Laminar burning velocity and ignition delay time for premixed isooctane–air flames with syngas addition

The effects of blending syngas in different proportions to isooctane on the laminar burning velocity and ignition delay time of the fuel–air mixture have been studied in SI engine relevant conditions. The syngas is assumed to be composed of 50% H₂ and 50% CO. Simulations have been carried out using a skeletal mechanism containing 143 species and 643 reaction steps. It has been found that the blending of syngas augments the laminar burning velocity of isooctane due to increase of the thermal diffusivity of the reactant mixture and alteration in the chemistry of the flame reactions. For the mixture of 30% isooctane/70% syngas, the laminar burning velocity and the ignition delay time values are very close to those corresponding to pure isooctane. Additionally, the effects of exhaust gas recirculation have been explored for the 30% isooctane/70% syngas–air flame. It is seen that the reduction in laminar burning velocity due to the dilution by the recirculated exhaust gas can be compensated by an increase in the unburnt gas temperature. The effect of the exhaust gas dilution on the ignition delay time of 30% isooctane/70% syngas–air mixture has been found to be negligible.     

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.     

Effects of isoalcohol blending with gasoline on autoignition behavior in a rapid compression machine: Isopropanol and isobutanol

Alcohols, and particularly isoalcohols, are potentially advantageous blendstocks towards achieving efficient, low-carbon intensity internal combustion engines. Their use in advanced configurations, such as boosted spark-ignition or spark-assisted compression ignition, requires a comprehensive understanding of their blending effects on the low- and intermediate-temperature autoignition behavior of petroleum-derived gasoline. This work reports an experimental and modeling study of such autoignition characteristics quantified in a twin-piston rapid compression machine. Isopropanol and isobutanol are blended into a research-grade gasoline (FACE-F) at oxygenate blend levels of 0 to 30% vol/vol, with tests conducted at pressures of 20 and 40 bar, temperatures from 700 to 1000 K, and dilute stoichiometric fuel loadings. Changes to overall reactivity, including first-stage and main ignition times, and preliminary exothermicity are established, with comparisons made to previous measurements with ethanol-blended FACE-F gasoline.It is found that at low-temperature/NTC conditions (700–860 K) the isoalcohols suppress first-stage reactivity and associated heat release while main ignition times are extended. At NTC/intermediate-temperature (860–1000 K) conditions changes to fuel reactivity are less significant with isopropanol slightly suppressing reactivity and isobutanol promoting ignition. Detailed chemical kinetic modeling is used to interpret the experimental measurements. Overall trends of suppression or promotion in the blending behavior are reasonably captured by the model. Sensitivity and rate of production analyses indicate that at lower temperatures H-atom abstraction reactions from the surrogate fuel molecules (e.g., cyclopentane, isooctane) and the isoalcohols via ?H are important leading to TC3H6OH and IC4H8OH–C radicals, for isopropanol and isobutanol respectively, which act as scavengers in the system. At higher temperatures, similar chemistries are dominant, but there is an increasing importance of abstraction by HO₂. The kinetic modeling also indicates that the promoting effect of isobutanol at higher temperatures is due to the increased abstractions at the γ-sites, while at lower temperatures abstraction at the α-site leads to greater reactivity suppression.     

Characterization of the effects of pressure and hydrogen concentration on laminar burning velocities of methane–hydrogen–air mixtures

The aim of the present work was to characterize both the effects of pressure and of hydrogen addition on methane/air premixed laminar flames. The experimental setup consists of a spherical combustion chamber coupled to a classical shadowgraphy system. Flame pictures are recorded by a high speed camera. Global equivalence ratios were varied from 0.7 to 1.2 for the initial pressure range from 0.1 to 0.5 MPa. The mole fraction of hydrogen in the methane + hydrogen mixture was varied from 0 to 0.2. Experimental results were compared to calculations using a detailed chemical kinetic scheme (GRIMECH 3.0). First, the results for atmospheric laminar CH₄/air flames were compared to the literature. Very good agreements were obtained both for laminar burning velocities and for burned gas Markstein length. Then, increasing the hydrogen content in the mixture was found to be responsible for an increase in the laminar burning velocity and for a reduction of the flame dependence on stretch. Transport effects, through the reduction of the fuel Lewis number, play a role in reducing the sensitivity of the fundamental flame velocity to the stretch. Finally, when the pressure was increased, the laminar burning velocity decreased for all mixtures. The pressure domain was limited to 0.5 MPa due to the onset of instabilities at pressures above this value.     

Development of a reduced chemical kinetic mechanism for a gasoline surrogate for gasoline HCCI combustion

A reduced chemical kinetic mechanism consisting of 48 species and 67 reactions is developed and validated for a gasoline surrogate fuel. The surrogate fuel is modeled as a blend of iso-octane, n-heptane, and toluene. The mechanism reduction is performed using sensitivity analysis, investigation of species concentrations, and consideration of the main reaction path. Comparison between ignition delay times calculated using the proposed mechanism and those obtained from shock tube data show that the reduced mechanism can predict delay times with good accuracy at temperatures above 1000 K. The mechanism can also predict the two-stage ignition at the moment of ignition. A rapid compression machine (RCM) is designed to measure ignition delay times of gasoline and gasoline surrogates at temperatures between 890 and 1000 K. Our experimental results suggest that a new gasoline surrogate that has a different mixture ratio than previously defined surrogates is the most similar to gasoline. In addition, the reduced mechanism is validated for the RCM experimental conditions using CFD simulations.     

Simulation-driven formulation of transportation fuel surrogates

An alternative way to formulate transportation fuel surrogates using model predictions of gas-phase combustion targets is explored and compared to conventional approaches. Given a selection of individual fuel components, a multi-component chemical mechanism describing their oxidation kinetics, and a database of experimental measurements for key combustion quantities such as ignition delay times and laminar burning velocities, the optimal fractional amount of each fuel is determined as the one yielding the smallest error between experiments and model predictions. Using a previously studied three-component jet fuel surrogate containing n-dodecane, methyl-cyclohexane, and m-xylene as a case study, this article investigates in a systematic manner how the surrogate composition affects model predictions for ignition delay time and laminar burning velocities over a wide range of temperature, pressure and stoichiometry conditions, and compares the results to existing surrogate formulation techniques, providing new insights on how to define surrogates for simulation purposes. Finally, an optimisation algorithm is described to accelerate the identification of optimal surrogate compositions in this context.     

Nonpremixed ignition of H2/air in a mixing layer with a vortex

The ignition of a laminar non-premixed H₂/air mixing layer with an embedded vortex was computationally studied with detailed chemistry and transport. The initial vortex velocity and pressure fields were specified based on the stream function of an incompressible nonviscous vortex. The fuel side is pure hydrogen at 300 K, and the oxidizer side is air at 2000 K. The vortex evolution process was found to consist of two ignition events. The first ignition occurs in a diffusion mode with chain branching reactions dominating. The second ignition takes place in the premixed mode, with more chemical reactions involved, and is significantly affected by the heat and species generated in the first ignition event. The coupling between the most reactive mixture fraction and scalar dissipation rate was verified to be crucial to the ignition delay. The effects of the vortex strength, characteristic size, and its center location were individually investigated. For all vortex cases, the ignition delay was shorter than that of the 1D case. Furthermore, the ignition delay has a nonmonotonic dependence on all the vortex parameters.     

Ignition delay measurements of four component model gasolines exploring the impacts of biofuels and aromatics

This study explores the impacts of combinations of biofuel (ethanol, isobutanol and 2-methyl furan) and aromatic (toluene) compounds in a four component fuel blend, at fixed research octane number (RON) on ignition delay measured in an advanced fuel ignition delay analyzer (AFIDA 2805). Ignition delay measurements were performed over a range of temperatures from 400 to 725 °C (673 to 998 K) and two chamber pressures of 10 and 20 bar. The four component mixtures are compared to primary reference fuels at RON values of 90 and 100. The ignition delay measurements show that as the aromatic and biofuel concentrations increased, two stage ignition behavior was suppressed, at both initial chamber pressures. But both RON 100 (isooctane) and RON 90 reference fuels showed two stage ignition behavior, as did fuel mixtures with low biofuel and aromatic content. RON 90 fuels showed stronger two stage ignition behavior than RON 100 fuels, as expected. Depending on the type of biofuel in the mixture, the ignition delay at low chamber temperatures could be far greater than for the reference fuels. In particular, for the RON 100 mixtures at either 10 or 20 bar initial chamber pressure, the ignition delay at 400 °C (673 K) for the high level blend of 2-methyl furan and toluene (30 vol% of each) exhibited an ignition delay that was 10 times longer than for neat isooctane. The results show the strong non-linear octane blending response of these three biofuel compounds, especially in concert with the kinetic antagonism that toluene is known to display in mixtures with isooctane. These results have implications for the formulation of biofuel mixtures for spark ignition and advanced compression ignition engines, where this non-linear octane blending response could be exploited to improve knock resistance, or modulate the autoignition process.     

An experimental investigation on pre-ignition phenomena: Emphasis on the role of turbulence

Pre-ignition is an undesirable ignition event that affects chemical kinetic measurements in chemical reactors. Meanwhile, it appears randomly in engineering systems and is highly relevant to the soft knock or much stronger and detrimental super-knock in modern downsized engines. Currently its origins are still not fully understood. In this study, the role of turbulence in pre-ignition phenomena was experimentally investigated using a novel rapid compression machine. Different turbulent flow fields were achieved through calibrated orifice plates. Stoichiometric isooctane/air mixtures were tested under engine-relevant conditions in a target pressure range of 15–50 bar and a temperature range of 720–860 K. Useful insights into pre-ignition mechanism were obtained by combining instantaneous pressure acquisition with simultaneously recorded high-speed imaging. The experimental results demonstrate that owning to turbulent mixing with colder boundary layers, ignition timing is delayed when compared to ideal homogeneous compression ignition scenarios. However, pre-ignition phenomena can still be observed and become pronounced at lower target pressures with longer ignition delays. Moreover, pre-ignition formation can be characterized by single or multiple spherical flame kernels, distributed discretely inside core mixture or at near-wall regions. Different from the auto-ignition scenarios dominated by the chemical reactivity of test mixture, these pre-ignition flame kernels feature standard deflagration propagation. Finally, a dimensionless scaling analysis shows that pre-ignition formation is closely associated with turbulent length scale and laminar flame thickness.     

An improved detailed chemical kinetic model for C3-C4 linear and iso-alcohols and their blends with gasoline at engine-relevant conditions

Propanol and butanol isomers have received significant research attention as promising fuel additives or neat biofuels. Robust chemical kinetic models are needed that can provide accurate and efficient predictions of combustion performance across a wide range of engine relevant conditions. This study seeks to improve the understanding of ignition and combustion behavior of pure C3-C4 linear and iso-alcohols, and their blends with gasoline at engine-relevant conditions. In this work, a kinetic model with improved thermochemistry and reaction kinetics was developed based on recent theoretical calculations of H-atom abstraction and peroxy radical reaction rates. Kinetic model validations are reported, and the current model reproduces the ignition delay times of the C3 and C4 alcohols well. Variations in reactivity over a wide range of temperatures and other operating conditions are also well predicted by the current model. Recent ignition delay time measurements from a rapid compression machine of neat iso-propanol and iso-butanol [Cheng et al., Proc. Combust Inst. (2020)] and blends with a research grade gasoline [Goldsborough et al., Proc. Combust Inst. (2020)] at elevated pressure (20–40 bar) and intermediate temperatures (780–950 K) were used to demonstrate the accuracy of the current kinetic model at conditions relevant to boosted spark-ignition engines. The effects of alcohol blending with gasoline on the autoignition behavior are discussed. The current model captures the suppression of reactivity in the low-temperature and negative-temperature-coefficient (NTC) region when either isopropanol and isobutanol are added to a research grade gasoline. Sensitivity and reaction flux analysis were performed to provide insights into the relevant fuel chemistry of the C3-C4 alcohols.     

Studies of autoignition-assisted nonpremixed cool flames

Autoignition-assisted nonpremixed cool flames of diethyl ether (DEE) are investigated in both laminar counterflow and turbulent jet flame configurations. First, the ignition and extinction limits of laminar nonpremixed cool flames of diluted DEE are measured and simulated using detailed kinetic models. The laminar flame measurements are used to validate the kinetic models and guide the turbulent flame measurements. The results show that, below a critical mixture condition, for elevated temperature and dilute mixtures, the cool flame extinction limit and the low-temperature ignition limit merge, leading to autoignition-assisted cool flame stabilization without hysteresis. Based on the findings from the laminar flame experiments, autoignition-assisted turbulent lifted cool flames are established using a Co-flow Axisymmetric Reactor-Assisted Turbulent (CARAT) burner. The lift-off heights of the turbulent cool flames are quantified using formaldehyde planar laser-induced fluorescence. Based on an analogy with autoignition-assisted lifted hot flames, a correlation is proposed such that the autoignition-assisted cool flame lift-off height scales with the product of the flow velocity and the square of the first-stage ignition delay time. Using this scaling, we demonstrate that the kinetic mechanism that most accurately predicts the laminar flame ignition and extinction limits also best predicts the turbulent cool flame lift-off height.     

The localised forced ignition and early stages of flame development in a turbulent planar jet

The localised forced ignition and the early stages of the subsequent flame propagation in a planar turbulent methane/air jet in ambient air have been simulated using Direct Numerical Simulation (DNS) and a two-step chemical mechanism. Sixteen identical energy depositions events were simulated for four independent flow realisations at four different locations. The successful ignition and subsequent flame propagation have been found to be well correlated to the mean mixture fraction and flammability factor values of the energy deposition location. Furthermore, similarly to what has been observed in experiments, the early stages of flame development from the ignition kernel involved initial downstream convection of the kernel, followed by simultaneous radial expansion and downstream propagation and finally the upstream propagation of the flame base indicating the onset of flame stabilisation. The mixture composition and the scalar dissipation rate (SDR) values in the immediate vicinity of the ignitor have been identified to play key roles in determining the outcome of the external energy deposition, while the development of an edge flame structure propagating along the stoichiometric mixture fraction iso-surface was found to be necessary but not sufficient for the flame to propagate upstream. It has also been found that in the case of successful self-sustained burning, the edge flame was developing in low SDR regions, and that the most probable edge flame speed remains close to the theoretical laminar value irrespective of the flame development history. Finally, the mean flame speed of the edge flame elements propagating towards the nozzle exit has been found to be considerably greater than the unstrained laminar burning velocity. Thus, the edge flame, depending on its orientation with respect to the flow, is able to propagate upstream and initiate the onset of flame stabilisation.     

Insight into fuel isomeric effects on laminar flame propagation of pentanones

Laminar flame propagation was investigated for pentanone isomers/air mixtures (3-pentanone, 2-pentanone and 3-methyl-2-butanone) in a high-pressure constant-volume cylindrical combustion vessel at 393–423 K, 1–10 atm and equivalence ratios of 0.6–1.5, and in a heat flux burner at 393 K, 1 atm and equivalence ratios of 0.6–1.5. Two kinds of methods generally show good agreement, both of which indicate that the laminar burning velocity increases in the order of 3-methyl-2-butanone, 2-pentanone and 3-pentanone. A kinetic model of pentanone isomers was developed and validated against experimental data in this work and in literature. Modeling analysis was performed to provide insight into the flame chemistry of the three pentanone isomers. H-abstraction reactions are concluded to dominate fuel consumption, and further decomposition of fuel radicals eventually produces fuel-specific small radicals. The differences in radical pools are concluded to be responsible for the observed fuel isomeric effects on laminar burning velocity. Among the three pentanone isomers, 3-pentanone tends to produce ethyl and does not prefer to produce methyl and allyl in flames, thus it has the highest reactivity and fastest laminar flame propagation. On the contrary, 3-methyl-2-butanone tends to produce allyl and methyl instead of ethyl, and consequently has the lowest reactivity and slowest laminar flame propagation.     

An experimental and numerical investigation to characterize the low-temperature heat release in stoichiometric and lean combustion

This work reports on an experimental and modeling study on the low-temperature heat release (LTHR) characteristics for three RON 90 binary blends (n-heptane blended with isooctane, toluene and ethanol) in a Cooperative Fuel Research (CFR) engine at lean and stoichiometric conditions that are representative of homogeneous charge compression ignition (HCCI) and spark-ignition (SI) end-gas combustion conditions, respectively. An analysis of the end-gas temperature-pressure (T-P) trajectories was performed to identify the intake conditions leading to similar T-P trajectories between the two lambdas for each fuel blend. A heat release analysis was then conducted for the identified cases, where fuel-to-fuel differences in LTHR were identified and found to be sensitive to the operating condition. Simulations were conducted for these cases using a recently updated chemical kinetic model and a 0-D engine model, where good qualitative and reasonable quantitative agreements in LTHR were obtained. Sensitivity analysis was also performed directly on the rates of LTHR, to understand the controlling chemical reactions of LTHR, providing further insights into the fuel-to-fuel differences. The results demonstrate the significant promoting effect of n-heptane on LTHR rates, while inhibiting effects were seen for ethanol and toluene. Also highlighted was the importance of H-atom abstraction reactions from the chemistry of each fuel component, which could lead to contradictory fuel behavior depending on the locations of the H site of the abstraction reaction due to the different ensuing pathways for the primary fuel radicals.     

等离子体中活性粒子分析及化学动力学机理

利用发射光谱测量技术分析了介质阻挡放电等离子体激励空气产生的主要活性粒子,利用零维等离子体动力学模型模拟了甲烷/空气中放电阶段主要活性粒子的演化规律,并通过敏感性与化学路径分析研究了O原子影响甲烷点火过程的化学动力学机理。研究表明:空气中介质阻挡放电等离子体主要产生N2和O2的激发态粒子,激发态粒子的数密度随着电压的增加而增大;激发态粒子经过一系列物理化学反应最终转化成若干自由基,其中O原子的摩尔分数最大;O原子缩短甲烷点火延迟时间一个量级,原因在于添加O原子后甲基(CH3)的氧化途径由自点火过程中的经O2直接氧化为CH3O和CH2O转变为经HO2和O原子氧化为CH3O和CH2O,由于后者的基元反应速率快,因而明显缩短了点火延迟时间。     

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.     

Kinetic analysis of n-decane–hydrogen blend combustion in premixed and non-premixed supersonic flows

Numerical analysis of ignition and combustion of an n-decane–hydrogen fuel blend in a premixed supersonic flow and in a model scramjet duct is performed using a reduced reaction mechanism built especially to describe the oxidation of blended n-C₁₀H₂₂–H₂ fuel in air at the temperature T₀ > 900–1000 K in the pressure range P₀ = 0.1–13 atm. The developed kinetic mechanism involves the principal reactions responsible for chain mechanism development both for n-decane and for hydrogen oxidation. It has been shown that using blended n-C₁₀H₂₂–H₂ fuel makes it possible to enhance the ignition and combustion both in premixed and in non-premixed supersonic fuel–air flows compared to burning pure hydrogen–air and n-decane–air mixtures. This allows high combustion completeness in the scramjet duct at the distance of ～1 m even at extremely low air temperature T₀ = 1000 K and pressure P₀ = 0.3 atm. This is due to the interaction of kinetics of the formation of highly reactive atoms and radicals, carriers of chain mechanism, in H₂–air and n-C₁₀H₂₂–air mixtures.     

Understanding the synergistic blending octane behavior of 2-methylfuran

The autoignition kinetics of hydrocarbons is an important criterion for selecting fuels for piston reciprocating engines, and it can be determined by relative performance to mixtures of alkanes, n-heptane and iso-octane, under certain standardized operating conditions. 2-methylfuran is a potential biofuel candidate, whose autoignition chemistry is markedly different from alkanes. Its octane behavior when blended with paraffins also shows a marked difference. The blending octane behavior of a fuel is characterized by its Blending Octane Number (BON). The BON of 2-methylfuran was extensively characterized in this work. 2-methylfuran's BON was mapped from experimental ignition delay times measured in a constant volume combustion chamber using established correlations. The effect on BON was studied depending on the RON of the base fuel into which 2-methylfuran was blended, as well as the quantity of 2-methylfuran blended. BON of 2-methyfuran was greater than its RON by a factor of four or more for some blends studied. BON reduced with increasing RON of the base fuel, as well as with increasing quantity of 2-methylfuran blended. A chemical kinetic model was created by integration of well validated sub-models for the blend components, and then used to explain the chemical kinetics leading to the extremely high BON values of 2-methylfuran. The synergetic anti-knock blending effect of 2-methylfuran is partially due to its physical properties leading to a greater molar fraction per volume fraction in the blend compared to iso-octane. Analysis using chemical kinetic model revealed that the chemical action behind 2-methylfuran's blending octane behavior was due to its ability to quench OH radicals which are important to the low-temperature oxidation chemistry of alkanes. This quenching effect is achieved due to the more rapid reaction rate of 2-methylfuran with OH radical compared to iso-octane, followed by the immediate conversion of the adduct shifting the equilibrium towards the product.     

Exploring fuel isomeric effects on laminar flame propagation of butylbenzenes at various pressures

This work reports an experimental and kinetic modeling investigation on the laminar flame propagation of three butylbenzene isomers (n-butylbenzene, iso-butylbenzene and tert-butylbenzene)/air mixtures. The experiments were performed in a high-pressure constant-volume cylindrical combustion vessel at the initial temperature of 423 K, initial pressures of 1–10 atm, and equivalence ratios (?) of 0.7–1.5. The laminar burning velocities of butylbenzene/O₂/He mixtures were also measured at 423 K, 10 atm and ? = 1.5 to provide additional experimental data under conditions that the butylbenzene/air experiments are susceptible of cellular instability. Comparison among the laminar burning velocities of butylbenzenes including both the three isomers investigated in this work and sec-butylbenzene investigated in our recent work [Combust. Flame 211 (2020) 18–31] shows remarkable fuel isomeric effects, that is, iso-butylbenzene has the slowest laminar burning velocities, followed by n-butylbenzene and tert-butylbenzene, while sec-butylbenzene has the fastest laminar burning velocities. A kinetic model for butylbenzene combustion was developed to simulate the laminar flame propagation of butylbenzenes. Sensitivity analysis was performed to reveal important reactions in laminar flame propagation of butylbenzenes, including both small species reactions and fuel-specific reactions. Kinetic effects are concluded to result in the different laminar burning velocities of four butylbenzene isomers. Small species reactions control the laminar flame propagation under lean conditions, which results in small differences of laminar burning velocities. Chain termination reactions, especially fuel-specific reactions, have important contributions to inhibit the laminar flame propagation under rich conditions. The structural features of butylbenzene isomers can significantly affect the formation of some crucial radicals such as methyl, cyclopentadienyl and benzyl radicals under rich conditions, which leads to remarkable fuel isomeric effects on their laminar burning velocities, especially at high pressures.     

An experimental and modeling study on autoignition of 2-phenylethanol and its blends with n-heptane

2-Phenylethanol (2-PE) is an aromatic alcohol with high research octane number, high octane sensitivity, and a potential to be produced using biomass. Considering that 2-PE can be used as a fuel additive for boosting the anti-knocking quality of gasoline in spark-ignition engines and as the low reactivity fuel or fuel component in dual-fuel reactivity controlled compression ignition (RCCI) engines, it is of fundamental and practical interest to understand the autoignition chemistry of 2-PE, especially at low-to-intermediate temperatures (<1000 K). Based upon the experimental ignition delay time (IDT) results of neat 2-PE obtained from our previous rapid compression machine (RCM) investigation and the literature shock tube study, a detailed chemical kinetic model of 2-PE is developed herein, covering low-to-high temperature regimes. Besides, RCM experiments using binary fuel blends of 2-PE and n-heptane (nC7) are conducted in this work to investigate the nC7/2-PE blending effects, as they represent a dual-fuel system for RCCI operations. Furthermore, the newly developed 2-PE model is merged with a well-validated nC7 kinetic model to generate the current nC7/2-PE binary blend model. Overall, the consolidated model reasonably predicts the experimental IDT data of neat 2-PE and nC7/2-PE blends, as well as captures the experimental effects of pressure, equivalence ratio, and blending ratio on autoignition. Finally, model-based chemical kinetic analyses are carried out to understand and identify the controlling chemistry accounting for the observed blending effects in RCM experiments. The analyses reveal that nC7 enhances 2-PE autoignition via providing extra ȮH radicals to the shared radical pool, while the diminished nC7 promoting effect on 2-PE autoignition with increasing temperature is due to the negative temperature coefficient characteristics of nC7.