as a possible surrogate of kerosene. Experiments are carried out employing the counterflow configuration. The fuels tested are kerosene and the Aachen surrogate. Critical conditions of extinction, autoignition, and volume fraction of soot measured in laminar non premixed flows burning the Aachen surrogate are found to be similar to those in flames burning kerosene.A chemical-kinetic mechanism is developed to describe the combustion of the Aachen surrogate. This mechanism is assembled using previously developed chemical-kinetic mechanisms for the components: n-decane and 1,2,4-trimethylbenzene. Improvements are made to the previously developed chemical-kinetic mechanism for n-decane. The combined mechanisms are validated using experimental data obtained from shock tubes, rapid compression machines, jet stirred reactor, burner stabilized premixed flames, and a freely propagating premixed flame. Numerical calculations are performed using the chemical-kinetic mechanism for the Aachen surrogate. The calculated values of the critical conditions of autoignition and soot volume fraction agree well with experimental data. The present study shows that the chemical-kinetic mechanism for the Aachen surrogate can be employed to predict non premixed combustion of kerosene.     

Effects of radiation heat loss on laminar premixed ammonia/air flames

Ammonia (NH₃) direct combustion is attracting attention for energy utilization without CO₂ emissions, but fundamental knowledge related to ammonia combustion is still insufficient. This study was designed to examine effects of radiation heat loss on laminar ammonia/air premixed flames because of their very low flame speeds. After numerical simulations for 1-D planar flames with and without radiation heat loss modeled by the optically thin model were conducted, effects of radiation heat loss on flame speeds, flame structure and emissions were investigated. Simulations were also conducted for methane/air mixtures as a reference. Effects of radiation heat loss on flame speeds were strong only near the flammability limits for methane, but were strong over widely diverse equivalence ratios for ammonia. The lower radiative flame temperature suppressed the thermal decomposition of unburned ammonia to hydrogen (H₂) at rich conditions. The equivalence ratio for a low emission window of ammonia and nitric oxide (NO) in the radiative condition shifted to a lower value than that in the adiabatic condition.     

A hybrid droplet vaporization-chemical surrogate approach for emulating vaporization,physical properties,and chemical combustion behavior of multicomponent fuels

The complex nature of multicomponent aviation fuels presents a daunting task for accurately simulating combustion behavior without incurring impractical computational costs. To reduce computation time, chemical fuel surrogates comprised of only a few species are used to emulate the combustion of complex pre-vaporized fuels. These surrogates are often unable to match the vaporization behavior and physical properties of the real fuel and fail to capture the effect of preferential vaporization on combustion behavior. Therefore, a computationally efficient, hybrid droplet vaporization-chemical surrogate approach has been developed which emulates both the physical and chemical properties of a multicomponent kerosene fuel. The droplet vaporization/physical portion of the hybrid uses the Coupled Algebraic–Direct Quadrature Method of Moments with delumping to accurately solve for the evolution of every discrete species in a vaporizing fuel droplet with the computational efficiency of a continuous thermodynamic model. The chemical surrogate portion of the hybrid is linked to the vaporization model using a functional group matching method, which creates an instantaneous surrogate composition to match the distribution of chemical functional groups (CH₂, (CH₂)_n, CH₃ and Benzyl-type) in the vaporization flux of the full fuel. The result is a hybrid method which can accurately and efficiently predict time-dependent, distillation-resolved combustion property targets of the vaporizing fuel and can be used to investigate the effects of preferential vaporization on combustion behavior.