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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Amines have lower sooting tendencies than analogous alkanes, alcohols, and ethers

While the sooting tendencies of regular hydrocarbons, oxygenates, and complex fuel mixtures have been well-studied, far less research has been devoted to analyzing the influence of fuel-nitrogen on soot formation. The effect of nitrogen on soot formation becomes relevant for diesel fuels with nitrogen-containing additives, as well as biomass or biomass-derived fuels, which can contain up to 30% nitrogen-containing compounds by dry weight. To begin closing these gaps in the literature, the sooting tendencies of 14 C4 and C6 amines were measured. Sooting tendencies were quantified by re-scaling relative soot concentrations measured in fuel-doped methane flames into Yield Sooting Indices (YSI). The relative soot concentrations were measured with line-of-sight spectral radiance, and validation experiments confirmed that the presence of nitrogen in the test compounds did not interfere with this diagnostic. All of these amines had lower sooting tendencies than the structurally analogous hydrocarbons and oxygenates. The sooting tendencies of amine isomers with the same chemical formula varied significantly. Secondary amines with linear substituents were found to offer the lowest sooting propensity, while primary amines with branched substituents were observed to yield the largest sooting tendencies. In conclusion, the relationship between sooting propensity and chemical structure of the amines hints at the complex nature of soot formation, and highlights an interesting and unexplored area of combustion chemistry for further studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Analysis of ducted fuel injection at high-pressure transcritical conditions using large-eddy simulations

Ducted fuel injection (DFI) is a proposed fuel injection concept for achieving substantial reductions in emissions. In this concept, the fuel is injected through a coannular duct, resulting in increased fuel-air mixing and minimized formation of soot and other unwanted combustion products. Apart from comprehensive experimental investigations on DFI, so far computational studies have been limited to single-point Reynolds-averaged Navier Stokes simulations. Therefore, the objective of this work is to complement these studies by performing large-eddy simulations using a diffuse-interface method to examine the physical mechanisms and combustion processes of DFI, specifically focusing on the mixing process and the effect of fuel-ducting on combustion and pollutant emissions. To this end, finite-rate chemistry simulations are performed of the DFI configuration corresponding to the Engine Combustion Network Spray A injector at transcritical conditions (n-dodecane fuel, 60 bar pressure and 1000 K temperature chamber conditions). A two-equation soot model is employed for the qualitative analysis of soot emissions. Direct comparisons of averaged and instantaneous flow field results with the Spray A configuration are performed to assess the effect of DFI on the first- and second-stage ignition and soot formation. Compared to the free-spray condition, the results show that the DFI case exhibits a combination of (i) increased mass flow rate and entrained air, (ii) larger pressure drop magnitude and flow velocity, and (iii) a closer-to-stoichiometric mixture composition (both globally and locally), each of which is conjectured to contribute toward reduced soot production.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Investigation of fuel film formation and soot emissions in a GDI engine during cold-start with Split-injection strategies

This study investigates the impact of fuel-film formation on engine-out soot emissions in a gasoline direct injection (GDI) engine under cold-start conditions. Split-injection strategies were applied by varying the number of injections, injection duration, and total fuel quantity to affect wall wetting and control the average in-cylinder equivalence ratio. A combined experimental and numerical approach was employed to analyze fuel-film deposition, combustion efficiency, and engine-out soot and unburnt hydrocarbons (UHC) emissions. In particular, fuel film distribution estimated by means of non-reacting, 3-D, computational fluid dynamics (CFD) simulations, together with experimentally measured soot data, were used to investigate fuel film formation and its role in soot generation. In the experiments, a skip-fired engine control strategy was applied to mimic the transient nature of engine cold-start operation. The results indicate that, under the same total number of injections, increasing the average in-cylinder equivalence ratio through longer injection durations improves combustion stability, as indicated by the decrease of the coefficient of variation of IMEP n (Net Indicated Mean Effective Pressure) from 6.0 % to 0.6 %. However, this strategy leads to higher soot emissions, which increased by nearly an order of magnitude, primarily due to enhanced wall-film formation. In contrast, increasing the number of injections while maintaining a constant equivalence ratio significantly impacts fuel-film deposition and, consequently, soot emissions, with a fivefold reduction of the measured engine-out soot, decreasing from 3.5 mg to 0.7 mg. A soot-film correlation was developed and achieved a high coefficient of determination (r 2 = 0.95) and was further extended to account for spark timing effects. These findings confirm the effectiveness of split-injection for avoiding wall film formation and soot emissions, and the critical role of fuel film in soot generation, supporting the hypothesis that pool fires play a crucial role in contributing to soot formation under these cold-start conditions. In conclusion, the study also indicates the value of a predictive soot-film correlation for developing cold-start emission control strategies.

Engine Cold-start↗
DOE OSTI2023

SootLib: A soot model library for combustion simulation

Soot formation in combustion is an important process that affects radiative heat transfer, flame temperatures, and emissions with health and environmental impacts. Soot formation involves complex chemistry for nucleation, growth, oxidation, and coagulation processes. The soot particles vary widely in size and accurate modeling requires representation of the particle size distribution (PSD). Modeling soot is not trivial, and is only one of several physical processes active in combustion systems. This paper presents a software package called SootLib, which is an open-source library for modeling soot formation and other aerosol systems. SootLib is written in C++, is documented with Doxygen, and is available on GitHub. The library includes several models for soot chemistry and coagulation, and it represents the PSD using either a sectional model or the method of moments (MOM). Four closure approaches for the MOM are implemented allowing up to eight moments: monodispersed, an assumed-shape lognormal distribution, the quadrature method of moments, and the method of moments with interpolative closure. SootLib provides an interface for inclusion in other combustion packages including CFD or reacting flow solvers. The range of models allows comparisons and sensitivity studies, and the modularity facilitates extension to other soot models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Heavy-Duty Low-Temperature and Diesel Combustion & Heavy-Duty Combustion Modeling (FY 2018 Annual Progress Report)

Regulatory drivers and market demands for lower pollutant emissions, lower carbon dioxide emissions, and lower fuel consumption motivate the development of clean and fuel-efficient engine operating strategies. Most current production engines use a combination of both in-cylinder and exhaust emission control strategies to achieve these goals. The emissions and efficiency performance of in-cylinder strategies depend strongly on flow and mixing processes associated with fuel injection. Both heavy- and light-duty engine/vehicle manufacturers use multiple-injection strategies to reduce noise, emissions, and fuel consumption. For both conventional and low-temperature diesel combustion, the state of knowledge and modeling tools for multiple injections are far less advanced than for single-injection strategies. Engine efficiency is limited to some degree by tradeoffs that must be accepted to meet particulate matter (including soot) emissions limits. Recent work on this project has filled some knowledge gaps on soot oxidation with multiple injections, and the current work for Fiscal Year (FY) 2018 addresses knowledge gaps on soot formation for multiple injections. While total in-cylinder soot is readily measured, discerning formation from oxidation is difficult. The FY 2018 experiments are designed to create in-cylinder conditions at the threshold of soot formation, where processes that affect soot formation can be more readily discerned. Soot formation pathways under such conditions are fraught with uncertainties, and soot models significantly overpredict polyaromatic hydrocarbon (PAH) and soot, so experimental data at these conditions will provide much needed data for improvements to PAH and soot models.

02 PETROLEUM↗
DOE OSTI2021

Modeling soot growth in Comp-B using a detonation history

A chemical kinetics procedure for soot formation calculation is summarized. By importing Lagrangian hydrodynamic calculations, species history is consistently accounted for. Detonation product composition is assumed in region with the burnt high explosive (HE). Soot formation is calculated using the density and energy obtained in the hydrodynamics calculation of HE detonation. Ideal gas equation-of-state (EOS) with temperature-dependent specific heat is used in the HE product region. Sample calculations show reasonably-expected temperature and soot formation.

42 ENGINEERING↗
DOE OSTI2022

Editorial: Particulate Matter Emissions From Conventional and Reformulated Fuel Combustion: Advances in Experiments and Simulations

Particulate matter (PM or soot) emissions generated by combustion of conventional and reformulated fuels adversely impact the environment and human health (Bond et al., 2013; Landrigan et al., 2018; World Health Organization (WHO), 2016), generating public awareness and motivating efforts towards the mitigation of their harmful effects. Soot formation is one of the most complex phenomena in combustion, involving interactions between combustion chemistry, fluid mechanics, mass/heat transport, and particle dynamics, spanning different spatial and temporal scales. A fundamental understanding of soot formation process is thus necessary to achieve a strong reduction of PM emissions and design cleaner and more efficient combustion systems. This has motivated a longstanding and ongoing research activity aimed at improving our understanding of the physical and chemical processes involved in soot formation, well reviewed in these recent works (Wang and Chung, 2019; Michelsen et al., 2020; Martin et al., 2022). Despite the wide interest, the transition from gas-phase molecules to incipient soot particles is still elusive and the successive particle growth and oxidation processes are far from being fully understood, especially in conditions relevant to real-world applications. Recent advances in combustion PM emission diagnostic and computational capabilities helped in improving the predictability of fundamental chemical and aerosol models for practical applications, thus tackling some of the above-mentioned challenges. The aim of this research topic is to display the ongoing research efforts in addressing the existing gaps on particulate formation from various fuel sources and in conditions typical of practical combustion applications (e.g. flames, engines, pool fires), through both experimental and numerical approaches.

42 ENGINEERING↗
DOE OSTI2025

Flow Reactor Study of the Soot Precursors of Novel Cycloalkanes as Synthetic Jet Fuel Compounds: Octahydroindene, p -Menthane, and 1,4-Dimethylcyclooctane

Sustainable aviation fuels (SAFs) or Synthetic aviation turbine fuels (SATFs) derived from nonpetroleum sources are essential for energy security and a strong rural and agricultural economy. Airplanes operating on SAF can have lower particle emissions compared to those of conventional jet fuel, reducing air quality impacts near airports. Processing biobased isoprene or wood and agricultural waste can produce cycloalkane-rich fuels with properties meeting ASTM International’s SATF requirements. The unique structures of these cycloalkanes yield lower soot emissions because of their lack of aromatic rings. We measured the soot formation tendency as yield sooting index (YSI) and used laminar flow reactor experiments to evaluate soot precursors formed for isoprene-derived compounds p-menthane and 1,4-dimethylcyclooctane (DMCO), and octahydroindene (OHI)─ produced from woody biomass via catalytic fast pyrolysis. The combustion chemistry of the OHI and DMCO has not been previously studied. Experiments were conducted at 10 bar from 800 to 1200 K, equivalence ratios of 1.0 and 3.0, and residence times of 1.0 and 0.6 s, respectively. Experimentally detected species were used to elucidate the mechanisms of soot precursor formation. OHI exhibited the highest YSI (94.5) and formed a high concentration of benzene primarily by direct dehydrogenation of the six-membered ring. p-Menthane (YSI 92.0) and DMCO (YSI 85.0) oxidation products included fewer aromatic components but higher benzene precursors, including 1,3-butadiene, propyne, and allene. This suggests that the ring-opening pathway is dominant over the dehydrogenation pathway in the benzene formation for these compounds. This experimental speciation provides insight into the influence of the cycloalkane structure on the sooting tendencies of potential SAF blend components, thereby aiding in fuel design processes.

09 BIOMASS FUELS↗
DOE OSTI2021

Solid particulate mass and number from ducted fuel injection in an optically accessible diesel engine in skip-fired operation

Ducted fuel injection (DFI) is a new combustion strategy that has been shown to significantly attenuate soot formation in diesel engines. While previous studies have used optical diagnostics and optical filter smoke number methods to show that DFI reduces in-cylinder soot formation and engine-out soot emissions, respectively, this is the first study to measure solid particle number (PN) emissions in addition to particle mass (PM). Furthermore, this study quantitatively evaluates the use of transient particle instruments for measuring particles from skip-fired operation in an optical single cylinder research engine (SCRE). Engine-out PN was measured using an engine exhaust particle sizer following a catalytic stripper, and PM was measured using a photoacoustic analyzer. The study improves on earlier preliminary emissions studies by clearly showing that DFI reduces overall PM by 76%–79% and PN for particles larger than 23 nm by 77% relative to conventional diesel combustion at a 1200-rpm, 13.3-bar gross indicated mean effective pressure operating condition. The degree of engine-out PM reduction with DFI was similar across both particulate measurement instruments used in the work. Through the use of bimodal distribution fitting, DFI was also shown to reduce the geometric mean diameter of accumulation mode particles by 26%, similar to the effects of increased injection pressure in conventional diesel combustion systems. This work clearly shows the significant solid particulate matter reductions enabled by DFI while also demonstrating that engine-out PN can be accurately measured from an optical SCRE operating in a skip-fired mode. Based on these results, it is believed that DFI has the potential to enable fuel savings when implemented in multi-cylinder engines, both by lowering the required frequency of active diesel particulate filter regeneration, and by reducing the backpressure imposed by exhaust filtration systems.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Shock tube investigation of high-temperature, extremely-rich oxidation of several co-optima biofuels for spark-ignition engines

To reduce the reliance on fossil fuels in the transportation sector and increase combustion efficiency, the Co-Optima initiative from US Department of Energy identified the top 10 biofuels for downsized, boosted, spark-ignition engines. Most of these biofuels have detailed reaction mechanisms available in literature developed based on studies at temperatures lower than 1700 K and an equivalence ratio of less than five. As such, the performance of these detailed mechanisms at high temperature and extremely rich conditions are unknown. It is important to validate kinetic mechanisms at these conditions because they are conducive to soot formation. Prediction of soot by chemical kinetic models relies on the prediction of underlying benchmark species like carbon monoxide and ethylene. In this work, we conduct high temperature (1700–2050 K) and high equivalence ratio(Φ=8.6) oxidation of these biofuels, namely 2,4,4-trimethyl-1-pentene (α-diisobutylene), ethanol, cyclopentanone, methyl acetate, and 2-methylfuran, blended in ethylene behind reflected shock waves at 4–4.7 atm pressure. Carbon monoxide and ethylene time histories are measured simultaneously using a continuous feedback quantum cascade laser near 4.9 µm and a tunable CO 2 gas laser at 10.532 nm, respectively. Results show that ethanol blend forms more carbon monoxide than other biofuels and consumes ethylene faster than the biofuel blends in the temperature range considered. Overall, the performance of different mechanisms in literature are evaluated against the experimental results. The novel reaction mechanism ‘the Co-Optima model’, which includes the sub mechanisms for all the biofuels in this study, was found to be the best mechanism for the experimental conditions studied.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Impacts of advanced diesel combustion operation and fuel formulation on soot nanostructure and reactivity

Advanced diesel combustion, accomplished via a single pulse fuel injection and high levels of exhaust gas recirculation (referred to as “PCCI”, partially-premixed charge compression ignition), is shown to be a path to reduce oxides of nitrogen and particulate matter simultaneously. This is well established in the literature. Less established is the extent to which such dilute combustion processes influence soot formation and affect soot that is emitted from diesel engines under such combustion modes. This work focuses on characterization of the nanostructure and oxidative reactivity of soot generated by a light-duty turbodiesel engine operating under a PCCI combustion mode, a dilute, low-temperature combustion process. Previous work on a type of PCCI combustion, referred to as high-efficiency clean combustion (HECC), showed soot samples having a fullerenic nanostructure, characterized by high levels of tortuosity of the fringe layers as seen in transmission electron micrograph images and as quantified using an image processing algorithm. Thermogravimetric analysis of the HECC mode soot samples showed that they displayed higher rates of oxidation than soot samples from a conventional diesel combustion mode. The present work returns to PCCI combustion, considering the timing of the main fuel injection, and the effects of operating on fuels rich in n-alkanes, particularly a fuel produced from a low temperature Fischer-Tropsch process (LTFT) and a renewable diesel fuel (RD) produced via hydrodeoxygenation of a plant oil. PCCI combustion conditions yield soot that shows higher reactivity compared to soot from the conventional combustion mode regardless of fuel type. LTFT and RD fuels produce soots with lower reactivity compared to ULSD. Soots produced from PCCI combustion have higher surface oxygen concentration and higher proportion of amorphous carbon. In addition, TEM images show that PCCI soots from all three fuels have smaller primary particle and particle aggregate sizes, and smaller graphene layers. These properties explain the higher reactivity of soot from PCCI combustion. The less reactive soots, which are produced from LTFT and RD fuel under conventional combustion, show internal burning during oxidation. However, soots with higher reactivity which are produced from late injection PCCI combustion and ULSD show shrinking core oxidation, most likely because of their overall amorphous structure.

42 ENGINEERING↗
DOE OSTI2023

Droplet burning of n-butyl acetate/n-heptane mixtures in the standard atmosphere: experiments and numerical modeling

Blending petroleum fuels with oxygenates is a common approach to stem the depletion of crude oil while also mitigating the impact of their combustion on the environment. It has recently been considered that n-butyl acetate (BA, C6H12O2 , boiling point of 399K) could be a viable oxygenate additive to diesel fuel. In this application it is important to determine the influence of the fractional amount of BA on burning of the mixture. This presentation considers this problem from an experimental and computational approach using n-heptane (C7H14 , boiling point of 372K) as an essentially single component surrogate for diesel fuel. The burning configuration considered was ostensibly spherical symmetry as promoted by burning droplets under conditions where forced and natural convection effects were minimized. In this configuration the droplet and flame are concentric spheres and soot aggregates are trapped in a shell structure between the droplet and flame. Measurements were made of the droplet, flame and soot shell diameters through video imaging of the burning process. The experimental results were used to validate a detailed numerical model of the spherically symmetric droplet burning process that incorporated a consistent combustion kinetic mechanism for BA/heptane mixtures, comprised of 402 species and 16,872 reactions inclusive of soot chemistry. A model for soot formation was also included in the simulation to predict formation of the soot shell. The simulations agreed well with measured droplet and flame diameters. It was found both experimentally and computationally that adding BA to heptane had a minimal effect on the mixture burning rate, while the flame was positioned closer to the droplet surface and the simulated soot volume fraction decreased. The implications of these results are discussed for using BA as a potential additive to diesel fuel.

09 BIOMASS FUELS↗