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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Resonance-stabilized radical clustering bridges the gap between gaseous precursors and soot in the inception stage

Carbonaceous particles are widespread in combustion, atmospheric, extraterrestrial, and nanomaterials environments. Resonance-stabilized radicals (RSRs) are commonly identified in fuel combustion and pyrolysis processes and play an essential role in carbonaceous particle formation. Despite their importance, comprehensive experimental and mechanistic understanding of particle inception through RSR reactions is lacking. This work investigated particle size distribution, chemical composition, and thermal behavior of soot particles generated by the flow reactor pyrolysis reactions of typical RSRs, in particular, 1-indenyl, 1-methylnaphthyl, and 2-methylnaphthyl radicals, and by the pyrolysis of hydrocarbons with a variety of structures. Particle size distributions show soot particles with mobility diameters in an incipient-particle range of 1.3 to 1.6 nm. Laser desorption/ionization mass spectrometry results suggest that soot products consist of much larger covalently bound clusters (CBCs) than those observed in the gas phase. Under our experimental conditions, the CBCs exhibit a phase transition for particles with calculated molecular diameters of around 1.5 nm. Evaporation experiments and thermogravimetric analysis of the soot products reveal distinct thermal characteristics for small and large CBCs. These results implicate CBCs as bridges between gas-phase species and soot particles. The present work provides a soot-inception mechanism called RSR clustering (RSRC) that is characterized by the reactive clustering of RSRs. The RSRC mechanism contrasts with conventional soot formation models that attribute soot inception primarily to the aggregation of large-size polycyclic aromatic hydrocarbons.

carbonaceous particle↗
DOE OSTI2025

Internally Catalyzed Hydrogen Atom Transfer (I-CHAT)—A New Class of Reactions in Combustion Chemistry

The current paradigm of low-T combustion and autoignition of hydrocarbons is based on the sequential two-step oxygenation of fuel radicals. The key chain-branching occurs when the second oxygenation adduct (OOQOOH) is isomerized releasing an OH radical and a key ketohydroperoxide (KHP) intermediate. The subsequent homolytic dissociation of relatively weak O–O bonds in KHP generates two more radicals in the oxidation chain leading to ignition. Based on the recently introduced intramolecular “catalytic hydrogen atom transfer” mechanism (J. Phys. Chem. 2024, 128, 2169), abbreviated here as I-CHAT, we have identified a novel unimolecular decomposition channel for KHPs to form their classical isomers—enol hydroperoxides (EHP). The uncertainty in the contribution of enols is typically due to the high computed barriers for conventional (“direct”) keto–enol tautomerization. Remarkably, the I-CHAT dramatically reduces such barriers. The novel mechanism can be regarded as an intramolecular version of the intermolecular relay transfer of H-atoms mediated by an external molecule following the general classification of such processes (Catal. Rev.-Sci. Eng. 2014, 56, 403). Here, we present a detailed mechanistic and kinetic analysis of the I-CHAT-facilitated pathways applied to n-hexane, n-heptane, and n-pentane models as prototype molecules for gasoline, diesel, and hybrid rocket fuels. We particularly examined the formation kinetics and subsequent dissociation of the γ-enol-hydroperoxide isomer of the most abundant pentane-derived isomer γ-C5-KHP observed experimentally. To gain molecular-level insight into the I-CHAT catalysis, we have also explored the role of the internal catalyst moieties using truncated models. All applied models demonstrated a significant reduction in the isomerization barriers, primarily due to the decreased ring strain in transition states. In addition, the longer-range and sequential H-migration processes were also identified and illustrated via a combined double keto–enol conversion of heptane-2,6-diketo-4-hydroperoxide as a potential chain-branching model. To assess the possible impact of the I-CHAT channels on global fuel combustion characteristics, we performed a detailed kinetic analysis of the isomerization and decomposition of γ-C5-KHP comparing I-CHAT with key alternative reactions—direct dissociation and Korcek channels. Calculated rate parameters were implemented into a modified version of the n-pentane kinetic model developed earlier using RMG automated model generation tools (ACS Omega, 2023, 8, 4908). Simulations of ignition delay times revealed the significant effect of the new pathways, suggesting an important role of the I-CHAT pathways in the low-T combustion of large alkanes.

Biochemistry & Molecular Biology↗
NASA NTRS1981

Demonstration of catalytic combustion with residual fuel

An experimental program was conducted to demonstrate catalytic combustion of a residual fuel oil. Three catalytic reactors, including a baseline configuration and two backup configurations based on baseline test results, were operated on No. 6 fuel oil. All reactors were multielement configurations consisting of ceramic honeycomb catalyzed with palladium on stabilized alumina. Stable operation on residual oil was demonstrated with the baseline configuration at a reactor inlet temperature of about 825 K (1025 F). At low inlet temperature, operation was precluded by apparent plugging of the catalytic reactor with residual oil. Reduced plugging tendency was demonstrated in the backup reactors by increasing the size of the catalyst channels at the reactor inlet, but plugging still occurred at inlet temperature below 725 K (845 F). Operation at the original design inlet temperature of 589 K (600 F) could not be demonstrated. Combustion efficiency above 99.5% was obtained with less than 5% reactor pressure drop. Thermally formed NO sub x levels were very low (less than 0.5 g NO2/kg fuel) but nearly 100% conversion of fuel-bound nitrogen to NO sub x was observed.

Dodds, W. J.↗
NASA NTRS1991

New estimates of nitrous oxide emissions from biomass burning

The recent discovery of an artifact producing increased levels of N2O in combustion gas samples collected and stored in grab bottles before chemical analysis has resulted in the downgrading of fossil-fuel combustion and the questioning of biomass burning as important sources of N2O. As almost all reported analyses of N2O produced from biomass burning have involved essentially the same collection and analysis protocols as used in the fossil-fuel studies, this source of N2O must also be reexamined. Here, measurements of N2O made over a large prescribed fire using a near real-time in situ measurement technique are reported and compared with measurements of N2O from simultaneously collected grab-bottle samples. The results from 27 small laboratory biomass test fires are also used to help clarify the validity of earlier assessments. It is concluded that biomass burning contributes about seven percent of atmospheric N2O, as opposed to earlier estimates of several times this value.

Cofer, W. R., III↗
NASA NTRS1981

Investigations of coherent anti-Stokes Raman spectroscopy /CARS/ for practical combustion diagnostics

Coherent anti-Stokes Raman spectroscopy (CARS) is a coherent wave-mixing process in which the signal emerges as a laser-like beam in a precise direction. The spectroscopic technique is appropriate to spatially and temporally resolved measurements of temperature and major species concentrations in combustion. It has been generated from all of the dominant constituents in air-fed, hydrogen, and hydrocarbon fueled combustion, and found applicable to practical combustion systems. High pressure effects on CARS spectra have also been examined.

Eckbreth, A. C.↗
NASA NTRSDate not supplied

Lean Blowout (LBO) Simulations in a Rich-Burn Quick-Quench Lean-Burn (RQL) Gas Turbine Combustor

The transient processes involving lean blowout (LBO) in a RQL combustor such as the single cup combustor in the National Jet Fuels Combustion Program (NJFCP) referee rig are simulated with the reduced mechanisms based on Hybrid Chemistry for two different fuels, Cat-A2 and Cat-C1. Cat-A2 fuel is Jet-A with average or nominal properties based on a survey of the Petroleum Quality Information System database. The Cat-C1, an alternative jet fuel, is a GEVO alcohol-to-jet (ATJ) fuel composed almost entirely of two highly-branched C12 and C16 iso-paraffins. Experiments conducted in the NJFCP referee rig established a stable flame at an equivalence ratio of 0.096 (the near LBO condition) as the starting condition for LBO tests performed with all Category A and C fuels. Simulations of the approach to LBO verify that a stable flame is established at the near-LBO condition for each fuel before reducing fuel flow rate (and thus equivalence ratio) in a step-wise manner. At each new equivalence ratio, the global heat release rate and total fuel evaporation time histories are monitored to verify a new stable flame condition has been established before performing the next reduction in equivalence ratio until the flame is approaching the blowout. Main conclusions are threefold: (1) For Cat-C1 fuel the equivalence ratio for LBO is around 0.087. (2) For Cat-A2 fuel the equivalence ratio for LBO is either 0.082 or 0.078 depended on the time span of equivalence ratio of 0.085. (3) The averaged difference from LES on LBO for Cat-C1 relative to Cat-A2 is 8.75% versus 7.8% from the experimental data.

LES, Lean blow out↗
NASA NTRSDate not supplied

Assessment of the Fluid Network for the Effusion Holes in a RQL (Rich-burn, Quick-quench, Lean-burn) Gas Turbine Combustor

The transient processes involving lean blowout (LBO) in a RQL combustor such as the single cup combustor in the National Jet Fuels Combustion Program (NJFCP) referee rig are simulated with the reduced mechanisms based on Hybrid Chemistry for three different fuels, A2, C1 and C4. Experiments conducted in the NJFCP referee rig established a stable flame at a global equivalence ratio of 0.096 (the near LBO condition) as the starting condition for LBO tests performed with all A and C fuels. Simulations of the approach to LBO verify that a stable flame is established at the near-LBO condition for each fuel before reducing fuel flow rate (and thus equivalence ratio) in a stepwise manner. Main conclusions are: (1) For A2 fuel the equivalence ratio for LBO is 0.081 (2) For C1 fuel the equivalence ratio for LBO is 0.087 or 0.085depended on different step-down transition paths. (3) For C4 fuel the equivalence ratio for LBO is 0.087 or 0.084 depended on types of mesh or boundary conditions. (4) The fuel relative difference from LES on LBO for C1 fuel relative to A2 fuel is 7.40% or 4.94% versus 7.83% from the experimental data. (5) The fuel relative difference from LES on LBO for C4 fuel relative to A2 is 6.17% or 7.69% versus 5.21% from the experimental data

Lean blow out↗
NASA NTRSDate not supplied

Assessment of the Fluid Network for the Effusion Holes in a RQL (Rich-burn, Quick-quench, Lean-burn) Gas Turbine Combustor

The transient processes involving lean blowout (LBO) in a RQL combustor such as the single cup combustor in the National Jet Fuels Combustion Program (NJFCP) referee rig are simulated with the reduced mechanisms based on Hybrid Chemistry for three different fuels, A2, C1 and C4. Experiments conducted in the NJFCP referee rig established a stable flame at a global equivalence ratio of 0.096 (the near LBO condition) as the starting condition for LBO tests performed with all A and C fuels. Simulations of the approach to LBO verify that a stable flame is established at the near-LBO condition for each fuel before reducing fuel flow rate (and thus equivalence ratio) in a stepwise manner. Main conclusions are: (1) For A2 fuel the equivalence ratio for LBO is 0.081 (2) For C1 fuel the equivalence ratio for LBO is 0.087 or 0.085 depended on different step-down transition paths. (3) For C4 fuel the equivalence ratio for LBO is 0.087 or 0.084 depended on types of mesh or boundary conditions. (4) The fuel relative difference from LES on LBO for C1 fuel relative to A2 fuel is 7.40% or 4.94% versus 7.83% from the experimental data. (5) The fuel relative difference from LES on LBO for C4 fuel relative to A2 is 6.17% or 7.69% versus 5.21% from the experimental data.

Lean Blow out↗
NASA NTRS1993

Combustion of solid fuel in very low speed oxygen streams

In reduced gravity, the combustion of solid fuel in low-speed flow can be studied. The flame behavior in this low-speed regime will fill a void in our understanding of the flow effect on combustion. In addition, it is important for spacecraft fire safety considerations. In this work, modeling and experimental work on low-speed forced-concurrent-flow flame spread are carried out. In addition, experiments on reduced-gravity buoyant-flow flame spread are performed.

Tien, James S.↗
NASA NTRS2008

Stagnation point reverse flow combustor

A method for combusting a combustible fuel includes providing a vessel having an opening near a proximate end and a closed distal end defining a combustion chamber. A combustible reactants mixture is presented into the combustion chamber. The combustible reactants mixture is ignited creating a flame and combustion products. The closed end of the combustion chamber is utilized for directing combustion products toward the opening of the combustion chamber creating a reverse flow of combustion products within the combustion chamber. The reverse flow of combustion products is intermixed with combustible reactants mixture to maintain the flame.

Zinn, Ben T.↗
NASA NTRSDate not supplied

Numerical Simulation of Lean Blowout of Alternative Fuels in 7-element Lean Direct Injector

This research presents the result of numerically simulating 7-element swirl-venturi Lean Direct Injector (SV-LDI) lean blowout (LBO) experiments conducted at NASA Glenn Research Center in May of 2019. After simulating a cold flow case to confirm the pressure drop agrees well with the experiment, additional cases with two different fuels (an average jet fuel and a Gevo alcohol-to-jet fuel) from the National Jet Fuels Combustion Program (NJFCP) were computed to numerically determine the LBO condition. The procedure to approach the LBO follows the method used in the experiment where the air mass flow rate is gradually increased while the fuel supply is maintained. Transient history of global heat release rate as a function of air flow rate is presented, as well as temperature contours at different conditions to give a visual representation of the flame state. The Open National Combustion Code (OpenNCC) used in this research adopted reduced HyChem (Hybrid Chemistry) models along with k-LES turbulence model and a Lagrangian spray model that takes into account droplet internal temperature distribution affected by the shear force on the droplet surface. The transport equations and chemical reaction terms are integrated together to enhance conservation of chemical species that are especially important in the near LBO conditions. After showing the computed range of LBO agrees well with the experimental measurements, time averaged solutions of both fuels at their initial condition and at their limiting condition just before LBO are compared in detail to facilitate the understanding of LBO mechanism.

combustion↗
DOE OSTI2020

Segmented annular combustion system with axial fuel staging

A segmented annular combustion system includes an alternating arrangement of fuel nozzles and integrated combustor nozzles. The fuel nozzles deliver fuel to the primary combustion zones. The integrated combustor nozzles include an inner liner segment, an outer liner segment, and a fuel injection panel extending between the liner segments. The fuel injection panel includes injection outlets on one or both side walls to deliver a combustible mixture to the secondary combustion zones. Each fuel injection panel, which provides a boundary between adjacent primary and secondary combustion zones, includes an aft end that defines a turbine nozzle. The segmented annular combustion system is part of a gas turbine.

02 PETROLEUM↗
NASA NTRS1991

Scramjet mixing establishment times for a pulse facility

A numerical simulation of the temporally developing flow through a generic scramjet combustor duct is presented for stagnation conditions typical of flight at Mach 13 as produced by a shock tunnel pulse facility. The particular focus is to examine the start up transients and to determine the time required for certain flow parameters to become established. The calculations were made with a Navier-Stokes solver SPARK with temporally relaxing inflow conditions derived from operation of the T4 shock tunnel at the University of Queensland in Australia. Calculations at nominal steady inflow conditions were made for comparison. The generic combustor geometry includes the injection of hydrogen fuel from the base of a centrally located strut. In both cases, the flow was assumed laminar and fuel combustion was not included. The establishment process is presented for viscous parameters in the boundary layer and for parameters related to the fuel mixing.

Rogers, R. Clayton↗
DOE OSTI2020

Mixing-Controlled CI Combustion and Fuel-Effects Research

This project is focused on developing advanced combustion strategies for mixing-controlled compressionignition (i.e., diesel-cycle) engines that are synergistic with renewable and/or unconventional fuels in a manner that enhances domestic energy security, economic competitiveness, and environmental quality. During this reporting period, the focus was on ducted fuel injection (DFI), a technology that differs from conventional diesel combustion (CDC) in that it involves injecting fuel along the axis of one or more small cylindrical ducts within the combustion chamber. Each duct performs a function similar to the tube on a Bunsen burner, helping to premix the fuel with the charge-gas before ignition, creating a stable flame that forms little to no soot. The purpose of the work conducted during Fiscal Year (FY) 2019 was to begin determining the extent to which the use of oxygenated fuels, when combined with DFI and charge-gas dilution, can simultaneously lower the soot and nitrogen-oxides (N0 x ) emissions from mixing-controlled compression-ignition engines, and what the corresponding impacts on other regulated emissions and efficiency are likely to be.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

FLEX-FUEL MIXING CONTROLLED COMBUSTION ENABLED BY PRECHAMBER IGNITION

There is an imminent need to displace fossil diesel fuel with cleaner burning, domestically produced, renewable fuels for use in heavy-duty engines. Bioethanol is a prime candidate as it widely adopted in the U.S. as a gasoline additive ranging in volume percentage from 10% (E10) up to 85% (E85). Direct substitution of market available ethanol-gasoline blends for diesel fuel is not plausible as the stark reactivity differences would not constitute the same ignition quality nor achieve auto-ignition at all. This work focuses on the development of prechamber enabled mixing-controlled combustion (PC-MCC) as an advanced combustion strategy to facilitate reliable ignition and diffusion style combustion ethanol-gasoline fuel blends. PC-MCC involves integration of an actively fueled prechamber (PC) into a conventional compression ignition combustion system. When ignited, the PC ejects hot turbulent jets into the main combustion chamber that then interact with the direct injected fuel, prompting immediate ignition. The PC jet flames provide a robust thermal ignition source that allows the engine to operate agnostic of fuel composition, or flex-fuel. Computational fluid dynamics (CFD) modeling was used to assess critical design features of the PC while garnering insights into the ignition strategies that facilitate robust performance. A key finding was the ignition performance benefits of fuel-rich PC operation which yield exothermic jets. Based on the numerical findings, a prototype igniter was tested experimentally on both single and multi-cylinder engine platforms at a variety of operating conditions. The experimental results indicate flex-fuel PC-MCC is well capable of diesel-like combustion processes by demonstrating matched or improved gross thermal efficiencies and load variability within 2%. Fuel grade ethanol (E98) exhibited consistently lower NOx and immeasurable soot across the load space. E98 also demonstrated a significant improvement in thermal efficiency at light loads.

Zeman, Jared↗
NASA NTRS2011

HIFiRE Direct-Connect Rig (HDCR) Phase I Scramjet Test Results from the NASA Langley Arc-Heated Scramjet Test Facility

A series of hydrocarbon-fueled direct-connect scramjet ground tests has been completed in the NASA Langley Arc-Heated Scramjet Test Facility (AHSTF) at simulated Mach 8 flight conditions. These experiments were part of an initial test phase to support Flight 2 of the Hypersonic International Flight Research Experimentation (HIFiRE) Program. In this flight experiment, a hydrocarbon-fueled scramjet is intended to demonstrate transition from dual-mode to scramjet-mode operation and verify the scramjet performance prediction and design tools A performance goal is the achievement of a combusted fuel equivalence ratio greater than 0.7 while in scramjet mode. The ground test rig, designated the HIFiRE Direct Connect Rig (HDCR), is a full-scale, heat sink test article that duplicates both the flowpath lines and a majority of the instrumentation layout of the isolator and combustor portion of the flight test hardware. The primary objectives of the HDCR Phase I tests were to verify the operability of the HIFiRE isolator/combustor across the simulated Mach 6-8 flight regime and to establish a fuel distribution schedule to ensure a successful mode transition. Both of these objectives were achieved prior to the HiFIRE Flight 2 payload Critical Design Review. Mach 8 ground test results are presented in this report, including flowpath surface pressure distributions that demonstrate the operation of the flowpath in scramjet-mode over a small range of test conditions around the nominal Mach 8 simulation, as well as over a range of fuel equivalence ratios. Flowpath analysis using ground test data is presented elsewhere; however, limited comparisons with analytical predictions suggest that both scramjet-mode operation and the combustion performance objective are achieved at Mach 8 conditions.

Cabell, Karen↗