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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Experimental and Numerical Study on the Effect of Nitric Oxide on Autoignition and Knock in a Direct-Injection Spark-Ignition Engine

We report Nitric Oxide (NO) can significantly influence the autoignition reactivity and this can affect knock limits in conventional stoichiometric SI engines. Previous studies also revealed that the role of NO changes with fuel type. Fuels with high RON (Research Octane Number) and high Octane Sensitivity (S = RON – MON (Motor Octane Number)) exhibited monotonically retarding knocklimited combustion phasing (KL-CA50) with increasing NO. In contrast, for a high-RON, low-S fuel, the addition of NO initially resulted in a strongly retarded KL-CA50 but beyond the certain amount of NO, KL-CA50 advanced again. The current study focuses on same high-RON, low-S Alkylate fuel to better understand the mechanisms responsible for the reversal in the effect of NO on KLCA50 beyond a certain amount of NO. Experiments were conducted to measure the responses of KL-CA50 and trace-autoignition CA50, the latter being indicative of CA50 at which end-gas autoignition starts to become measurable from the apparent heat-release rate. Chemical-kinetics simulations were conducted to reveal the role of NO for end-gas autoignition, with a specific focus on sequential autoignition in a thermally stratified end-gas. The simulation results reveal that the magnitude of low-temperature heat release (LTHR) generally increases with NO. However, the relative importance of NO for enhancing LTHR diminishes when the LTHR inherent to a fuel’s chemistry is strong, such as at lower temperatures in a thermal boundary layer. This rendered more uniform LTHR within a hypothetical thermal boundary and led to a more sequential (i.e. slower) autoignition event. It was also revealed that a change in compression ratio influences the importance of intermediate-temperature heat release (ITHR) due to changes of the temperature-pressure history of the end-gas. Together with the condition where end-gas autoignition occurs more sequentially, the shorter time spent in LTHR and ITHR regime can counter the increase in autoignition reactivity at high NO levels and allow KLCA50 to advance

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

An experimental investigation of flame and autoignition behavior of propane

We report autoignition delay time data are one important means to develop, quantify, and validate fundamental understanding of combustion chemistry at low temperatures (T<1200 K). However, low-temperature chemistry often has higher uncertainties and scatter in the experimental data compared with high-temperature ignition data (T>1200 K). In this study, autoignition properties of propane and oxygen mixtures were investigated using the University of Michigan rapid compression facility in order to understand the effects of ignition regimes on low-temperature ignition data. For the first time for propane, autoignition delay times were determined from pressure histories, and autoignition characteristics were simultaneously recorded using highspeed imaging of the test section through a transparent end-wall. Propane mixtures with fuel-to-O 2 equivalence ratios of φ = 0.25 and φ = 0.5 and O 2 -to-inert gas molar ratios of 1:3.76 were studied over the pressure range of 8.9 to 11.3 atm and the temperature range of 930 – 1070 K. The results showed homogeneous or strong autoignition occurred for all φ = 0.25 experiments, and inhomogeneous or mixed autoignition occurred for all φ = 0.5 experiments. While a limited temperature range is covered in the study, importantly the data span predicted transitions in autoignition behavior, allowing validation of autoignition regime hypotheses. Specifically, the results agree well with strong-autoignition limits proposed based on the Sankaran Criterion. The autoignition delay time data at the strong-ignition conditions are in excellent agreement with predictions using a well-validated detailed reaction mechanism from the literature and a zerodimensional modeling assumption. However, the experimental data at the mixed autoignition conditions were systematically faster than the model predictions, particularly at lower temperatures (T< ~970 K). The results are an important addition to the growing body of data in the literature that show mixed autoignition phenomena are important sources of the higher scatter observed in the low-temperature autoignition data for propane and other fuels. The results are discussed in terms of different methods to capture the effects of pre-autoignition heat release associated with mixed autoignition conditions and thereby address some of the discrepancies between kinetic modeling and experimental measurements.

42 ENGINEERING↗
DOE OSTI2022

Influence of gasoline fuel formulation on lean autoignition in a mixed-mode-combustion (deflagration/autoignition) engine

We report stoichiometric spark-ignition engines suffer efficiency penalties due to throttling losses at low loads, a low specific-heat ratio of the stoichiometric working fluid, and limits on compression ratio due to end-gas autoignition leading to undesirable knocking. Mixed-Mode Combustion (MMC) mitigates these shortcomings by using a lean working fluid where a spark-initiated pilot-stabilized deflagrative flame front is followed by controlled end-gas autoignition. This MMC study investigates the effects of initial conditions (intake air temperature, intake pressure, equivalence ratio, and intake oxygen fraction) on autoignition tendency of four gasoline-range fuels with varying properties and composition. The use of fuels with varying octane sensitivity (S) allowed exploring the importance of low-temperature heat release in triggering autoignition. Fuels with high S were less reactive for conditions that promote low-temperature chemistry (operation at high intake air pressure or without N2 dilution). Conversely, an Alkylate fuel with low S showed a greater autoignition resistance at operating conditions that were unfavorable for low-temperature chemistry. Next, the effect of residual gas composition on autoignition tendency of fuels was examined with a chemical-kinetics model. Among the various molecules in the residual gas, nitric oxide (NO) enhanced the low-temperature chemistry and increased the autoignition tendency most significantly. The fuels’ autoignition response to increasing NO amount corroborates the experimental observations. Next, the sequential autoignition of the end-gas was assessed to be less impacted by thermal stratification because of lean mixtures showing relatively less low-temperature chemistry, when compared to stoichiometric mixtures. Next, the effect of changing equivalence ratio on the autoignition was found to be similar for all fuels, regardless of their S. With changing intake air temperature, the response of fuels’ autoignition tendency depended on the dilution level used. At high dilution (i.e. low intake [O2]), fuels’ reactivity increased with increasing intake air temperature. In contrast, for operation without dilution, the autoignition tendency of the low-S Alkylate fuel decreased with increasing intake air temperature, while that of high-S High Cycloalkane fuel still increased with increasing intake air temperature. In conclusion, conventional octane metrics (RON and MON) have utility in assessing the autoignition tendency under lean MMC operation. Moreover, the fuel requirements for MMC align with that of stoichiometric operation: i.e., high RON and high S fuels are desirable for stable non-knocking operation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Replicating HCCI-like autoignition behavior: What gasoline surrogate fidelity is needed?

This work seeks to characterize the fidelity needed in a gasoline surrogate with the intent to replicate the complex autoignition behavior exhibited within advanced combustion engines, and specifically Homogeneous Charge Compression Ignition (HCCI). A low-temperature gasoline combustion (LGTC) engine operating in HCCI mode and a rapid compression machine (RCM) are utilized to experimentally quantify fuel reactivity, through autoignition and preliminary heat release characteristics. Fuels considered include a research grade E10 U.S. gasoline (RD5-87), three multi-component surrogates (PACE-1, PACE-8, PACE-20), and a binary surrogate (PRF88.4). Each fuel was studied at lean/HCCI-like conditions covering a wide range of temperatures and pressures that are representative of naturally aspirated to high boost engine operation. Detailed chemical kinetic modeling is also undertaken using a recently updated gasoline surrogate kinetic model to simulate the RCM experiments and to provide chemical insight into surrogate-to-surrogate differences. The LGTC engine experiments demonstrate nearly identical reactivity between PACE-20 and RD5-87 across studied conditions, while faster phasing is seen for both PACE-1 and PACE-8 due to their stronger intermediate- and low-temperature heat release (ITHR/LTHR) at naturally aspirated and boosted conditions, respectively. The RCM experiments reveal typical low-temperature, negative temperature coefficient (NTC) and intermediate-temperature autoignition behaviors at all pressure conditions for RD5-87, which are qualitatively reproduced by all surrogates. Quantitative discrepancies in both autoignition and preliminary heat release are observed for all surrogates, while their ability to replicate RD5-87 autoignition behavior follows the order of PACE-20 > PACE-1 > PACE-8 > PRF88.4. Excellent mapping is obtained between the LGTC engine and the RCM, where the engine pressure-time trajectories can be characterized by the regimes represented by the RCM autoignition isopleths. The kinetic model performs commendably when simulating both autoignition and preliminary heat release of PACE-20, while typically overpredicting ignition delay times for PACE-1, PACE-8 and PRF88.4 at high-pressure and low-temperature/NTC conditions. Sensitivity and rate of production (ROP) analyses highlight surrogate-to-surrogate differences in the governing chemical kinetics where n-pentane initiates rapid OH branching at a faster rate and an earlier timing for PACE-20 than iso-pentane does for PACE-1 and PACE-8, making it computationally more reactive than the other surrogates. The current study highlights the need to include non-standardized properties, such as the lean/HCCI-like autoignition characteristics, in addition to ASTM properties (e.g., RON, MON) as metrics of fuel reactivity and targets to be matched when formulating high-fidelity surrogates that fully capture gasoline advanced combustion behavior such as HCCI-like autoignition.

42 ENGINEERING↗
DOE OSTI2021

Influence of NOx Chemistry on the Prediction of Natural Gas End-Gas Autoignition

Research on the influence of NOx (NO/NO2) chemistry on HC oxidation has shown that NOx plays an important role in the promotion/inhibition of HC autoignition [1-6]. Current data for n-heptane, iso-octane, ethanol, and toluene [3, 4] have shown that NO chemistry inhibits autoignition at low temperatures and concentrations. However, at medium and high temperatures and low concentrations, autoignition is promoted, decreasing the Negative Temperature Coefficient (NTC) effect. This autoignition promotion, however, becomes weaker as NO concentrations are increased. Additionally, fundamental kinetics studies have suggested that NOx chemistry also promotes the autoignition of smaller HC, such as CH4 [7-10], C2H6 [11-14], and C3H8 [15]. Additionally to the chemical kinetics studies, a growing body of evidence supports the importance of NOx chemistry on SI engine simulations [16, 17]. Foong et al. [18] suggested that the addition of NO in their models significantly improved the agreement between simulations and experiments where the onset of knock was advanced due to the presence of NO, and Morganti et al. [19] showed that NO addition in the residual-gas was necessary for their models to obtain good agreement with experimental data. Lastly, Mohr et al. [20, 21] investigated the effect of Natural Gas (NG) reactivity and EGR substitution rate and composition on homogeneous ignition delay, flame speeds, and EGAI for stoichiometric NG/oxidizer/EGR blends. They observed that the addition of EGR composed of only inert species (CO2 and Ar) suppressed homogeneous autoignition in all NG fuels tested under all conditions. However, for all NG fuels tested, increasing EGR rates with reactive species (Ar, CO2, CO, and NO) promoted homogeneous autoignition under all conditions, thus reproducing the same trends for various NG fuel compositions that were observed in other studies and fuels. For this reason, a study is being conducted to analyze the effects of NOx chemistry on the prediction of NG/air/EGR homogeneous autoignition. This study has been divided into two tasks. First, the addition of NOx chemistry to the ARIES82 mechanism [20] is being validated using homogeneous ignition delay data collected by Mohr [20, 21]. Second, once the new modified mechanism with NOx reactions has been validated, it will be employed on engine multi-dimensional modeling presented in [22, 23] to analyze the influence of NOx chemistry on NG EGAI. Results thus far have shown that homogeneous ignition delay calculations are sensitive to NOx chemistry, where the modified mechanisms captured well all trends and closely matched the homogeneous ignition delays observed by Mohr et al. Also, the results in this work suggest that NOx chemistry is necessary to correctly capture the trends in NG homogeneous autoignition when EGR with reactive species is used since the opposite behavior is observed when only inert species are considered for the EGR composition.

03 NATURAL GAS↗
NASA NTRS2009

Autoignition Chamber for Remote Testing of Pyrotechnic Devices

The autoignition chamber (AIC) performs by remotely heating pyrotechnic devices that can fit the inner diameter of the tube furnace. Two methods, a cold start or a hot start, can be used with this device in autoignition testing of pyrotechnics. A cold start means extending a pyrotechnic device into the cold autoignition chamber and then heating the device until autoignition occurs. A hot start means heating the autoignition chamber to a specified temperature, and then extending the device into a hot autoignition chamber until autoignition occurs. Personnel are remote from the chamber during the extension into the hot chamber. The autoignition chamber, a commercially produced tubular furnace, has a 230-V, single-phase, 60-Hz electrical supply, with a total power output of 2,400 W. It has a 6-in. (15.2-cm) inner diameter, a 12-in. (30.4-cm) outer diameter and a 12-in.- long (30.4-cm), single-zone, solid tubular furnace (element) capable of heating to temperatures up to 2,012 F (1,100 C) in air.

Harrington, Maureen L.↗
NASA NTRS1946

Relation Between Spark-Ignition Engine Knock, Detonation Waves, and Autoignition as Shown by High-Speed Photography

A critical review of literature bearing on the autoignition and detonation-wave theories of spark-ignition engine knock and on the nature of gas vibrations associated with combustion and knock results in the conclusion that neither the autoignition theory nor the detonation-wave theory is an adequate explanation of spark-ignition engine knock. A knock theory is proposed, combining the autoignition and detonation-wave theories, which introduces the idea that the detonation wave develops in autoignited or after-burning gases, and ascribes comparatively low-pitched heavy knocks to autoignition but high-pitched pinging knocks to detonation waves with the possibility of combinations of the two types of knocks. Analysis of five shots of knocking combustion, taken with the NACA high-speed motion-picture camera at the rate of 40,000 photographs per second reveals propagation speeds ranging from 3250 to more than 5500 feet per second. The range of propagation speeds from 3250 to more than 5500 feet per second is held to be considered with the proposed combined theory but not with either the simple autoignition theory or the simple detonation-wave theory.

Miller, Cearcy D↗
DOE OSTI2020

Autoignition of CRC diesel surrogates at low temperature combustion conditions: Rapid compression machine experiments and modeling

As federal programs require increasingly stringent engine emissions and fuel economy standards, these ambitions can only be met if next-generation combustion technology is developed focusing on high-efficiency and low-emissions engines. Recent research has indicated the need to operate engines at higher compression ratios and with low temperature combustion (LTC) to achieve the needed gains in engine efficiency and reductions in emissions. Because there is a lack of understanding of the chemistry of diesel fuel components and their mixtures at these LTC conditions, this limits the ability to develop predictive chemical kinetic models that can be used to optimize engine combustion. The current study aims to fill in gaps in fundamental combustion data on surrogate fuel mixtures relevant to diesel fuels. Specifically, four multicomponent diesel surrogates formulated by the Coordinating Research Council (CRC) to emulate an ultra-low-sulfur research-grade #2 certification diesel fuel (CFA), namely V0a (4 components), V0b (5 components), V1 (8 components), and V2 (9 components), have been investigated in a rapid compression machine (RCM) through determination of total and first-stage ignition delay times. Autoignition characteristics of lean to rich fuel/O 2 /N 2 mixtures, for the four CRC surrogates and CFA, have been measured using an RCM at LTC relevant pressures and temperatures, in the ranges of 10–20 bar and 650–1000 K, respectively. The equivalence ratios have been varied by independently changing the oxygen mole fraction and the fuel mole fraction in the test mixtures, thereby illustrating the individual effects of oxygen concentration and fuel loading on diesel autoignition. Autoignition results of these four CRC surrogates are compared among them and with those of CFA. Some degree of agreement in autoignition response between each CRC surrogate and CFA is observed, while discrepancies are also identified and discussed. In addition, a detailed chemical kinetic model for diesel surrogates has been developed and validated against these newly-acquired RCM data. We find that this model shows reasonable agreement with the overall ignition delay time results of the current RCM experiments. Chemical kinetic analyses of the developed model were further conducted to help identify the reactions controlling the autoignition processes and the consumption of fuel components in CRC surrogates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

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. Here, 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.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Experimental and computational investigation of the influence of iso -butanol on autoignition of n -decane and n -heptane in non-premixed flows

Experimental and computational investigation is carried out to elucidate the influence of iso-butanol on critical conditions of autoignition of n-decane and n-heptane. The counterflow configuration is employed. In this configuration an axisymmetric stream of air is directed over the surface of an evaporating pool of a liquid fuel. A stagnation plane is established. The temperature of the air is increased until autoignition is achieved in the mixing layer in the vicinity of the stagnation plane. The temperature of the air stream at autoignition, T ig , is measured at various values of the strain rate, which is defined as the axial gradient of the axial component of the flow velocity at the stagnation plane. Fuels tested are n-decane, n-heptane, iso-butanol and various mixtures of n-decane/iso-butanol and n-heptane/iso-butanol. Kinetic modeling is carried out using the recently updated version of the comprehensive CRECK chemical-kinetic mechanism. Critical conditions of autoignition are predicted for all fuels and fuel mixtures and the results are compared with the measurements. Computations show that low-temperature chemistry plays a significant role in promoting autoignition of n-decane and n-heptane, and the influence of low-temperature chemistry decreases with increasing strain rates because there is insufficient residence for the low-temperature reactions to take place. Experimental data and numerical simulations show that addition of even small amounts of iso-butanol to n-decane or n-heptane increases the value of T ig at low strain rates indicating that iso-butanol strongly inhibits the low-temperature chemistry of n-decane and n-heptane. Furthermore, the simulations show that when iso-butanol is present in the liquid fuel, only a small amount of n-decane is available in the gas phase and its low concentration cannot effectively sustain the low temperature degenerate branching oxidation process. Here, predicted flame structures show that the peak values of mole fraction of ketohydroperoxide are significantly reduced when iso-butanol is added to n-decane indicating that the kinetic pathway to low temperature ignition is blocked. This observation is confirmed from sensitivity analysis.

42 ENGINEERING↗
DOE OSTI2019

The use of partial fuel stratification to enable stable ultra-lean deflagration-based Spark-Ignition engine operation with controlled end-gas autoignition of gasoline and E85

Lean operation of Spark-Ignition engines can provide higher thermal efficiency compared to standard stoichiometric operation. However, for a homogeneous lean mixture, the associated reduction of flame speeds becomes an important issue from the perspective of robust ignition and fast flame spread throughout the charge. This study is focused on the use of a lean partial fuel stratification strategy that can stabilize the deflagration, while sufficiently fast combustion is ensured via the use of end-gas autoignition. The engine has a spray-guided Direct-Injection Spark-Ignition combustion system and was fueled with either a high-octane certification gasoline or E85. Partial fuel stratification was achieved using several fuel injections during the intake stroke in combination with a small pilot-injection concurrent with the Spark-Ignition. The results reveal that partial fuel stratification enables very stable combustion, offering higher thermal efficiency for parts of the load range in comparison to well-mixed lean and stoichiometric combustion. The heat release and flame imaging demonstrate that the combustion often has three distinct stages. The combustion of the pilot-injected fuel, ignited by the normal spark, acts as a “super igniter,” ensuring a very repeatable initiation of combustion, and flame incandescence reveals locally rich conditions. The second stage is mainly composed of blue flame propagation in a well-mixed lean mixture. The third stage is the compression autoignition of a well-mixed and typically very lean end-gas. The end-gas autoignition is critical for achieving high combustion efficiency, high thermal efficiency, and stable combustion. Partial fuel stratification enables very effective combustion-phasing control, which is critical for controlling the occurrence and intensity of end-gas autoignition. Comparing the gasoline and E85 fuels, it is noted that achieving end-gas autoignition for the higher octane E85 requires a more aggressive compression of the end-gas via the use of a more advanced combustion phasing or higher intake-air temperature.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Effect of nitric oxide and exhaust gases on gasoline surrogate autoignition: iso-octane experiments and modeling

Exhaust gas recirculation (EGR) is widely used in advanced internal combustion engines to reduce engine emissions as well as control combustion phasing. Among various species present in EGR gases, CO 2 and H 2 O are two major components that can thermally and chemically affect fuel autoignition. It is of fundamental interest to isolate the thermal and chemical effects of CO 2 and H 2 O on fuel autoignition, especially as such an effort has not been reported in the literature. Moreover, nitric oxide (NO) is known to exhibit strong chemical effects on fuel autoignition, which in turn affects engine combustion phasing. The effects of ultra-low NO addition (< 100 ppm) on fuel autoignition at low temperatures are also not well understood. Recognizing these problems, autoignition experiments of iso-octane (a major gasoline surrogate component) in air are performed in this study using a rapid compression machine at varying compressed pressures, equivalence ratios, dilution levels with an EGR gas analogue (consisting of CO 2 , H 2 O, O 2 , and N 2 ) and N 2 only, and varying amounts of NO addition. Furthermore, the thermal and chemical effects of the EGR gas analogue are isolated and evaluated by comparing the ignition delay time datasets of EGR and N2-only diluted cases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1979

Autoignition of hydrogen injected transverse to a supersonic airstream

A parametric study of autoignition characteristics of transverse fuel injector patterns for a hydrogen-fueled, supersonic-combustion ramjet was conducted in direct-connect tests over a range of simulated hypersonic flight conditions. Autoignition limits, defined directly by visual observations and indirectly by measured wall pressure and temperature, are compared with a semi-empirical ignition limit model which accounts for first order effects on autoignition. It is shown that to initiate combustion in the immediate region of the fuel injector, ignition must occur in the separation region ahead of the fuel jet. Autoignition within this separation zone exhibits strong dependence on flow pressure and temperature, injector diameter, local boundary layer energy thickness, wall temperature, and on fluid dynamic interactions with adjacent downstream facing steps (such as inlet isolation steps). Secondary effects are also discussed. The empirical model is used to define limits of test temperature, pressure, and scale required for autoignition in a current subscale engine test program.

Mcclinton, C. R.↗
NASA NTRS1987

Autoignition of Fuel-Oxidizer Mixtures in Microgravity

Microgravity autoignition phenomena that may be influenced by chemically significant walls as well as by photochemically significant radiative fields are examined. First, the limitations of quasi-steady autoignition theory in providing information needed for the characterization of autoignition temperature fields are discussed. Time-dependent autoignition theory is then used to analyze the autoignition behavior of a reactive system where both wall catalysis and gas phase kinetic rates are significant. Space-time trajectories of temperature and species concentrations for such cases are presented

Berlad, A. L.↗
DOE OSTI2020

Experimental and modeling study of C2–C4 alcohol autoignition at intermediate temperature conditions

C2–C4 alcohols are advantageous blendstocks identified by many research groups, including the U.S. Department of Energy Co-Optima Initiative, towards enabling efficient, boosted Spark-Ignition (SI) engines. Their use in advanced engine applications requires a comprehensive understanding of their intermediate-temperature autoignition behavior. This work reports an experimental and modeling study covering their fundamental autoignition characteristics in a twin-piston rapid compression machine at pressures of 20 and 40 bar, intermediate temperatures from 750 to 980 K, and two fuel loading conditions representative of boosted SI engines. Direct comparison between these alcohols is made, where the order of reactivity is established across different thermodynamic and fuel loading conditions. Changes in preliminary exothermicity (or intermediate-temperature heat release) displayed in single-stage autoignition across different alcohols and conditions are also quantified. This provides insight into fuel-to-fuel differences, and how these could affect advanced combustion concepts such as spark-assisted compression ignition. Kinetic models are used to simulate the experiments, and reasonable agreement is obtained. Furthermore, the sensitivity analysis results demonstrate the importance of accurately capturing the autoignition kinetics, particularly H-abstraction reactions on the parent fuels by OH and HO 2 , and the branching ratio associated with these.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Impact of gasoline composition on the effects of nitric oxide on autoignition and knock in a DISI engine

Modern spark-ignition engines use exhaust gas recirculation (EGR) to dilute the charge and suppress knock, enabling the use of higher compression ratios and/or more optimum combustion phasing for higher efficiency. The effectiveness of EGR is affected by the composition of the fuel and its chemical-kinetic interactions with combustion products. Among those, nitric oxide (NO) has been shown to strongly affect autoignition reactivity. However, the impact of fuel composition of the effect of NO on reactivity is not well-understood. Here, in this study, engine experiments were conducted to assess the impact of NO seeded to the intake on knock-limited operation of two gasoline fuels (high cycloalkane content, or HCA, and high olefin content, or HO). Results showed that compositionally-different fuels responded differently to NO. HCA, which was less knock-limited than HO for NO < 200 ppm, became more knock-limited for NO > 200 ppm. Moreover, it was found that differences in knock between fuels were caused by differences in autoignition chemistry and not in the sequential autoignition process of the end gas that occurs due to thermal stratification. Chemical kinetic simulations were performed to better understand the experimental results. For HCA, intermediate-temperature heat release had a greater impact on autoignition reactivity than low-temperature heat release, while the opposite was observed for HO. For both fuels, NO enhances the magnitude of low-temperature heat release via NO + HO 2 → NO 2 + OH. The effect of NO on reactivity was stronger for HCA because OH produced from NO helped to overcome the OH quenching effect of cyclopentane, a main species in HCA. In contrast, HO had relatively strong inherent low-temperature chemistry arising from iso-octane, which reduced the impact of NO on reactivity. For the range of NO mole fractions tested in this study, in-cylinder NO increased fuel’s knock propensity, especially for fuels with mild low-temperature chemistry.

Autoignition↗
DOE OSTI2020

Investigation of the end-gas autoignition process in natural gas engines and evaluation of the methane number index

Engine knock and misfire are barriers to pathways leading to high-efficiency Spark-Ignited (SI) Natural Gas (NG) engines. The general tendency to knock is highly dependent on engine operating conditions and the fuel reactivity. The problem is further complicated by the wide range of chemical reactivity in pipeline quality NG, represented by the Methane Number (MN) (65< MN<95). Understanding the underlying phenomena responsible for engine knock can support the development of predictive tools capable of identifying knock onset/intensity as well as a fuel’s propensity to knock, allowing engine manufacturers to expand the knock envelope and design more efficient/robust SI NG engines. Additionally, there is an opportunity for increased efficiency by controlling levels of end-gas autoignition if this can be predicted and controlled. This work focuses on the development of a novel methodology to understand/predict a fuel’s propensity to knock. This methodology is based on the charge fraction undergoing autoignition, namely fractional end-gas autoignition (F-EGAI), and was developed based on first order laminar flame speeds and ignition delay analysis combined with a 0-D homogeneous batch reactor model. This methodology proved to be suitable to predict a fuel’s propensity to knock, even under conditions when light knock was observed. The simple modeling approach was used to explain the results from a series of MN tests with multiple NG compositions exhibiting a wide range of reactivity compositions and providing insight on why fuels of very different chemical compositions can have the same MN. Finally, a CFD model was developed was used to confirm the methodology capability and provide further insights in the physical and chemical phenomena behind end gas autoignition.

42 ENGINEERING↗
DOE OSTI2022

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. In conclusion, the analyses reveal that nC7 enhances 2-PE autoignition via providing extra $\dot{O}$H 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.

2-phenlyethanol↗