The oxidation characteristics of furan derivatives and binary TPGME blends under engine relevant conditions

Furan and its derivatives have been receiving attention as next generation alternative fuels, related to advanced bio-oil production. However, the ignition quality of furans allows their use only as an additive to diesel fuel in CI engines, which potentially requires the continued use of a fossil-derived base fuel. This study first adopts tri-propylene glycol mono-methyl ether (TPGME) as a substitute for diesel fuel with addition of furan and furan derivatives, including 2-methylfuran, 2,5-dimethylfuran, and furfural, thereby removing fossil-derived fuels from the mixture. With this motivation, gas-phase ignition characteristics of furans were investigated in a modified CFR motored engine, displaying an absence of low temperature heat release (LTHR), while n-heptane as a reference fuel shows a strong two-stage ignition characteristic under the same condition. The structural impact of furans is represented as global oxidation reactivities that are as follows: furan?<?2-methylfuran?<?2,5-dimethylfuran?<?furfural?<?n-heptane. The ranking of individual furans is supported by bond dissociation energies of each fuel's functional group substituent on the furan-ring. Ignition characteristics of TPGME display a strong low-temperature oxidation reactivity; however, its reactivity rapidly diminishes with increasing amounts of furan, shutting down low-temperature oxidation paths. The structural impact of furan and methyl-substituted furans on reactivity is significantly muted when blended with TPGME, as observed in a motored CFR engine and a constant volume spray combustion chamber.     

Autoignition of varied cetane number fuels at low temperatures

The reactivity of six kerosene based control fuels, specifically formulated for cetane number variation, are investigated by measuring ignition delay time in a heated rapid compression machine. Cetane numbers vary from 30 to 55 (increment of 5) while holding other properties relatively constant by adjusting chemical group composition. Main cetane variation was controlled through the distribution of normal alkanes and isoalkanes, which was fine-tuned using additives. Other fuel properties such as density, viscosity, H/C ratio, etc. were balanced using cyclic compounds and aromatics. Fuels were tested in the RCM at compressed pressures of P_c=?10 and 20?bar, equivalence ratios of ??=?0.25, 0.5 and 1.0, in the low to intermediate temperature range (620?K?≤?T_c?≤?730?K). Relations between cetane number and ignition delay time have been evaluated at multiple test conditions, and further analysis on multistage ignition has been conducted. Ignition delay times of fuels with higher cetane numbers are shorter at these temperatures for most conditions. First stage ignition delay time measurements have been observed to be relatively insensitive to P_c, ?, and fuel type, while deviations in overall ignition delay times are mainly attributed to second stage ignition delay time, impacted by variations in the first stage temperature. Control fuels of this type offer an opportunity to be used in practical experiments to determine the impact of cetane number on combustion dynamics.     

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.     

Experimental and modeling study of the autoignition characteristics of commercial diesel under engine-relevant conditions

Knowledge of the autoignition characteristics of diesel fuels is of great importance for understanding the combustion performance in engines and developing surrogate fuels. Here ignition delays of China's stage 6 diesel, a commercial fuel, were measured in a heated rapid compression machine (RCM) under engine-relevant conditions. Gas-phase autoignition experiments were carried out at equivalence ratios ranging from 0.37 to 1.0, under compressed pressures of 10, 15, and 20?bar, and within a temperature range of 685–865?K. In all investigated conditions, negative temperature coefficient (NTC) behavior of the total ignition delays is observed. The autoignition of the diesel fuel exhibits pronounced two-stage characteristics with strong low-temperature reactivity. Experimental results indicate that the total ignition delays shorten with increasing compressed pressure, oxygen mole fraction and fuel mole fraction. The first-stage ignition delays are mainly controlled by compressed temperature and also affected by oxygen mole fraction and compressed pressure but show a very weak dependence on fuel mole fraction. Correlations describing the first-stage ignition delay and the total ignition delay were proposed to further clarify the ignition delay dependence on the multiple factors. Additionally, it is found that the newly measured ignition delays well coincide with and complement the diesel ignition data in the literature. A recently developed diesel mechanism was used to simulate the diesel autoignition on the RCM. The simulation results are found to agree well the experimental measurements over the whole temperature ranges. Species concentration analysis and brute force sensitivity analysis were also conducted to identify the crucial species and reactions controlling the autoignition of the diesel fuel.     

An experimental and modeling study of the autoignition of 3-methylheptane

An experimental and kinetic modeling study of the autoignition of 3-methylheptane, a compound representative of the high molecular weight lightly branched alkanes found in large quantities in conventional and synthetic aviation kerosene and diesel fuels, is reported. Shock tube and rapid compression machine ignition delay time measurements are reported over a wide range of conditions of relevance to combustion engine applications: temperatures from 678 to 1356 K; pressures of 6.5, 10, 20, and 50 atm; and equivalence ratios of 0.5, 1.0, and 2.0. The wide range of temperatures examined provides observation of autoignition in three reactivity regimes, including the negative temperature coefficient (NTC) regime characteristic of paraffinic fuels. Comparisons made between the current ignition delay measurements for 3-methylheptane and previous results for n-octane and 2-methylheptane quantifies the influence of a single methyl substitution and its location on the reactivity of alkanes. It is found that the three C₈ alkane isomers have indistinguishable high-temperature ignition delay but their ignition delay times deviate in the NTC and low-temperature regimes in correlation with their research octane numbers. The experimental results are compared with the predictions of a proposed kinetic model that includes both high- and low-temperature oxidation chemistry. The model mechanistically explains the differences in reactivity for n-octane, 2-methylheptane, and 3-methylheptane in the NTC through the influence of the methyl substitution on the rates of isomerization reactions in the low-temperature chain branching pathway, that ultimately leads to ketohydroperoxide species, and the competition between low-temperature chain branching and the formation of cyclic ethers, in a chain propagating pathway.     

Influence of intermediate temperature heat release on autoignition reactivity of single-stage ignition fuels with varying octane sensitivity

This study investigates the effects of intermediate temperature heat release (ITHR) on autoignition reactivity of full boiling range gasolines with different octane sensitivity through intake temperature and simulated exhaust gas recirculation (EGR) sweeps in a homogenous charge compression ignition (HCCI) engine. To isolate the ITHR effects, low temperature reactivity was suppressed through the use of high intake temperature and low intake oxygen mole fraction. For quantification of ITHR, a new method was applied to the engine data by examining the maximum value of the second derivative of heat release rate. Combustion phasing comparisons of fuels with octane sensitivity showed that fuel with less octane sensitivity became more reactive as intake temperature and simulated EGR ratio decreased, while fuel with higher octane sensitivity had a reverse trend. For all of the fuels that were tested, the amount of ITHR increased as the intake temperature and oxygen mole fraction increased. These ITHR trends, depending on octane sensitivity, were almost identical with the trends of combustion phasing, showing that ITHR significantly affects fuel autoignition reactivity and determines octane sensitivity.     

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.     

Probabilistic modeling of forced ignition of alternative jet fuels

Fast and reliable high altitude re-ignition is a critical requirement for the development of alternative jet fuels (AJFs). To achieve stable combustion, a spark kernel needs to transit in a partially or fully extinguished flow to develop a flame front. Understanding the relight characteristics of the AJFs is complicated by the chaoticity of the turbulent flow and variations in the spark properties. The focus of this study is the prediction of such characteristics by high-fidelity simulations, with a specific focus on fuel composition effect on the ignition process. For this purpose, a previously developed computational framework is applied, which utilizes high-fidelity LES simulations, a hybrid tabulation approach for modeling forced ignition and detailed quantification of uncertainty resulting from initial and boundary conditions to predict ignition probability. The method is applied to two alternative fuels (named C1 and C5) and Jet-A fuel (named A2) under gaseous conditions. Results show that the mixing of kernel and fuel–air mixture is not affected by the ignition process, but chemistry effects strongly dominate ignition probability. In particular, C1 exhibits much lower ignition probability than the other two fuels, especially at lean operating conditions. More importantly, this behavior is contradictory to ignition delay experiments which predict longer delay times for C5 compared to C1. Comparisons with experiments show that the comprehensive modeling approach captures the ignition trends. Analysis of kernel trajectories in composition space shows that the variations are caused by the relative effects of kernel mixing, response to strain, and ignition properties of the fuel.     

Impact of nitric oxide on n-heptane and n-dodecane autoignition in a new high-pressure and high-temperature chamber

A New One Shot Engine (NOSE) was designed to simulate the thermodynamic conditions at High Pressure-High Temperature like an actual common-rail diesel engine in order to study the compression ignition of spray. The volume of the combustion chamber provided with large optical windows simplified the implementation of various optical diagnostics. The advantage of this kind of set-up in comparison to pre-burn or flue chambers is that the initial gas mixture can be well controlled in terms of species and mole fraction. The purpose of this work was to investigate the impact of nitric oxide (NO) on ignition delay (ID) for two fuels with different cetane numbers: n-heptane, and n-dodecane. In the thermodynamic conditions chosen (60?bar and over 800–900?K), NO had a strong effect on ID, with increases in NO tending to reduce the ignition delay. Results showed that ID and Lift-Off Length (LOL) presented the same trend as a function of temperature and NO concentration. Experimentally, at 900?K the ignition of n-dodecane was promoted by NO up to 100?ppm, whilst higher NO levels did not further promote ignition and a stabilization of the value has been noticed. For n-heptane, stronger promoting effects were observed in the same temperature conditions: the ignition delays were monotonically reduced with up to 200?ppm NO addition. At a lower temperature (800?K) the inhibiting effect was observed for n-dodecane for [NO] greater than 40?ppm, whereas only a promoting effect was observed for n-heptane. The experimental results of LOL showed that NO shortened LOL in almost all cases, and this varied with both the NO concentration and the mixture temperature. Thus, fuels with shorter ignition delays produce shorter lift-off lengths.     

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.     

Dynamics of triple-flames in ignition of turbulent dual fuel mixture: A direct numerical simulation study

Pilot-ignited dual fuel combustion involves a complex transition between the pilot fuel autoignition and the premixed-like phase of combustion, which is challenging for experimental measurement and numerical modelling, and not sufficiently explored. To further understand the fundamentals of the dual fuel ignition processes, the transient ignition and subsequent flame development in a turbulent dimethyl ether (DME)/methane-air mixing layer under diesel engine-relevant conditions are studied by direct numerical simulations (DNS). Results indicate that combustion is initiated by a two-stage autoignition that involves both low-temperature and high-temperature chemistry. The first stage autoignition is initiated at the stoichiometric mixture, and then the ignition front propagates against the mixture fraction gradient into rich mixtures and eventually forms a diffusively-supported cool flame. The second stage ignition kernels are spatially distributed around the most reactive mixture fraction with a low scalar dissipation rate. Multiple triple flames are established and propagate along the stoichiometric mixture, which is proven to play an essential role in the flame developing process. The edge flames gradually get close to each other with their branches eventually connected. It is the leading lean premixed branch that initiates the steady propagating methane-air flame. The time required for the initiation of steady flame is substantially shorter than the autoignition delay time of the methane-air mixture under the same thermochemical condition. Temporal evolution of the displacement speed at the flame front is also investigated to clarify the propagation characteristics of the combustion waves. Cool flame and propagation of triple flames are also identified in this study, which are novel features of the pilot-ignited dual fuel combustion.     

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.     

Ignition behaviors of primary reference fuels in a rapid compression machine under vortex-existing/minimized conditions

Knock is one of the main obstacles to improving the thermal efficiency of spark-ignition internal combustion engines. Although knock has been widely studied and accepted as a result of end-gas auto-ignition, the fundamentals regarding auto-ignition behaviors are still not fully revealed. In this study, the ignition behaviors of primary reference fuels were investigated in an optical rapid compression machine equipped with a quartz combustion chamber allowing for visualizing the combustion process from the lateral view. By combining both the lateral view and the top view photography, ignition behaviors under vortex-existing conditions with a creviced piston and vortex-minimized conditions with a flat piston were comprehensively analyzed to reveal the impact of the vortex on the ignition behaviors of PRF fuels. The influence of fuel reactivity was also investigated. The results showed that mild ignition was prevalent under large Da* numbers. The occurrence of mild ignition was closely related to the ignition delay time of the mixture, and the critical ignition delay time was not fixed but decreased with increasing initial temperature. The propensity of mild ignition could be boosted under vortex-existing conditions due to the increasing hotspot formation probability. Vortices were demonstrated to be capable of mitigating knock intensity via 1) the buffer effect of surrounding burned regions on the shock waves generated from surrounded unburnt pockets; 2) a larger burned mass fraction at the instant of the final ignition under vortex-existing conditions. The results also showed that strong ignition was more likely to occur under vortex-minimized conditions. Besides, higher fuel reactivity also could increase the probability of strong ignition occurrence. Compared with the creviced piston, the use of the flat piston could shift the ignition regime towards regions with higher Re_t and lower Da_t in the Da_t-Re_t diagram, where the strong ignition is less pronounced.     

Effects of pre-spark heat release on engine knock limit

It is well known that spark ignited engine efficiency is limited by end gas autoignition, commonly known as knock. This study focuses on a recently discovered phenomena, pre-spark heat release (PSHR) due to low-temperature chemistry, and its impact on knock behavior. Boosted operating conditions are more common as engines are downsizing and downspeeding in efforts to increase fuel economy and prone to PSHR. Experiments were prone at fixed fueling and air fuel ratio for a range of intake temperature that spanned the threshold for PSHR. It was found that when PSHR occurred, the knock-limited combustion phasing was insensitive to intake temperature; higher intake temperatures did not require retarded timings as it is usual. Inspection of the temperature–pressure history overlaid on ignition delay contours allow the results to be explained. The temperature rise from the low-temperature reactions moves the end gas state into the negative temperature coefficient (NTC) region, which terminates the heat release reactions. The end gas then resides in the long ignition delay peninsula, which inhibits knock.     

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.     

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.     

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

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

Two-stage autoignition and combustion mode evolution in boundary layer flows above a cold flat plate

Boundary layers are omnipresent in fundamental kinetic experimental facilities and practical combustion engines, which can cause ambiguity and misleading results in kinetic target acquisition and even abnormal engine combustion. In this paper, using n-heptane as a representative large hydrocarbon fuel exhibiting pronounced low-temperature chemistry (LTC), two-dimensional numerical simulation is conducted to resolve the transient autoignition phenomena affected by a boundary layer. We focus on the ignition characteristics and the subsequent combustion mode evolution of a hot combustible mixture flowing over a colder flat plate in an isobaric environment. For cases with autoignition occurring within the boundary layer, similarity is observed in the first-stage ignition as manifested by a constant temperature at all locations. The first-stage ignition is found to be rarely affected by heat and radical loss within the boundary layer. While for the main ignition event, an obvious dependence of ignition process on boundary layer thickness is identified, where the thermal-chemical process exhibits similarity at locations with similar boundary layer thickness, and the main ignition tends to first occur within the boundary layer at the domain end and generates a C-shape reaction front. It is found that sequential spontaneous autoignition is the dominant subsequent combustion mode at high-pressure conditions. At low to intermediate pressures, auto-ignition assisted flame propagation is nevertheless the dominant mode for combustion evolution. This research identifies novel features of autoignition and the subsequent combustion mode evolution affected by a cold, fully developed boundary layer, and provides useful guidance to the interpretation of abnormal combustion and combustion mode evolution in boundary layer flows.     

Influence of NOx chemistry on the prediction of natural gas end-gas autoignition in CFD engine simulations

Natural gas (NG) represents a promising low-cost/low-emission alternative to diesel fuel when used in high-efficiency internal combustion engines. Advanced combustion strategies utilizing high EGR rates and controlled end-gas autoignition can be implemented with NG to achieve diesel-like efficiencies; however, to support the design of these next-generation NG ICEs, computational tools, including single- and multi-dimensional simulation packages will need to account for the complex chemistry that can occur between the reactive species found in EGR (including NOx) and the fuel. Research has shown that NOx plays an important role in the promotion/inhibition of large hydrocarbon autoignition and when accounted for in CFD engine simulations, can significantly improve the prediction of end-gas autoignition for these fuels. However, reduced NOx-enabled NG mechanisms for use in CFD engine simulations are lacking, and as a result, the influence of NOx chemistry on NG engine operation remains unknown. Here, we analyze the effects of NOx chemistry on the prediction of NG/oxidizer/EGR autoignition and generate a reduced mechanism of a suitable size to be used in engine simulations. Results indicate that NG ignition is sensitive to NOx chemistry, where it was observed that the addition of EGR, which included NOx, promoted NG autoignition. The modified mechanism captured well all trends and closely matched experimentally measured ignition delay times for a wide range of EGR rates and NG compositions. The importance of C2-C3 chemistry is noted, especially for wet NG compositions containing high fractions of ethane and propane. Finally, when utilized in CFD simulations of a Cooperative Fuels Research (CFR) engine, the new reduced mechanism was able to predict the knock onset crank angle (KOCA) to within one crank angle degree of experimental data, a significant improvement compared to previous simulations without NOx chemistry.     

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.