Experimental and kinetic modeling study of combustion of JP-8, its surrogates and reference components in laminar nonpremixed flows

Experimental and numerical studies are carried out to construct reliable surrogates that can reproduce aspects of combustion of JP-8 and Jet-A. Surrogate fuels are defined as mixtures of few hydrocarbon compounds with combustion characteristics similar to those of commercial fuels. The combustion characteristics considered here are extinction and autoignition in laminar non premixed flows. The “reference” fuels used as components for the surrogates of jet fuels are n-decane, n-dodecane, methylcyclohexane, toluene, and o-xylene. Three surrogates are constructed by mixing these components in proportions to their chemical types found in jet fuels. Experiments are conducted in the counterflow system. The fuels tested are the components of the surrogates, the surrogates, and the jet fuels. A fuel stream made up of a mixture of fuel vapors and nitrogen is injected into a mixing layer from one duct of a counterflow burner. Air is injected from the other duct into the same mixing layer. The strain rate at extinction is measured as a function of the mass fraction of fuel in the fuel stream. The temperature of the air at autoignition is measured as a function of the strain rate at a fixed value of the mass fraction of fuel in the fuel stream. The measured values of the critical conditions of extinction and autoignition for the surrogates show that they are slightly more reactive than the jet fuels. Numerical calculations are carried out using a semi-detailed chemical-kinetic mechanism. The calculated values of the critical conditions of extinction and autoignition for the reference fuels and for the surrogates are found to agree well with experimental data. Sensitivity analysis is used to highlight key elementary reactions that influence the critical conditions of autoignition of an alkane fuel and an aromatic fuel.     

Experimental and kinetic modeling study of combustion of gasoline, its surrogates and components in laminar non-premixed flows

Experimental and numerical studies are carried out to construct surrogates that can reproduce selected aspects of combustion of gasoline in non premixed flows. Experiments are carried out employing the counterflow configuration. Critical conditions of extinction and autoignition are measured. The fuels tested are n-heptane, iso-octane, methylcyclohexane, toluene, three surrogates made up of these components, called surrogate A, surrogate B, and surrogate C, two commercial gasoline with octane numbers (ON) of 87 and 91, and two mixtures of the primary reference fuels, n-heptane and iso-octane, called PRF 87 and PRF 91. The combustion characteristics of the commercial gasolines, ON 87 and ON 91, are found to be nearly the same. Surrogate A and surrogate C are found to reproduce critical conditions of extinction and autoignition of gasoline: surrogate C is slightly better than surrogate A. Numerical calculations are carried out using a semi-detailed chemical-kinetic mechanism. The calculated values of the critical conditions of extinction and autoignition of the components of the surrogates agree well with experimental data. The octane numbers of the mixtures PRF 87 and PRF 91 are the same as those for the gasoline tested here. Experimental and numerical studies show that the critical conditions of extinction and autoignition for these fuels are not the same as those for gasoline. This confirms the need to include at least aromatic compounds in the surrogate mixtures. The present study shows that the semi-detailed chemical-kinetic mechanism developed here is able to predict key aspects of combustion of gasoline in non premixed flows, although further kinetic work is needed to improve the combustion chemistry of aromatic species, in particular toluene.     

Experimental comparison of soot formation in turbulent flames of Diesel and surrogate Diesel fuels

Soot formation is compared in turbulent diffusion flames burning a commercial Diesel and two Diesel surrogates containing n-decane and α-methylnaphthalene. A burner equipped with a high-efficiency atomisation system has been specially designed and allows the stabilisation of liquid fuels flames with similar hydrodynamics conditions. The initial surrogate composition (70% n-decane, 30% α-methylnaphthalene) was previously used in the literature to simulate combustion in Diesel engines. In this work, a direct comparison of Diesel and surrogates soot tendencies is undertaken and relies on soot and fluorescent species mappings obtained respectively by Laser-Induced Incandescence (LII) at 1064 nm and Laser-Induced Fluorescence at 532 nm. LIF was assigned to soot precursors and mainly to high-number ring Polycyclic Aromatic Hydrocarbons (PAH). The initial surrogate was found to form 40% more soot than the tested Diesel. Consequently, a second surrogate containing a lower α-methylnaphthalene concentration (20%) has been formulated. That composition which presents a Threshold Soot Index (TSI) very close to Diesel one is also consistent with our Diesel composition that indicates a relatively low PAH content. The spatially resolved measurements of soot and fluorescent soot precursors are quite identical (in shape and intensity) in the Diesel and in the second surrogate flames. Furthermore the concordance of the LII temporal decays suggests that a similar growth of the primary soot particles has occurred for Diesel and surrogates. In addition, the comparison of the LII fluence curves indicates that physical/optical properties of soot contained in the different flames might be similar. The chemical composition present at the surface of soot particles collected in Diesel and surrogate flames has been obtained by laser-desorption ionisation time-of-flight mass spectrometry. An important difference is found between Diesel and surrogate samples indicating the influence of the fuel composition on soot content.     

Experimental and kinetic modeling study of combustion of JP-8, its surrogates and components in laminar premixed flows

Experimental and kinetic modeling studies are carried out to characterize premixed combustion of jet fuels, their surrogates, and reference components in laminar nonuniform flows. In previous studies, it was established that the Aachen surrogate made up of 80 % n-decane and 20 % trimethylbenzene by weight, and surrogate C made up of 57 % n-dodecane, 21 % methylcyclohexane and 22 % o-xylene by weight, reproduce key aspects of combustion of jet fuels in laminar nonpremixed flows. Here, these surrogates and a jet fuel are tested in premixed, nonuniform flows. The counterflow configuration is employed, and critical conditions of extinction are measured. In addition, the reference components tested are n-heptane, n-decane, n-dodecane, methylcyclohexane, trimethylbenzene, and o-xylene. Measured critical conditions of extinction of the Aachen surrogate and surrogate C are compared with those for the jet fuel. In general the alkanes n-heptane, n-decane, and n-dodecane, and methylcyclohexane are found to be more reactive than the aromatics o-xylene and trimethylbenzene. Flame structure and critical conditions of extinction are predicted for the reference components and the surrogates using a semi-detailed kinetic model. The predicted values are compared with experimental data. Sensitivity analysis shows that the lower reactivity of the aromatic species arises from the formation of resonantly stabilized radicals. These radicals are found to have a scavenging effect. The present study on premixed flows together with previous studies on nonpremixed flows show that the Aachen surrogate and surrogate C reproduce many aspects of premixed and nonpremixed combustion of jet fuels.     

Autoignition of surrogate fuels at elevated temperatures and pressures

Autoignition of Jet-A and mixtures of benzene, hexane, and decane in air has been studied using a heated shock tube at mean post-shock pressures of 8.5 ± 1 atm within the temperature range of 1000–1700 K with the objective of identifying surrogate fuels for aviation kerosene. The influence of each component on ignition delay time and on critical conditions required for strong ignition of the mixture has been deduced from experimental observations. Correlation equation for Jet-A ignition times has been derived from the measurements. It is found that within the scatter of experimental data dilution of n-decane with benzene and n-hexane leads to slight increase in ignition times at low temperatures and does not change critical temperatures required for direct initiation of detonations in comparison with pure n-decane/air mixtures. Ignition times in 20% hexane/80% decane (HD), 20% benzene/80% decane (BD) and 18.2% benzene/9.1% hexane/72.7% decane (BHD) mixtures at temperature range of T  1450–1750 K correlate well with induction time of Jet-A fuel suggesting that these mixtures could serve as surrogates for aviation kerosene. At the same time, HD, BD and BHD surrogate fuels demonstrate a stronger autoignition and peak velocities of reflected shock front in comparison with Jet-A and n-decane/air mixtures.     

Criteria for selection of components for surrogates of natural gas and transportation fuels

The present paper addressed the production of soot precursors, acetylene, benzene and higher aromatics, by the paraffinic (n-, iso-, and cyclo-) and aromatic components in fuels. To this end, a normal heptane mechanism compiled from sub-models in the literature was extended to large normal-, iso-, and cyclo-paraffins by assigning generic rates to reactions involving paraffins, olefins, and alkyl radicals in the same reaction class. Lumping was used to develop other semi-detailed sub-models. The resulting mechanism for components of complex fuels (named the Utah Surrogate Mechanism) includes detailed sub-models of n-butane, n-hexane, n-heptane, n-decane, n-dodecane, n-tetradecane and n-hexadecane, and semi-detailed sub-models of i-butane, i-pentane, n-pentane, 2,4-dimethyl pentane, i-octane, 2,2,3,3-tetramethyl butane, cyclohexane, methyl cyclohexane, tetralin, 2-methyl 1-butene, 3-methyl 2-pentene and aromatics. Generic rates of reaction classes were found adequate to generate reaction mechanisms of large paraffinic components. The predicted maximum concentrations of the fuel, oxidizer, and inert species, major products and important combustion intermediates, which include critical radicals and soot precursors, were in good agreement with the experimental data of three premixed flames of composite fuels under various conditions. The relative importance in benzene formation of each component in the kerosene surrogate was found to follow the trend aromatics > cyclo-paraffins > iso-paraffins > normal-paraffins. In contrast, acetylene formation is not that sensitive to the fuel chemical structure. Therefore, in formulation of surrogate fuels, attention should be focused on selecting components that will yield benzene concentrations comparable to those produced by the fuel, with the assurance that the acetylene concentration will also be well approximated.     

Fuel dependence of benzene pathways

The relative importance of formation pathways for benzene, an important precursor to soot formation, was determined from the simulation of 22 premixed flames for a wide range of equivalence ratios (1.0-3.06), fuels (C₁-C₁₂), and pressures (20-760 torr). The maximum benzene concentrations in 15 out of these flames were well reproduced within 30% of the experimental data. Fuel structural properties were found to be critical for benzene production. Cyclohexanes and C₃ and C₄ fuels were found to be among the most productive in benzene formation; and long-chain normal paraffins produce the least amount of benzene. Other properties, such as equivalence ratio and combustion temperatures, were also found to be important in determining the amount of benzene produced in flames. Reaction pathways for benzene formation were examined critically in four premixed flames of structurally different fuels of acetylene, n-decane, butadiene, and cyclohexane. Reactions involving precursors, such as C₃ and C₄ species, were examined. Combination reactions of C₃ species were identified to be the major benzene formation routes with the exception of the cyclohexane flame, in which benzene is formed exclusively from cascading fuel dehydrogenation via cyclohexene and cyclohexadiene intermediates. Acetylene addition makes a minor contribution to benzene formation, except in the butadiene flame where C₄H₅ radicals are produced directly from the fuel, and in the n-decane flame where C₄H₅ radicals are produced from large alkyl radical decomposition and H atom abstraction from the resulting large olefins.     

Systematic analysis and reduction of combustion mechanisms for ignition of multi-component kerosene surrogate

Currently, most detailed chemical kinetic mechanisms for combustion are still not comprehensive enough and update of key reaction rate is still required to improve the combustion mechanisms. The development of systematic mechanism reduction methods have made significant progress, and have greatly facilitated analysis of the reaction mechanisms and identification of important species and key reactions. In the present work, time-integrated element flux analysis is employed to analyze a skeletal combustion mechanism of a tri-component kerosene surrogate mixture, consisting of n-decane, n-propylcyclohexane, and n-propylbenzene. The results of element flux analysis indicate that major reaction pathways for each component in the surrogate model are captured by the skeletal mechanism compared with the detailed mechanism. After that, sensitivity analysis (SA) and chemical explosive mode analysis (CEMA) are conducted to identify the dominant ignition chemistry. The SA and CEMA results demonstrate that the ignition of n-decane and n-propylcyclohexane is sensitive only to the oxidation chemistry of H₂/CO and C1–C4 small hydrocarbons, while the ignition of n-propylbenzene is very sensitive to the initial reactions of n-propylbenzene and related aromatic intermediates. This demonstrates that the hierarchic structure should be maintained in the reduction of detailed mechanism of substituted aromatic fuels. The skeletal mechanism is further reduced by combining the computational singular perturbation (CSP) method and quasi steady state approximation (QSSA). A 34-species global reduced mechanism is obtained and validated over a wide range of parameters for ignition.     

Experimental and computational investigation of autoignition of jet fuels and surrogates in nonpremixed flows at elevated pressures

Experimental and computational investigations are carried out to elucidate the fundamental mechanisms of autoignition of surrogates of jet-fuels at elevated pressures up to 6 bar. The jet-fuels tested are JP-8, Jet-A, and JP-5, and the surrogates tested are the Aachen Surrogate made up of 80 % n-decane and 20 % 1,3,5-trimethylbenzene by mass, Surrogate C made up of 60 % n-dodecane, 20 % methylcyclohexane and 20 % o-xylene by volume, and the 2nd generation Princeton Surrogate made up of 40.4 % n-dodecane, 29.5 % 2,2,4-trimethylpentane, 7.3 % 1,3,5-trimethylbenzene and 22.8 % n-propylbenzene by mole. Using the counterflow configuration, an axisymmetric flow of a gaseous oxidizer stream, made up of a mixture of oxygen and nitrogen, is directed over the surface of an evaporating pool of a liquid fuel. The experiments are conducted at a fixed value of mass fraction of oxygen in the oxidizer stream and at a fixed value of the strain rate. The temperature of the oxidizer stream at autoignition, T_ig, is measured as a function of pressure, p. Experimental results show that the critical conditions, of autoignition of the surrogates are close to that of the jet-fuels. Overall the critical conditions of autoignition of Surrogate C agree best with those of the jet-fuels. Computations were performed using skeletal mechanisms constructed from a detailed mechanism. Predictions of the critical conditions of autoignition of the surrogates are found to agree well with measurements. Computations show that low-temperature chemistry plays a significant role in promoting autoignition for all surrogates. The low-temperature chemistry, of the component of the surrogate with the greatest volatility, was found to have the most influence on the critical conditions of autoignition.     

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.     

Simulations of laminar non-premixed flames of kerosene with hot combustion products as oxidiser

The effects of hot combustion product dilution in a pressurised kerosene-burning system at gas turbine conditions were investigated with laminar counterflow flame simulations. Hot combustion products from a lean (φ = 0.6) premixed flame were used as an oxidiser with kerosene surrogate as fuel in a non-premixed counterflow flame at 5, 7, 9 and 11 bar. Kerosene-hot product flames, referred to as ‘MILD’, exhibit a flame structure similar to that of kerosene–air flames, referred to as ‘conventional’, at low strain rates. The Heat Release Rate (HRR) of both conventional and MILD flames reflects the pyrolysis of the primary and intermediate fuels on the rich side of the reaction zone. Positive HRR and OH regions in mixture fraction space are of similar width to conventional kerosene flames, suggesting that MILD flames are thin fronts. MILD flames do not exhibit typical extinction behaviour, but gradually transition to a mixing solution at very high rates of strain (above A = 160, 000 s^?1 for all pressures). This is in agreement with literature that suggests heavily preheated and diluted flames have a monotonic S-shaped curve. Despite these differences in comparison with kerosene–air flames, MILD flames follow typical trends as a function of both strain and pressure. Further still, the peak locations of the overlap of OH and CH₂O mass fractions in comparison with the peak HRR indicate that the pixel-by-pixel product of OH- and CH₂O-PLIF signals is a valid experimental marker for non-premixed kerosene MILD and conventional flames.     

On laminar premixed flame propagating into autoigniting mixtures under engine-relevant conditions

Usually premixed flame propagation and laminar burning velocity are studied for mixtures at normal or elevated temperatures and pressures, under which the ignition delay time of the premixture is much larger than the flame resistance time. However, in spark-ignition engines and spark-assisted compression ignition engines, the end-gas in the front of premixed flame is at the state that autoignition might happen before the mixture is consumed by the premixed flame. In this study, laminar premixed flames propagating into an autoigniting dimethyl ether/air mixture are simulated considering detailed chemistry and transport. The emphasis is on the laminar burning velocity of autoigniting mixtures under engine-relevant conditions. Two types of premixed flames are considered: one is the premixed planar flame propagating into an autoigniting DME/air without confinement; and the other is premixed spherical flame propagating inside a closed chamber, for which four stages are identified. Due to the confinement, the unburned mixture is compressed to high temperature and pressure close to or under engine-relevant conditions. The laminar burning velocity is determined from the constant-volume propagating spherical flame method as well as PREMIX. The laminar burning velocities of autoigniting DME/air mixture at different temperatures, pressures, and autoignition progresses are obtained. It is shown that the first-stage and second-stage autoignition can significantly accelerate the flame propagation and thereby greatly increase the laminar burning velocity. When the first-stage autoignition occurs in the unburned mixture, the isentropic compression assumption does not hold and thereby the traditional method cannot be used to calculate the laminar burning velocity. A modified method without using the isentropic compression assumption is proposed. It is shown to work well for autoigniting mixtures. Besides, a power law correlation is obtained based on all the laminar burning velocity data. It works well for mixtures before autoignition while improvement is still needed for mixtures after autoignition.     

Experimental and modeling study on the pyrolysis and oxidation of n-decane and n-dodecane

High pressure n-decane and n-dodecane shock tube experiments were conducted to assist in the development of a Jet A surrogate kinetic model. Jet A is a kerosene based jet fuel composed of hundreds of hydrocarbons consisting of paraffins, olefins, aromatics and naphthenes. In the formulation of the surrogate mixture, n-decane or n-dodecane represent the normal paraffin class of hydrocarbons present in aviation fuels like Jet A. The experimental work on both n-alkanes was performed in a heated high pressure single pulse shock tube. The mole fractions of the stable species were determined using gas chromatography and mass spectroscopy. Experimental data on both n-decane and n-dodecane oxidation and pyrolysis were obtained for temperatures from 867 to 1739 K, pressures from 19 to 74 atm, reaction times from 1.15 to 3.47 ms, and equivalence ratios from 0.46 to 2.05, and ∞. Both n-decane and n-dodecane oxidation showed that the fuel decays through thermally driven oxygen free decomposition at the conditions studied. This observation prompted an experimental and modeling study of n-decane and n-dodecane pyrolysis using a recently submitted revised n-decane/iso-octane/toluene surrogate model. The surrogate model was extended to n-dodecane in order to facilitate the study of the species and the 1-olefin species quantified during the pyrolysis of n-dodecane and n-decane were revised with additional reactions and reaction rate constants modified with rate constants taken from literature. When compared against a recently published generalized n-alkane model and the original and revised surrogate models, the revised (based on our experimental work) and extended surrogate model showed improvements in predicting 1-olefin species profiles from pyrolytic and oxidative n-decane and n-dodecane experiments. The revised and extended model when compared to the published generalized n-alkane and surrogate models also showed improvements in predicting species profiles from flow reactor n-decane oxidation experiments, but similarly predicted n-decane and n-dodecane ignition delay times.     

Experimental study of the ignition of <Emphasis Type="Italic">n</Emphasis>-hexane- and <Emphasis Type="Italic">n</Emphasis>-decane-based surrogate fuels

Surrogate fuels on the basis of mixtures of n-hexane, n-decane, and benzene are fuels alternative to petroleum motor fuels, similar to the former in thermodynamic and kinetic properties. The fact the surrogate fuels are composed of a limited number of components makes it possible to develop both detailed and global kinetic mechanisms of their ignition in mixtures with oxidizers. In turn, the possibility of the kinetic modeling of the ignition of such fuels over wide temperature and pressure ranges is of critical importance for the numerical modeling of combustion-to-detonation transition phenomena. An experimental method for measuring ignition delay times of mixtures of air with liquid fuels with low vapor pressure under normal conditions is developed and tested. In the present work, the ignition of stoichiometric mixtures of air with n-hexane, n-decane, and surrogate fuels composed of 20% n-hexane and 80% n-decane, 20% benzene and 80% n-decane, and 9.1% n-hexane, 18.2% benzene, and 72.7% n-decane is experimentally investigated in a static reactor. The ignition delay time is determined by recording pressure oscillograms at temperatures of 530–1030 K and pressures of 1–9 atm.     

The influence of water on extinction and ignition of hydrogen and methane flames

The influence of water vapor on critical conditions of extinction and autoignition of premixed and nonpremixed flames is investigated. The fuels tested are hydrogen (H₂) and methane (CH₄). Studies on premixed systems are carried out by injecting a premixed reactant stream made up of fuel, oxygen (O₂), and nitrogen (N₂) from one duct, and an inert-gas stream of N₂ from the other duct. Critical conditions of extinction are measured for various amounts of water vapor added to the premixed reactant stream. The ratio of fuel to oxygen is maintained at a constant value, and the amounts of water vapor and nitrogen are so chosen that the adiabatic temperature remains the same. This ensures that the physical influence of water is the same for all cases. Therefore, changes in values for the critical conditions of extinction are attributed to the chemical influence of water vapor. Studies on nonpremixed systems are carried out by injecting a fuel stream made up of fuel and N₂ from one duct ,and an oxidizer stream made up of O₂ and N₂ from the other duct. Critical conditions of extinction are measured with water vapor added to the oxidizer stream. The concentrations of reactants are so chosen that the adiabatic temperature and the flame position stay the same for all cases. Critical conditions of autoignition are measured by preheating the oxidizer stream of the nonpremixed system. Water vapor is added to the oxidizer stream. Numerical calculations are performed using a detailed chemical-kinetic mechanism and compared with measurements. Experimental and numerical studies show that addition of water makes the premixed and nonpremixed flames easier to extinguish and harder to ignite. The chemical influence of water is attributed to its enhanced chaperon efficiency in three body reactions.     

Counterflow ignition and extinction of FACE gasoline fuels

The demand for petroleum-derived gasoline in the transportation sector is on the rise. For better knowledge of gasoline combustion in practical combustion systems, this study presents experimental measurements and numerical prediction of autoignition temperatures and extinction limits of six FACE (fuels for advanced combustion engines) gasoline fuels in counterflow flames. Extinction limits were measured at atmospheric pressures while the experiments for autoignition temperatures were carried out at atmospheric and high pressures. For atmospheric pressure experiment, the fuel stream consists of the pre-vaporized fuel diluted with nitrogen, while a condensed fuel configuration is used for ignition experiment at higher chamber pressures. The oxidizer stream is pure air. Autoignition temperatures of the tested fuels are nearly the same at atmospheric pressure, while a huge difference is observed as the pressure is increased. Unlike the ignition temperatures at atmospheric pressures, minor difference exists in the extinction limits of the tested fuels. Simulations were carried out using a recently developed gasoline surrogate model. Both multi-component and n-heptane/isooctane mixtures were used as surrogates for the simulations. Overall, the n-heptane/isooctane surrogate mixtures are consistently more reactive as compared the multi-component surrogate mixtures. Transport weighted enthalpy and radical index analysis was used to explain the differences in extinction strain rates for the various fuels.     

Laser Spectrometric Measurement System for Local Express Diagnostics of Flame at Combustion of Liquid Hydrocarbon Fuels

A laboratory laser spectrometric measurement system for investigation of spatial distributions of local temperatures in a flame at combustion of vapors of various liquid hydrocarbon fuels in oxygen or air at atmospheric pressure is presented. The system incorporates a coherent anti-Stokes Raman spectrometer with high spatial resolution for local thermometry of nitrogen-containing gas mixtures in a single laser shot and a continuous operation burner with a laminar diffusion flame. The system test results are presented for measurements of spatial distributions of local temperatures in various flame zones at combustion of vapor—gas n-decane/nitrogen mixtures in air. Its applicability for accomplishing practical tasks in comparative laboratory investigation of characteristics of various fuels and for research on combustion in turbulent flames is discussed.     

Establishment of a set of skeletal oxidation mechanisms for mono-alkylated cyclohexanes with consistent structure

As a major chemical class of fossil fuels, mono-alkylated cyclohexanes are frequently employed to construct the surrogate fuels of fossil fuels. Much effort has been made to study the oxidation behavior of mono-alkylated cyclohexanes, but reduced/skeletal mechanisms suitable for multi-dimensional combustion simulations are still scarce. In this work, a set of skeletal models for mono-alkylated cyclohexanes from methyl-cyclohexane (MCH) to octyl-cyclohexane (n-OTCH) were built and deduced by integrating the decoupling methodology and reaction rate rules. The development process contains two parts, i.e., the skeletal model establishment for the base fuel and the skeletal model deduction for other fuels utilizing the reaction rate rules. For mono-alkylated cyclohexanes, the reactions in the fuel-relevant sub-model also dominate the laminar flame speed, apart from the C₀–C₃ sub-model, which differs from that of n-alkanes. To well capture the flame propagation behavior, the local sensitivity analysis on the comprehensive mechanism was introduced. For each mono-alkylated cyclohexane, the skeletal model includes 52 species and 216 reactions. The final skeletal models were validated against extensive experimental measurements in jet-stirred reactors, shock tubes, rapid compression machines, and premixed flames over wide operating conditions. Satisfactory agreements between the observed data and simulated results are achieved, which indicates the practicability of the proposed method.     

Autoignition and combustion of hydrocarbon-hydrogen-air homogeneous and heterogeneous ternary mixtures

A numerical simulation of the ignition and combustion of hydrocarbon-hydrogen-air homogeneous and heterogeneous (gas-drop) ternary mixtures for three hydrocarbon fuels (n-heptane, n-decane, and n-dodecane) is for the first time performed. The simulation is carried out based on a fully validated detailed kinetic mechanism of the oxidation of n-dodecane, which includes the mechanisms of the oxidation of n-decane, n-heptane, and hydrogen as constituent parts. It is demonstrated that the addition of hydrogen to a homogeneous or heterogeneous hydrocarbon-air mixture increases the total ignition delay time at temperatures below 1050 K, i.e., hydrogen acts as an ignition inhibitor. At low temperatures, even ternary mixtures with a very high hydrogen concentration show multistage ignition, with the temperature dependence of the ignition delay time exhibiting a negative temperature coefficient region. Conversely, the addition of hydrogen to homogeneous and heterogeneous hydrocarbon-air mixtures at temperatures above 1050 K reduces the total ignition delay time, i.e., hydrogen acts as an autoignition promoter. These effects should be kept in mind when discussing the prospects for the practical use of hydrogen-containing fuel mixtures, as well as in solving the problems of fire and explosion safety.     

On the combined effects of compositional inhomogeneity and ammonia addition to turbulent flames of ethylene

This paper is part of a broader program aimed at investigating the effects of co-firing clean fuels such as ammonia or hydrogen with hydrocarbons. The focus is on soot formation as well as flame stability in turbulent mixed-mode combustion, which is highly relevant in practical combustors. Ammonia substitution for nitrogen results in reduced flame stability, and this is correlated to differences in flame speed and extinction strain rate. While it is known that the addition of ammonia suppresses soot, visual inspection of compositionally inhomogeneous flames of ethylene-ammonia indicates a reduction in ammonia's ability to suppress soot formation. Measurements of soot volume fraction and laser-induced fluorescence in selected UV and visible bands are made along the centreline in selected flames to test this hypothesis. Experimental results are then compared to simulations in laminar diffusion flames, stratified counterflow flames, and partially premixed flames. All results confirm the soot-inhibiting ability of ammonia. Increasing inhomogeneity, leading to higher centreline mixture fractions, enhances soot formation, and the level of enhancement is greater for flames with ammonia than without. Moreover, it is found that partial premixing is ultimately responsible for determining the amount of soot formed as opposed to stratification of fuel mixtures near the pilot.