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.     

Experimental and computational investigation of extinction and autoignition of propane and n-heptane in nonpremixed flows

An experimental and computational investigation is carried out to characterize the influence of reactants on critical conditions for extinction and for autoignition of propane and n-heptane in nonpremixed counterflow configurations. Propane or vaporized n-heptane mixed with nitrogen is transported in one stream while the other stream is made up of air mixed with nitrogen. Measurements of the oxidizer stream temperature needed for autoignition are made at fixed values of the strain rate, either with the fuel mass fraction varied at a fixed oxygen mass fraction or with the oxygen mass fraction varied at a fixed fuel mass fraction. Extinction strain rates for propane are measured as a function of the oxygen mass fraction with room-temperature feed streams and the fuel mass fraction fixed and for n-heptane as a function of the fuel mass fraction with the oxygen mass fraction and feed-stream temperatures fixed. Predictions of critical conditions for extinction and autoignition are made employing detailed kinetic mechanisms. Predictions of critical conditions for extinction are in reasonable agreement with measurements, but there are significant discrepancies for autoignition. Measurements show that increasing the mass fraction of either fuel or oxygen increases the overall reactivity thereby reducing the autoignition temperature. The kinetic models predict the increase in reactivity of the mixing layer with increasing mass fraction of fuel but predict very little change in reactivity of the mixing layer with increasing mass fraction of oxygen, thus failing to predict the influence of oxygen on autoignition. It is concluded that there may exist kinetic pathways responsible for this disagreement that are yet to be discovered, and paths that fail to explain the results are identified.     

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.     

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.     

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.     

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.     

Modelling of aromatics and soot formation from large fuel molecules

There is a need for prediction models of soot particles and polycyclic aromatic hydrocarbons (PAHs) formation in parametric conditions prevailing in automotive engines: large fuel molecules and high pressure. A detailed kinetic mechanism able to predict the formation of benzene and PAHs up to four rings from C₂ fuels, recently complemented by consumption reactions of decane, was extended in this work to heptane and iso-octane oxidation. Species concentrations measured in rich, premixed flat flames and in a jet stirred reactor (JSR) were used to check the ability of the mechanism to accurately predict the formation of C₂ and C₃ intermediates and benzene at pressures ranging from 0.1 to 2.0 MPa. Pathways analyses show that propargyl recombination is the only significant route to benzene in rich heptane and iso-octane flames. When included as the first step of a soot particle formation model, the gas-phase kinetic mechanism predicts very accurately the final soot volume fraction measured in a rich decane flame at 0.1 MPa and in rich ethylene flames at 1.0 and 2.0 MPa.     

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.     

Orientational order parameter studies on 3.Om and 3O.Om liquid crystals

Orientational order parameter S is evaluated in the nematic phase of six liquid crystal compounds, N-(p-n-propyl benzylidene)-p-n-alkoxy anilines, 3.Om and N-(p-n-propyloxy benzylidene)-p-n-alkoxy anilines, 3O.Om compounds with m = 6, 7 and 8, using different methods. The techniques employed are S from birefringence δn, Haller's approximation from (1?T/T_c) ^β, effective geometry parameter α_g and Vuks’ scaling factor S_C. The values of S obtained using the above methods are compared with one another and with the results on a number of liquid crystals; the liquid crystals favor isotropic Vuks’ method.     

Ignition of hydrogen in unsteady nonpremixed flows

The effects of unsteady strain on hydrogen (H₂) ignition in nonpremixed flows are investigated with both experimental measurements and numerical computations. A mixing layer is established in a counterflow configuration with a fuel stream containing N₂–diluted H₂ (X_H2=0.08) flowing against heated air. A reproducible ignition process is initiated by introducing atomic oxygen into the mixing layer with a pulsed ArF excimer laser, which photodissociates heated O₂ from the oxidizer stream. The temporal evolution of OH during ignition is measured by planar laser-induced fluorescence. Following the induction phase, the measured OH mole fraction increases rapidly to a super-equilibrium value that is 60% greater than the OH mole fraction in a steady diffusion flame. The peak OH mole fraction occurs at approximately 6 ms after the excimer laser pulse. To study the OH time history under transient strain, the fuel stream is pulsed at a fixed time after the initiation of ignition. The response of the ignition kernel is extremely sensitive to the time delay of the flow transient. The unsteady strain can delay the ignition time or extinguish the kernel. Comparisons between computations and experiments are made for the evolution of OH during autoignition both for steady and unsteady strain. For both steady and unsteady strain, the transient one-dimensional counterflow computations show excellent agreement with the experiment in terms of predicting ignition delays and the rate of OH accumulation during the induction period. The computations also capture the super-equilibrium OH during the transition to the formation of a steady flame, although not to the degree observed experimentally. The computations are further used to understand the influence of unsteady strain on the kernel evolution. It is found that the degree of super-equilibrium OH is sensitive to strain transients applied close to the time of thermal runaway.     

Transported scalar PDF calculations of autoignition of a hydrogen jet in a heated turbulent co-flow

The joint scalar PDF method, as implemented in FLUENT, was used to simulate the autoignition of a jet of hydrogen in a turbulent co-flow of heated air. While the autoignition phenomenon is intermittent in the experiment, ensemble-averaged data on the effect of the flow on ignition length are available, which enables us to compare them with the steady state calculations.Results of sensitivity tests showed that the choice of chemical mechanism affects the calculation more than the mixing model and model constants. Further calculations for different initial conditions (i.e. temperature and velocity of the jet T _jet and U _jet and the co-flow T _air and U _air) have been done using a set of parameters selected after the sensitivity study. Scatter plots and conditional scalar profiles confirmed that the ignition is always initiated in lean mixture fractions. The ignition length was predicted with good accuracy for the case of U _jet>U _air but not so well for the case of U _jet≈U _air. For the equal velocity case, increasing the velocity resulted in delayed autoignition time (defined as the ignition length divided by the mean velocity), in agreement with the experimental trend. The results give credence to the use of the joint scalar PDF method for autoignition in non-premixed flows.     

Conventional spark versus nanosecond repetitively pulsed discharge for a turbulence facilitated ignition phenomenon

This work applies both conventional-single-spark-discharge (CSSD) at 500-µs pulse duration time and nanosecond-repetitively-pulsed-discharge (NRPD) at various pulsed-repetitive-frequency PRF = 5–70 kHz to explore a turbulence facilitated ignition (TFI) phenomenon using a pair of pin-to-pin electrodes at an inter-electrode gap of 0.8 mm in randomly-stirred lean n-butane/air mixture with Lewis number ? 1. For CSSD, measured laminar and turbulent minimum ignition energies (MIE_L and MIE_T) at 50% ignitability show that MIE_L≈ 23 mJ > the smallest MIE_T≈ 19.7 mJ at u′ = 0.9 m/s (TFI) and then MIE_T≈ 28.6/30.8/36.8 mJ at u′ = 1.4/2.1/2.8 m/s (no TFI), where u′ is the r.m.s turbulent fluctuating velocity. For comparison, all NRPD experiments apply the same total ignition energy E_tot≈ 23 mJ via a fixed train of 11 pulses, each pulse with 2.2 mJ except for the first pulse with 1 mJ. NRPD results show a cumulatively synergistic effect depending on the coherence between PRF and an inward reactant flow recirculation frequency (f_RC) inside the torus-like kernel induced by the discharge that could enhance ignition. When PRF is approximately synchronizing with f_RC, the synergistic effect is most profound at PRF = 20-kHz/40-kHz with very high ignition probability P_ig = 90%/85% > 50% in quiescence, whereas lower values of P_ig = 42%/34% are found at PRF = 10-kHz/60-kHz. Further, P_ig = 0 at PRF = 5-kHz even when 5000 pulses (E_tot≈ 10 J) are applied. We discover that P_ig decreases significantly with increasing u′ for most PRFs (no TFI) except at higher PRF ≥ 60 kHz showing possible TFI. These results are attributed to the interactions between turbulent dissipation, differential diffusion, and synergistic influence, which are substantiated by Schlieren images of initial kernel development and the ignition time determined at one half of the flame critical radius that leads to a self-sustained spherical flame propagation.     

Restoration of kT factorization for low pT hadron hadroproduction

We discuss the applicability of the k _T factorization theorem to low-p _T hadron production in hadron–hadron collision in a simple toy model, which involves only scalar particles and gluons. It has been shown that the k _T factorization for high-p _T hadron hadroproduction is broken by soft gluons in the Glauber region, which are exchanged among a transverse-momentum-dependent (TMD) parton density and other subprocesses of the collision. We explain that the contour of a loop momentum can be deformed away from the Glauber region at low p _T , so the above residual infrared divergence is factorized by means of the standard eikonal approximation. The k _T factorization is then restored in the sense that a TMD parton density maintains its universality. Because the resultant Glauber factor is independent of hadron flavors, experimental constraints on its behavior are possible. The k _T factorization can also be restored for the transverse single-spin asymmetry in hadron–hadron collision at low p _T in a similar way, with the residual infrared divergence being factorized into the same Glauber factor.     

确定等价电子杨盘基的等概率比对方法

给出了等价电子正则杨盘T^［λ］_ig的基本对称算子、完全对称算子概念,同时给出了这些对称算子作用于任一Slater函数_i所产生的根态、生成态概念.由正交归一化杨盘T^［λ］_ie的纵置换算子A^［λ］_ie的构造规则,给出了A^［λ］_ie中存在的对称算子和确定T^［λ］_ie的等概率比对方法,从而基本避免了牵涉到许多算子的极其复杂的代数,给出了求解N值较大的电子系统杨盘基问题的新方法. 关键词： 正则杨盘 对称算子 根态 等概率比对方法     

Enhanced temperature-independent magnetoresistance below the metal-insulator transition temperature of epitaxial La0.2Nd0.4Ca0.4MnO3 thin films

Epitaxial La_0.2Nd_0.4Ca_0.4MnO₃ thin films have been deposited at 800°C on LaAlO₃ substrate using pulsed laser deposition technique. The structural and magnetotransport properties of the films have been studied. The sharp peak in the temperature dependence of the resistance corresponding to metal-to-insulator transition (T _p) has been observed at a temperature of T _p=82 K, 97 K and 110 K for 0 Oe, 20 kOe and 40 kOe magnetic fields, respectively. The film exhibits a large nearly temperature-independent magnetoresistance around 99% in the temperature regime below T _p. The zero field-cooled (ZFC) and field-cooled (FC) magnetization data at 50 Oe shows irreversibility between the ZFC and FC close to the ferromagnetic transition temperature T _c=250 K. The ZFC temperature data of the film displays ferromagnetic behavior for higher temperature regime T _c=250 K>T>T _p=82 K, and a decrease in magnetization with decreasing temperature up to 5 K below 82 K exhibiting a sort of antiferromagnetic behavior in the low temperature regime (T<82 K=T _p=T _N).     

Elliptic flow and the high <Emphasis Type="Italic">p</Emphasis><Subscript><Emphasis Type="Italic">T</Emphasis></Subscript> ridge in Au+Au collisions

In this paper we look for correlations between intermediate p _T particle pairs and the v ₂ of the remaining low p _T particles. We find that the shape of the flow vector distribution, which is calculated from all low p _T tracks, depends in a non-trivial way on the angular separation between the high p _T particle pairs in the event. Our analysis is based on 200 GeV Au+Au collisions measured with the STAR detector.     

Chiral Invariant Phase Space model

The CHIPS (CHiral Invariant Phase Space) model is used for approximation of the Drell-Yan process in hadron-nucleon interactions. It is proved that the Drell-Yan cross-section at low p _T ² is a function of only x₁ and x₂ and does not evolve as a function of the squared mass of the lepton pair M². The CHIPS model predicts that the Drell-Yan structure functions evolve as a function of p _T ² . This p _T ² evolution can be measured in experiments at RHIC and LHC.     

STAR inner tracking upgrade—a performance study

Anisotropic flow measurements have demonstrated development of partonic collectivity in 200 GeV Au+Au collisions at RHIC. To understand the partonic EOS, thermalization must be addressed. Collective motion of heavy-flavor (c, b) quarks can be used to indicate the degree of thermalization of the light-flavor quarks (u, d, s). Measurement of heavy-flavor quark collectivity requires direct reconstruction of heavy-flavor hadrons in the low p _T region. Measurement of open charm spectra to high p _T can be used to investigate heavy-quark energy loss and medium properties. The Heavy Flavor Tracker (HFT), a proposed upgrade to the STAR experiment at midrapidity, will measure v ₂ of open-charm hadrons to very low p _T by reconstructing their displaced decay vertices. The innermost part of the HFT is the PIXEL detector (made of two low mass monolithic active pixel sensor layers), which delivers a high precision position measurement close to the collision vertex. The Intermediate Silicon Tracker (IST), a 1-layer strip detector, is essential to improve hit identification in the PIXEL detector when running at full RHIC-II luminosity. Using a full GEANT simulation, open charm measurement capabilities of STAR with the HFT will be shown. Its performance in a broad p _T range will be demonstrated on v ₂ (p _T>0.5 GeV/c) and R _CP (p _T<10 GeV/c) measurements of D⁰ meson. Results of reconstruction of Λ_C baryon in heavy-ion collisions are presented.