Low-temperature gasoline combustion (LTGC) with additive-mixing fuel injection (AMFI) is a new combustion strategy that has been demonstrated to deliver 9%–25% better brake thermal efficiency than similar-sized market-leading diesel engines over the operating map. Moreover, the LTGC-AMFI engine shows near-zero smoke, and NOx emissions are 4–100 times lower than those of a diesel, sufficiently low that no aftertreatment, or only passive NOx aftertreatment, would be sufficient (diesel exhaust fluid is not required). LTGC-AMFI combustion is based on kinetically controlled compression ignition of a dilute charge with a variable amount of low-to-moderate fuel stratification. Fast combustion control is provided by adding minute amounts of an ignition-enhancing additive into the fuel each engine cycle to control its reactivity. This strategy was used to operate a medium-duty (MD) LTGC-AMFI engine at loads from idle to 16.3 bar BMEP and speeds from 600 to 2400 rpm with regular E10 gasoline, which covers nearly the entire operating map of a typical MD engine. Turbine-out temperatures were sufficient for an oxidation catalyst to control hydrocarbon and CO emissions. Autonomie simulations over the GEM ARB Transient and the GEM 55 mph Cruise driving cycles for class-6 trucks using this technology showed fuel economies of 8.1 and 11.4 mpg-gasoline-equivalent, respectively, corresponding to 18.6% and 13.4% improvements over a similar-size diesel engine. Engine-out NOx emissions were 0.024 and 0.01 g/bhp-h, respectively, well below current U.S. emission standards. These results show that switching from diesel to LTGC-AMFI engines would greatly reduce greenhouse gas (GHG) emissions for off-road, MD and HD applications, which will continue to rely on combustion engines because electrification is not practical in the foreseeable future. With their reduced fuel consumption, the lower cost of gasoline compared to diesel fuel, and much lower aftertreatment costs, LTGC-AMFI engines also offer a significantly lower total cost of ownership.

Low-temperature gasoline combustion (LTGC) engines can provide high efficiencies with very low NOx and particulate emissions. Despite these major advantages, methods for controlling LTGC combustion timing, achieving robust autoignition, and good low-load performance have challenged the development of practical LTGC engines. A key reason is that the ideal reactivity of the fuel varies with operating conditions, with low-reactivity fuels working well at high loads and higher-reactivity fuels working better at low loads. This article introduces a new technique called Additive Mixing Fuel Injection (AMFI) that adjusts the reactivity of the gasoline to obtain good performance over the operating map. Moreover, AMFI can provide robust combustion-timing control because it precisely meters very small amounts (0.01–0.6 mm 3 ) of an ignition-enhancing additive into the fuel each engine cycle. The additive used was 2-ethylhexyl nitrate (EHN), a common, inexpensive diesel-fuel ignition improver, but other additives could be used. Because additive amounts are so small, a 2-gal reservoir would be sufficient for medium-duty applications with refilling only at service intervals of about 8000 mi. The AMFI system has been installed on a single-cylinder LTGC research engine and demonstrated to provide robust combustion-timing control over wide ranges of combustion phasing, fueling rate, intake boost, engine speed, and intake temperature. AMFI also increases the fuel’s reactivity sufficiently to greatly reduce or eliminate the need for charge heating, simplifying engine design and significantly increasing thermal efficiency and the maximum load at low-boost conditions. The nitrogen in the EHN produced a modest increase in NOx, but it was mitigated by lower intake temperatures, and NOx emissions remained very low. Finally, the additive increases the sensitivity of autoignition reactions to variations in the local fuel/air mixture within the charge. This allows the use of controlled fuel stratification for improved LTGC-engine performance, and its potential to improve low-load operation was demonstrated.

Advanced Low Temperature Combustion modes, such as the Sandia proposed Additive-Mixing Fuel Injection (AMFI), can unlock significant potential to boost fuel conversion efficiency and ultimately improve the energy conversion of internal combustion engines. This is a novel improved combustion process that is enabled by supplying small (<5%) variable amounts of autoignition improver to the fuel to enhance the engine operation and control. Common, diesel-fuel ignition-quality enhancing additive, 2-ethylexyl nitrate (EHN), is doped into gasoline to enable Sandia LTGC + AMFI combustion. This manuscript focuses on the development of a reduced sub-mechanism for EHN chemical kinetics at engine relevant conditions that is implemented into a skeletal mechanism for chemical kinetic studies of gasoline surrogate fuels. The mechanism validation utilized zero-dimensional numerical simulations and comparison to shock tube ignition-delay data of pure and EHN-doped n-heptane. Additional validation is presented with Homogeneous Charge Compression-Ignition (HCCI) engine data of pure and EHN-doped research-grade E10 gasoline. Then, the mechanism was deployed in a 3-D computational fluid dynamics (CFD) using Large Eddy Simulations (LES) to model the HCCI engine experiments of 0.4% vol EHN additized E10 gasoline at several equivalence ratios. Simulations showed a very good performance of the mechanism, and the model accurately reproduced (a) the ignition point, (b) combustion phasing, (c) combustion duration, and (d) the peak of the heat release rates of the engine experiments. The results show that EHN promotes Low-Temperature Heat Release, ultimately driving the gasoline to autoignite at thermodynamic conditions where the fuel would not otherwise ignite. Overall, this work demonstrates a viable reduced chemical-kinetic mechanism for EHN and shows that it can be combined with a skeletal gasoline mechanism for CFD-LES analysis of well-mixed LTGC that matches well with experimental results. The CFD-LES analysis also shows the spatial distribution of EHN-fuel interactions that control the autoignition throughout the combustion chamber.

An experimental and numerical study of combustion of a gasoline certification fuel ('indolene'), and four (S4) and fiv e (S5) component surrogates for it, is reported for the configurations of an isolated droplet burning with near spherical symmetry in the standard atmosphere, and a single cylinder engine designed for advanced compression ignition of pre-vaporized fuel. The intent was to compare performance of the surrogate for these different combustion configurations and to assess the broader applicability of the kinetic mechanism and property database for the simulations. A kinetic mechanism comprised of 297 species and 16,797 reactions was used in the simulations that included soot formation and evolution, and accounted for unsteady transport, liquid diffusion inside the droplet, radiative heat transfer, and variable properties. The droplet data showed a clear preference for the S5 surrogate in terms of burning rate. The simulations showed generally very good agreement with measured droplet, flame, and soot shell diameters. Measurements of combustion timing, in-cylinder pressure, and mass-averaged gas temperature were also well predicted with a slight preference for the S5 surrogate. Preferential vaporization was not evidenced from the evolution of droplet diameter but was clearly revealed in simulations of the evolution of mixture fractions inside the droplets. The influence of initial droplet diameter (D o ) on droplet burning was strong, with S5 burning rates decreasing with increasing D o due to increasing radiation losses from the flame. Flame extinction was predicted for D o = 3.0 mm as a radiative loss mechanism but not predicted for smaller D o for the conditions of the simulations.& COPY; 2022 Published by Elsevier Inc. on behalf of The Combustion Institute.

This work analyzes the ability of the Octane Index (OI) to characterize the autoignition resistance of gasoline-like fuels in a Low-Temperature Gasoline Combustion (LTGC) engine. Experimental studies in the Sandia LTGC engine at naturally aspirated ‘beyond-MON’ and high-boost ‘beyond-RON’ conditions showed that the correlation between OI and autoignition reactivity is poor. These experiments were successfully replicated in CHEMKIN, allowing detailed studies of the factors affecting the OI correlation. Systematic investigations were conducted to determine why the OI performs less well for LTGC combustion compared to end-gas autoignition (i.e. knock) in spark-ignition (SI) engines. A pseudo-MON condition that follows the pressure-temperature (P-T) trajectory of the real MON test was tested numerically, using 10 different fuels, leading to the conclusion that the OI correlation performs very well for an SI engine running at close-to-MON conditions. The effects of each difference between SI and LTGC combustion were then analyzed for four P-T trajectories: ‘beyond-MON’, ‘MON test’, ‘between RON-MON’, and ‘beyond-RON’ conditions. These differences included changes in: equivalence ratio, engine speed, and residence-time history along the P-T trajectory for piston-only compression, as used for LTGC, compared to compression by the piston plus flame propagation for SI combustion. For LTGC combustion, the OI correlation did not characterize the autoignition quality of gasoline-like fuels well for any P-T trajectory, but the factors causing this poor performance varied with conditions. For example, at naturally aspirated LTGC conditions (beyond-MON), changes in equivalence ratio were the primary cause, followed by differences in the P-T trajectory and changes in residence time. Whereas, for intake-boosted beyond-RON conditions, differences in the P-T trajectory had the largest effect, followed by changes in residence time. Finally, the parameter K that characterizes the OI correlation showed values that contradict the OI theory under realistic LTGC conditions, suggesting that K might be meaningless for LTGC engines.

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.

Autoignition enhancing additives have been used for years to enhance the ignition quality of diesel fuel, with 2-ethylhexyl nitrate (EHN) being the most common additive. EHN also enhances the autoignition reactivity of gasoline, which has advantages for some low-temperature combustion techniques, such as Sandia’s Low-Temperature Gasoline Combustion (LTGC) with Additive-Mixing Fuel Injection (AMFI). LTGC-AMFI is a new high-efficiency and low-emissions engine combustion process based on supplying a small, variable amount of EHN into the fuel for better engine operation and control. However, the mechanism by which EHN interacts with the fuel remains unclear. In this work, a chemical-kinetic mechanism for EHN was developed and implemented in a detailed mechanism for gasoline fuels. The combined mechanism was validated against shock-tube experiments with EHN-doped n-heptane and HCCI engine data for EHN-doped regular E10 gasoline. Simulations showed a very good match with experiments. EHN chemistry fundamentals were also studied. Under LTGC-AMFI engine conditions, EHN generates NO2, formaldehyde and a combination of ~85% 3-heptyl and ~15% 1-butyl radical and butoxy diradical. Results show that the 3-heptyl and 1-butyl radicals are responsible for the autoignition-enhancing effect of EHN. Each mole of these radicals rapidly generates 2 moles of OH, which accelerate the low-temperature chemistry of the fuel, increasing its reactivity. The effects of the operating conditions on the effectiveness of EHN to increase the autoignition reactivity of the fuel were also studied. EHN’s effectiveness for increasing the autoignition reactivity is highest in the low-temperature regime, and it decreases as the temperature increases. EHN’s effectiveness to increase autoignition reactivity decreases with the combination of intake-pressure boost and EGR for typical engine operation. The effect of EHN on autoignition reactivity increases as equivalence ratio increases, enhancing the fuel’s φ-sensitivity. Therefore, with fuel stratification, EHN’s larger enhancement of autoignition reactivity for richer regions makes stratification techniques more effective.

Partial fuel stratification (PFS) is a low temperature combustion strategy that can alleviate high heat release rates of traditional low temperature combustion strategies by introducing compositional stratification in the combustion chamber using a split fuel injection strategy. In this study, a three-dimensional computational fluid dynamics (CFD) model with large eddy simulations and reduced detailed chemistry was used to model partial fuel stratification at three different stratified conditions. The double direct injection strategy injects 80% of the total fuel mass at −300 CAD aTDC and the remaining 20% of the fuel mass is injected at three different timings of −160, −50, −35 CAD to create low, medium, and high levels of compositional stratification, respectively. The PFS simulations were validated using experiments performed at Sandia National Laboratories on a single-cylinder research engine that operates on RD5-87, a research-grade E10 gasoline. The objective of this study is to compare the performance of three different reduced chemical kinetic mechanisms, namely SKM1, SKM2, and SKM3, at the three compositional stratification levels and identify the most suitable mechanism to reproduce the experimental data. Zero-dimensional chemical kinetic simulations were also performed to further understand differences in performance of the three reduced chemical kinetic mechanisms to explain variations in CFD derived heat release profiles. The modeling results indicate that SKM3 is the most suitable mechanism for partial fuel stratification modeling of research-grade gasoline. The results also show that the autoignition event progresses from the richer to the leaner compositional regions in the combustion chamber. Notably, the leaner regions that have less mass per unit volume, can contribute disproportionately more toward heat release as there are more cells at leaner equivalence ratio ranges. Overall, this study illuminates the underlying compositional stratification phenomena that control the heat release process in PFS combustion.

High-performance renewable fuels (HPFs) are an alternative to conventional petroleum fuels that could greatly reduce the carbon footprint of internal combustion engines. The combination of high-HPF-content fuels with advanced engine technologies [such as advanced compression ignition (ACI)] that have been demonstrated to provide efficiencies well above those of diesel engines is a promising pathway for substantial reductions in CO2 with low criteria emissions. One of the key fuel properties for the operation of ACI engines is phi-sensitivity. However, regular gasoline is not very phi-sensitive under naturally aspirated conditions, meaning that intake boosting is required to take advantage of this property. Thus, there is strong motivation to design HPF fuel blends that improve phi-sensitivity at lower pressures and simultaneously increase the research octane number (RON) and octane sensitivity (S) to make them improved fuels suitable for both ACI and spark-ignition engines. In this study, a holistic methodology was used to design a five-component gasoline-like blend (termed CB#2) that contains 40% vol of a mixture of 2-methyl furan and 2,5-dimethyl furan (which is representative of products of a viable pathway to make furans from bio-feedstock). Simulations show promising results when CB#2 is compared to regular E10 gasoline (RD5-87). Measurements show that CB#2 has RON = 97.4 and S = 13.6, improving the RON and S of RD5-87 by 5.4 and 6.3 units, respectively, and suggesting that CB#2 is suitable for spark-ignition engines. Fuel blend CB#2 has been experimentally evaluated in the low-temperature gasoline combustion engine at Sandia National Laboratories, and the results are compared with those of RD5-87. Fuel blend CB#2 requires less intake heat than RD5-87 to autoignite under premixed, naturally aspirated conditions, indicating that CB#2 operates under the ACI mode easier than regular gasoline. Both CB#2 and RD5-87 allow virtually the same maximum engine load under premixed, high-boost conditions. Finally, CB#2 shows significantly higher phi-sensitivity than RD5-87.

Combustion of a seven-component surrogate for a research grade 87 octane gasoline mixed with 10% ethanol is investigated experimentally and numerically from the perspective of an isolated droplet burning under conditions that promote one-dimensional gas transport. The numerical analysis included a kinetic mechanism comprised of 398 species and 24,814 reactions and a soot model that accounted for nucleation, surface growth, coalescence/aggregation of soot particles, and luminous flame radiation. Measurements of droplet and flame diameters were made for an initial droplet diameter (D-o) of approximately 0.63 mm. The simulations agreed well with the measurements including the location of the soot shell. Preferential vaporization was revealed by simulations of the liquid concentrations in the droplet. Predicted peak soot volume fractions coincided with temperatures between 1300 K and 1400 K as a soot inception temperature. Simulations were also carried out for D-o between 0.25 mm and 5 mm to explore the effect of radiation and D-o on burning. Below 0.25 mm radiation was negligible and burning rates and flame temperatures converged to a single value. Increasing D-o up to 1.8 mm lowered the burning rate with luminous radiation having a strong effect. When radiation was entirely removed from the model the burning rate was nearly constant. Above D-o = 2 mm droplets extinguished almost immediately after ignition. The flame temperature decreased with increasing D-o while it increased when radiation was omitted. The simulations show that soot precursors including polyammatic hydrocarbons were concentrated around the soot shell.

The development of gasoline compression ignition engines operating in a low temperature combustion mode depends heavily on robust control of the heat release profile. Partial fuel stratification is an effective method for controlling the heat release by creating a stratified mixture prior to autoignition, which can be beneficial for operation across a wide load range. In this study, three-dimensional large eddy simulations were used to model a double direct injection strategy for which 80% of the fuel was injected during the intake stroke, and 20% of the fuel was injected at varying timing during the compression stroke. The simulations replicated a set of experiments performed at Sandia National Laboratories on a 1-L single-cylinder research engine using E10 gasoline (gasoline fuel containing 10% vol. ethanol). The objective of this study is to analyze the effects of the double direct injection strategy on the compositional and thermal stratification of the mixture, and understand the best use of this operating strategy. The modeling results indicated that by retarding the start of the second injection, the mixture stratification increases, which can be used to control the autoignition timing and the combustion phasing. Ignition and CA50 (crank angle of 50% mass fraction burned) are dictated by the mass concentration of the richest zones in the combustion chamber, as well as their location. The richer zones have the lowest temperatures before ignition primarily due to evaporative cooling from direct fuel injection. Overall, this study enhances the understanding of partial fuel stratification that can be used for controlling the heat release in gasoline compression ignition engines.

High heat release rates limit the operating range of homogeneous charge compression–ignition engines to low and medium loads. Thermal stratification has been shown to stagger autoignition, lower heat release rates, and extend the operating range of homogeneous charge compression–ignition engines. However, the dependence of naturally occurring thermal stratification on the engine size, speed, and internal residual dilution is not fully understood. A three-dimensional computational fluid dynamics model with large eddy simulations and detailed chemical kinetics was developed using CONVERGE. This model was used to simulate two different engines: (1) a light-duty 2.0 GM Ecotec Engine modified for homogeneous charge compression–ignition combustion in one of the cylinders and (2) a medium-duty Cummins B-series engine modified for homogeneous charge compression–ignition combustion in one of the cylinders. For the light-duty engine, five consecutive modeled cycles were compared with experimental data from 300 consecutive cycles using residual gas dilution at 2000 r/min. For the medium-duty engine, five consecutive modeled cycles were compared with experimental data from 100 consecutive cycles using air dilution with intake heating at 1200 r/min. In the light-duty engine, it was found that incomplete mixing between fresh charge and residual gas increased thermal stratification early in the compression stroke for residual dilution compared to air dilution. Residual stratification at the onset of ignition was small and not directly coupled with thermal stratification. Heat losses to the walls were the dominant source of thermal stratification at the onset of ignition. The reduced oxygen concentration due to residual dilution, increased the temperature requirement for autoignition, which increased heat transfer losses and increased the thermal stratification around top dead center. The thermal stratification before ignition reduced when the engine speed increased because of the lower heat transfer losses. The light-duty engine was found to have larger portion of the fuel energy lost to heat transfer than the medium-duty engine, which resulted in larger thermal stratification before ignition.

ϕ-sensitivity is a fuel characteristic that has important benefits for the operation and control of low-temperature gasoline combustion (LTGC) engines. However, regular gasoline is not very ϕ-sensitive at low-pressure conditions, meaning that intake boosting (typically Pin ≥ 1.3 bar) is required to take advantage of this property. Thus, there is strong motivation to design a gasoline-like fuel that simultaneously improves ϕ-sensitivity, RON and octane sensitivity, to make an improved fuel suitable for both LTGC and modern SI engines. In a previous study [SAE 2019-01-0961], a 5-component regulation-compliant fuel blend (CB#1) was computationally designed; and simulations showed promising results when it was compared to a regular E10 gasoline (RD5-87). The current study experimentally evaluates CB#1 in the Sandia LTGC engine and compares the results with those of RD5-87. The RON and octane sensitivity were improved 1.3 and 3.6 units by CB#1, respectively. Similar amounts of intake heat are required to achieve autoignition of CB#1 and RD5-87 at premixed, naturally aspirated conditions, ensuring that CB#1 can operate under HCCI mode as easily as regular gasoline. Furthermore, similar maximum engine loads can be reached with both CB#1 and RD5-87 under premixed, high-boost conditions. The ϕ-sensitivity was evaluated using two metrics. First, starting from well-mixed conditions, the change in CA10 with a specific amount of fuel stratification provides a metric of how the ϕ-sensitivity advances the ignition. Second, the amount of CA50 advancement without knock that is achievable with stratification provides a metric of how the ϕ-sensitivity spreads the heat release. Both metrics showed that CB#1 has a greater ϕ-sensitivity than RD5-87. Additionally, CB#1 has a lower peak heat release rate than RD5-87 for stratified operation with the same combustion phasing because of the larger spread of heat release, leading to lower combustion noise and lower knock propensity. Finally, CB#1 was found to be a more suitable fuel to work with ignition enhancers, such as EHN, compared to RD5-87.

On behalf of the Vehicle Technologies Office of the U.S. Department of Energy, we are pleased to introduce the Fiscal Year (FY) 2019 Annual Progress Report for the Advanced Engine and Fuel Technologies Program. In support of the Vehicle Technology Office’s goal for future U.S. economic growth, the Program focuses on early-stage research and development to improve understanding of combustion processes, fuel properties, and emissions control technologies, generating knowledge and insight necessary for industry to cost-effectively develop the next generation of engines and fuels. One of the most promising and cost-effective approaches to improving the fuel economy of the U.S. vehicle fleet is to introduce the next generation of higher-efficiency, very-low-emission combustion engines that meet future federal emissions regulations into the passenger and commercial vehicle markets. Advanced fuel formulations that can incorporate non-petroleum-based blending agents could further enhance engine efficiency, reduce greenhouse gas emissions, and provide fuel diversification. Also, innovations in combustion, fuels, emissions control, air control, turbomachinery, and energy recovery could potentially increase fuel economy considerably compared to today’s vehicles. The expected national economic, environmental, and energy security benefits from these next-generation engines and fuels would be significant inasmuch as the majority of vehicles sold over the next several decades will still include an engine. The Program has set the following goals for passenger and commercial vehicle fuel economy improvements. By 2030, increase light-duty engine efficiency to demonstrate 35% improvement in passenger vehicle fuel economy (25% improvement from engine efficiency and 10% from fuel co-optimization) relative to a 2015 baseline vehicle, while meeting the U.S. Environmental Protection Agency Tier 3 Emission and Fuel Standards. By 2030, improve heavy-duty engine efficiency by 35% relative to a 2009 baseline vehicle and identify cost-effective high-performance fuels that can further increase efficiency up to an additional 4%, while meeting prevailing U.S. Environmental Protection Agency emissions standards. The Program utilized advanced combustion processes to increase engine efficiency, resulting in a modeled passenger vehicle fuel economy improvement of 19.4% (over a Model Year 2015 baseline) in FY 2019. This report highlights progress achieved by the Advanced Engine and Fuel Technologies Program during FY 2019. The nature, current focus, and recent progress of the Program are described together with summaries of National Laboratory, industry, and university projects that provide an overview of the exciting work being conducted to address critical technical barriers and challenges to commercializing the next generation of higher-efficiency engine, emissions control, and fuel technologies for passenger and commercial vehicles.