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.     

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.     

Combustion characteristics and detailed simulations of surrogates for a Tier II gasoline certification fuel

An experimental and numerical study of combustion of a gasoline certification fuel (‘indolene’), and four (S4) and five (S5) component surrogates for it, is reported for the configurations of an isolated droplet burning with near spherical symmetry in the standard atmosphere, and a single cylinder engine designed for advanced compression ignition of pre-vaporized fuel. The intent was to compare performance of the surrogate for these different combustion configurations and to assess the broader applicability of the kinetic mechanism and property database for the simulations. A kinetic mechanism comprised of 297 species and 16,797 reactions was used in the simulations that included soot formation and evolution, and accounted for unsteady transport, liquid diffusion inside the droplet, radiative heat transfer, and variable properties. The droplet data showed a clear preference for the S5 surrogate in terms of burning rate. The simulations showed generally very good agreement with measured droplet, flame, and soot shell diameters. Measurements of combustion timing, in-cylinder pressure, and mass-averaged gas temperature were also well predicted with a slight preference for the S5 surrogate. Preferential vaporization was not evidenced from the evolution of droplet diameter but was clearly revealed in simulations of the evolution of mixture fractions inside the droplets. The influence of initial droplet diameter (D_o) on droplet burning was strong, with S5 burning rates decreasing with increasing D_o due to increasing radiation losses from the flame. Flame extinction was predicted for D_o =3.0 mm as a radiative loss mechanism but not predicted for smaller D_o for the conditions of the simulations.     

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.     

The effect of molecular structures of alkylbenzenes on ignition characteristics of binary n-heptane blends

Alkylbenzenes are major aromatic constituents of real transportation fuels and important surrogate components. In this study, the structural impact of nine alkylbenzenes on their ignition characteristics is experimentally and computationally investigated with particular emphasis on the blending effect with significantly more reactive normal alkanes. Experimental comparisons of mono-alkylbenzenes (toluene, ethylbenzene, n-propylbenzene, iso-propylbenzene) from a modified CFR engine showed that the difference in pure alkylbenzene reactivity significantly diminished when blended with n-heptane, as the strength of the radical scavenging effect of all three alkylbenzenes is similar. Among C₈H₁₀ isomers, the reactivity of pure ethylbenzene and o-xylene and their blends with n-heptane showed a complex competing effect between the difference in CH bond energy and the existence of intermediate/low-temperature chemistry caused by adjacent methyl pairs. A similar structural impact was also observed for C₉H₁₂ isomers and their blends with n-heptane, while the influence of CH bond energy was more noticeable than C₈H₁₀ molecules. Kinetic simulations of the alkylbenzene/n-heptane blends highlighted the effect caused by adjacent methyl pairs that is referred to as the “ortho effect”. Analysis of ethylbenzene and o-xylene showed that o-xylene's intermediate/low-temperature pathways initiated by benzylperoxy radical – benzylhydroperoxide isomerization (RO2 – QOOH) produce additional active radicals such as OH and CH₂O, which accelerates the oxidation chemistry of more reactive n-heptane. This study provides knowledge on the blending effect of alkylbenzene compounds with n-heptane on their ignition characteristics that is useful to develop surrogates that can better mimic the reactivity of real fuels.     

Influence of oxygen concentration on the sooting behavior of ethanol droplet flames in microgravity conditions

The influence of oxygen (O₂) concentration and inert on the sooting and burning behavior of large ethanol droplets under microgravity conditions was investigated through measurements of burning rate, flame temperature, sootshell diameter, and soot volume fraction. The experiments were performed at the NASA Glenn Research Center (GRC) 2.2 s drop tower in Cleveland, OH. Argon (Ar), helium (He), and nitrogen (N₂) were used as the inerts and the O₂ concentration was varied between 21% and 50% mole fraction at 2.4 atm. The unique configuration of spherically symmetric droplet flames enables effective control of sooting over a wide range of residence time of fuel vapor transport, flame temperature, and regimes of sooting to investigate attendant influences on burning behavior of droplets. For all inert cases, soot volume fraction initially increased as a function of the O₂ concentration. The highest soot volume fractions were measured for experiments in Ar environments and the lowest soot volume fractions were measured for the He environments. These differences were attributed to the changes in the residence time for fuel vapor transport and the flame temperature. For the He inert and N₂ inert cases, the soot volume fraction began to decrease after reaching a maximum value. The competition between the influence of residence time, rate of pyrolysis reactions, and soot oxidation can lead to this interesting behavior in which the soot volume fraction varies non-monotonically with increase in O₂ concentration. These experiments have developed new understanding of the burning and sooting behaviors of ethanol droplets under various O₂ concentrations and inert substitutions.     

Ability of Particulate Matter Index to describe sooting tendency of various gasoline formulations in a stratified-charge spark-ignition engine

This study investigates the ability of Particulate Matter Index (PMI) to describe the sooting behavior of various gasoline formulations in a stratified-charge (SC) spark-ignition engine. The engine was operated at 2000 rpm with an intake pressure of 130 kPa where soot formation is known to primarily occur in the bulk gases. Exhaust soot emissions were measured for nine test fuels at various exhaust gas recirculation levels. A comparison between measured soot levels and PMI shows that PMI is a relatively poor predictor of the sooting tendency of the tested fuels under lean SC combustion. Among the fuels, three fuels, namely the di-isobutylene blend, High Olefin, and E30 fuels exhibit measured soot behavior opposite of that predicted by PMI. Optical diagnostics were utilized to further investigate the in-cylinder phenomena for these three fuels. Analysis of natural luminosity and diffused back-illumination extinction imaging suggests that fuel-induced differences in the amount of soot formed are responsible for a majority of the discrepancy in measured versus predicted sooting tendency. Fuel-induced differences in soot oxidation and spray development seem to play minor roles. Because the combustion and air-fuel mixing processes for lean SC combustion are different from conventional stoichiometric operation it is hypothesized that the PMI correlation needs to be modified to account for differences in stoichiometric air-fuel ratio and level of oxygenation between fuels. Furthermore, the role of fuel volatility in PMI possibly needs to be de-emphasized for SC operation with fuel injection into compression-heated gases.     

Measurement and modeling of the sooting propensity of binary fuel mixtures

The sooting behaviour of binary fuel mixtures was evaluated both experimentally and through computer simulations. The soot volume fraction in laminar diffusion flames of mixtures of ethylene/propane, methane/ethylene, methane/propane, methane/ethane, methane/butane, ethane/propane and ethane/ethylene fuels was measured using 2-dimensional line of sight attenuation. A synergistic effect was observed for the ethylene/propane, methane/ethylene, methane/ethane and ethane/ethylene mixtures. The synergistic effect translated into a higher soot concentration for a mixture fraction than could be yielded by the added contribution of both pure fuels. Such an effect was not observed for the methane/propane, methane/butane and ethane/propane mixtures. Through experiments in which the flame temperature was kept constant, it was determined that the synergistic effect in the methane/ethylene mixture is very temperature dependent whereas, that in the ethylene/propane mixture is not. This phenomenon was further studied through the modeling of the ethylene/propane mixture. Numerical simulations were carried out using two different soot models. The simulations confirmed the presence of a synergistic effect. It was found that the effect could be directly correlated to a synergistic effect in the concentration of n-C₄H₅ and n-C₄H₃, which could be traced back to an interaction between ethylene and methyl radical species. These results yield further insight into the pathways to soot formation and highlight the importance of further analyzing binary fuel mixtures as a means of understanding soot formation in practical devices using industrial fuels.     

Modelling biodiesel–diesel spray combustion using multicomponent vaporization coupled with detailed fuel chemistry and soot models

A multicomponent vaporization model is integrated with detailed fuel chemistry and soot models for simulating biodiesel–diesel spray combustion. Biodiesel, a fuel mixture comprised of fatty-acid methyl esters, is an attractive alternative to diesel fuel for use in compression-ignition engines. Accurately modelling of the spray, vaporization, and combustion of the fuel mixture is critical to predicting engine performance using biodiesel. In this study, a discrete-component vaporization model was developed to simulate the vaporization of biodiesel drops. The model can predict differences in the vaporization rates of different fuel components. The model was validated by use of experimental data of the measured biodiesel drop size history and spray penetration data obtained from a constant-volume chamber. Gas phase chemical reactions were simulated using a detailed reaction mechanism that also includes PAH reactions leading to the production of soot precursors. A phenomenological multi-step soot model was utilized to predict soot emissions from biodiesel–diesel combustion. The soot model considered various steps of soot formation and destruction, such as soot inception, surface growth, coagulation, and PAH condensation, as well as oxidation by oxygen and hydroxyl-containing molecules. The overall numerical model was validated with experimental data on flame structure and soot distributions obtained from a constant-volume chamber. The model was also applied to predict combustion, soot and NOx emissions from a diesel engine using different biodiesel–diesel blends. The engine simulation results were further analysed to determine the soot emissions characteristics by use of biodiesel–diesel fuels.     

Change of evaporation rate of single monocomponent droplet with temperature using time-resolved phase rainbow refractometry

Droplet evaporation characterization, although of great significance, is still challenging. The recently developed phase rainbow refractometry (PRR) is proposed as an approach to measuring the droplet temperature, size as well as evaporation rate simultaneously, and is applied to a single flowing n-heptane droplet produced by a droplet-on-demand generator. The changes of droplet temperature and evaporation rate after a transient spark heating are reflected in the time-resolved PRR image. Results show that droplet evaporation rate increases with temperature, from ?1.28$\times {10}^{?8}$ m²/s at atmospheric 293 K to a range of (?1.5, ?8)$\times {10}^{?8}$ m²/s when heated to (294, 315) K, agreeing well with the Maxwell and Stefan–Fuchs model predictions. Uncertainty analysis suggests that the main source is the indeterminate gradient inside droplet, resulting in an underestimation of droplet temperature and evaporation rate. With the demonstration on simultaneous measurements of droplet refractive index as well as droplet transient and local evaporation rate in this work, PRR is a promising tool to investigate single droplet evaporation in real engine conditions.     

Coupling of turbulence on the ignition of multicomponent sprays

This study examines the effect of turbulence on the ignition of multicomponent surrogate fuels and its role in modifying preferential evaporation in multiphase turbulent spray environments. To this end, two zero-dimensional droplet models are considered that are representative of asymptotic conditions of diffusion limit and the distillation limit are considered. The coupling between diffusion, evaporation and combustion is first identified using a scale analysis of 0D homogeneous batch reactor simulations. Subsequently, direct numerical simulations of homogeneously dispersed multicomponent droplets are performed for both droplet models, in decaying isotropic turbulence and at quiescent conditions to examine competing time scale effects arising from evaporation, ignition and turbulence. Results related to intra-droplet transport and effects of turbulence on autoignition and overall combustion are studied using an aviation fuel surrogate. Depending on the characteristic scale, it is shown that turbulence can couple through modulation of evaporation time or defer the ignition phase as a result of droplet cooling or gas-phase homogenization. Both preferential evaporation and turbulence are found to modify the ignition delay time, up to a factor of two. More importantly, identical droplet ignition behavior in homogeneous gas phase can imply fundamentally different combustion modes in heterogeneous environments.     

On the combustion and sooting behavior of standard and hydro-treated jet fuels: An experimental and modeling study on the compositional effects

In a context of growing level of environmental awareness, emission from aviation are the subject of increasing scrutiny. This situation poses important challenges because, due to safety, practical and economic factors, aero-transportation technologies are not likely to undergo rapid paradigm shifts. An area where important innovations are being introduced is fuel technology: fuels from alternative processes, potentially from renewable sources, offer the opportunity of limiting the carbon footprint of transportation, moreover, a better control on fuel quality can contribute to reducing emissions.Hydro-treating of oil based fuels can reduce their sulfur and aromatic content promoting a cleaner combustion. In order to better understand the impact of hydro-treating on emissions of PAHs and soot from jet fuels, new speciation data covering oxidation intermediates and soot precursors were measured in a flow reactor for a standard jet fuel and its hydro-treated counterpart. Using a detailed kinetic mechanism and complex surrogate blends mimicking the composition of the real fuels, the speciation data from the flow reactor were simulated. Additionally, soot formation trends were calculated and compared with previously published data. Using the kinetic model, which is based on mechanistic principles, it was possible to separate the relative contribution of different processes and, for the fuel blends of interest, the role played by specific components in the PAHs and soot formation. The results obtained provide useful information towards more effective fuel formulation strategies and fuel blends modeling.     

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.     

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.     

Auto-ignition study of FACE gasoline and its surrogates at advanced IC engine conditions

Robust surrogate formulation for gasoline fuels is challenging, especially in mimicking auto-ignition behavior observed under advanced combustion strategies including boosted spark-ignition and advanced compression ignition. This work experimentally quantifies the auto-ignition behavior of bi- and multi-component surrogates formulated to represent a mid-octane (Anti-Knock Index 91.5), full boiling-range, research grade gasoline (Fuels for Advanced Combustion Engines, FACE-F). A twin-piston rapid compression machine is used to achieve temperature and pressure conditions representative of in-cylinder engine operation. Changes in low- and intermediate-temperature behavior, including first-stage and main ignition times, are quantified for the surrogates and compared to the gasoline. This study identifies significant discrepancies in the first-stage ignition behavior, the influence of pressure for the bi- to ternary blends, and highlights that better agreement is achieved with multi-component surrogates, particularly at lower temperature regimes. A recently-updated detailed kinetic model for gasoline surrogates is also used to simulate the measurements. Sensitivity analysis is employed to interpret the kinetic pathways responsible for reactivity trends in each gasoline surrogate.     

Surrogate formulation for diesel and jet fuels using the minimalist functional group (MFG) approach

Surrogate fuels aim to reproduce real fuel combustion characteristics in order to enable predictive simulations and fuel/engine design. In this work, surrogate mixtures were formulated for three diesel fuels (Coryton Euro and Coryton US-2D certification grade and Saudi pump grade) and two jet fuels (POSF 4658 and POSF 4734) using the minimalist functional group (MFG) approach, a method recently developed and tested for gasoline fuels. The diesel and jet fuel surrogates were formulated by matching five important functional groups, while minimizing the surrogate components to two species. Another molecular parameter, called as branching index (BI), which denotes the degree of branching was also used as a matching criterion. The present works aims to test the ability of the MFG surrogate methodology for high molecular weight fuels (e.g., jet and diesel). ¹H Nuclear Magnetic Resonance (NMR) spectroscopy was used to analyze the composition of the groups in diesel fuels, and those in jet fuels were evaluated using the molecular data obtained from published literature. The MFG surrogates were experimentally evaluated in an ignition quality tester (IQT), wherein ignition delay times (IDT) and derived cetane number (DCN) were measured. Physical properties, namely, average molecular weight (AMW) and density, and thermochemical properties, namely, heat of combustion and H/C ratio were also compared. The results show that the MFG surrogates were able to reproduce the combustion properties of the above fuels, and we demonstrate that fewer species in surrogates can be as effective as more complex surrogates. We conclude that the MFG approach can radically simplify the surrogate formulation process, significantly reduce the cost and time associated with the development of chemical kinetic models, and facilitate surrogate testing.     

Highly radiating hydrogen flames: Effect of toluene concentration and phase

Adapting hydrogen as a carbon-free fuel for industrial applications requires new, innovative approaches, especially when radiant heat transfer is required. One possible option is to dope hydrogen with bio-oils, containing aromatics that help produce highly sooting flames. This study investigates the potential doping effects of toluene on a hydrogen-nitrogen (1:1 vol) flames. Flames with 1–5% toluene, based on the mole concentration of hydrogen, are measured using a combination of techniques including: still photographs and laser-based techniques. Toluene was mixed with hydrogen-nitrogen fuel mixture as either a vapour carried by nitrogen, or as a dilute spray. Spray flames are found to produce substantially more polycylic aromatic hydrocarbons, with significantly more soot near the nozzle exit plane, than the prevaporised flames. Increasing the dopant concentration from 1 to 3% of the hydrogen has a marked effect on soot loading in the flame, although the further increasing the dopant concentration to 5% has a far smaller effect on the soot produced in the flame. Simulations of laminar flames using detailed chemical kinetics support the above findings and reveal details of the competition between soot precursor formation and hydrocarbon oxidation. Correlations of formation rates are non-linear with toluene concentration in cases where toluene represents less than 10% of the fuel, although expected linear relationships are noted beyond this regime up to 1:1 toluene/hydrogen blends. The study provides insight and explanation into effects of toluene as a dopant, comparison between flame doping in gaseous or liquid phases and suggests that flame doping and blending should be treated as different regimes for their global effect on flame sooting characteristics.     

Application of an aerosol shock tube to the measurement of diesel ignition delay times

Shock tube ignition delay times were measured for DF-2 diesel/21% O₂/argon mixtures at pressures from 2.3 to 8.0 atm, equivalence ratios from 0.3 to 1.35, and temperatures from 900 to 1300 K using a new experimental flow facility, an aerosol shock tube. The aerosol shock tube combines conventional shock tube methodology with aerosol loading of fuel-oxidizer mixtures. Significant efforts have been made to ensure that the aerosol mixtures were spatially uniform, that the incident shock wave was well-behaved, and that the post-shock conditions and mixture fractions were accurately determined. The nebulizer-generated, narrow, micron-sized aerosol size distribution permitted rapid evaporation of the fuel mixture and enabled separation of the diesel fuel evaporation and diffusion processes that occurred behind the incident shock wave from the chemical ignition processes that occurred behind the higher temperature and pressure reflected shock wave. This rapid evaporation technique enables the study of a wide range of low-vapor-pressure practical fuels and fuel surrogates without the complication of fuel cracking that can occur with heated experimental facilities. These diesel ignition delay measurements extend the temperature and pressure range of earlier flow reactor studies, provide evidence for NTC behavior in diesel fuel ignition delay times at lower temperatures, and provide an accurate data base for the development and comparison of kinetic mechanisms for diesel fuel and surrogate mixtures. Representative comparisons with several single-component diesel surrogate models are also given.     

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.     

Propagation and extinction of an unsteady spherical spray flame front

Experimental evidence seems to indicate that the life of a laminar spherical flame front propagating through a fresh mixture of air and liquid fuel droplets can be roughly split into three stages: (1) ignition, (2) radial propagation with a smooth flame front and (3) propagation with flame front cellularization and/or pulsation. In this work, the second stage is analysed using the slowly varying flame approach, for a fuel rich flame. The droplets are presumed to vaporize in a sharp front ahead of the reaction front. Evolution equations for the flame and evaporation fronts are derived. For the former the combined effect of heat loss due to droplet vaporization and radiation plays a dominant explicit role. In addition, the structure of the evaporation front is deduced using asymptotics based on a large parameter associated with spray vaporization. Numerical calculations based on the analysis point to the way in which the spray modifies conditions for flame front extinction. Within the framework of the present simplified model the main relevant parameters turn out to be the initial liquid fuel load in the fresh mixture and/or the latent heat of vaporization of the fuel.