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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Experimental and numerical investigation of flame stabilization and pollutant formation in matrix stabilized ammonia-hydrogen combustion

Ammonia (NH 3 ) is a carbon-free fuel that offers an attractive alternative for reducing greenhouse gas emissions. However, the slow flame speed, low heating value, and emissions of nitrogen-containing pollutants present significant issues for practical combustion applications. To address these issues, we investigate the use of matrix stabilized combustion. In this type of burner, combustion is performed within an inert porous ceramic foam, heat is recirculated by solid conduction and radiation, which enhances flame speed and combustion stabilization, thereby permitting combustion over a wide range of equivalence ratio conditions. We present a new porous media burner (PMB) capable of stabilizing NH 3 /air flames at ambient conditions. An extensive experimental characterization of the stability of this burner is conducted with up to 30% by volume of hydrogen (H 2 ) in the fuel stream. A 15:1 turndown ratio is demonstrated, with a high thermal power density of 62 MW m -3 . Concentrations of NO, unburnt NH 3 , and H 2 in the exhaust stream are measured. Two regimes are identified for low NO operation: rich and very lean. For rich conditions, NO emissions decrease with increasing equivalence ratio and decreasing H 2 blending. Unburnt NH 3 emissions follow opposite trends. These measurements are complemented by simulations in which the burner is represented by a coupled solid-gas reactor network. In conclusion, this model captures the burner’s pollutant emissions to good accuracy and is used to analyze the mechanisms of pollutant formation.

42 ENGINEERING↗
DOE OSTI2023

Computational diagnostics for flame acceleration and transition to detonation in a hydrogen/air mixture

A new computational diagnostic method for pressure-induced compressibility is proposed by projecting its local contribution to the chemical explosive mode (CEM) in the chemical explosive mode analysis (CEMA) framework. The new method is validated for the study of detonation development during the deflagration-to-detonation transition (DDT) process. The flame characteristics are identified through the quantification of individual CEM contributions of chemical reaction, diffusion, and pressure-induced compressibility. Numerical simulations are performed to investigate the DDT processes in a stoichiometric hydrogen-air mixture. A Godunov algorithm, fifth-order in space, and third-order in time are used to solve the fully compressible Navier-Stokes equations on a dynamically adapting mesh. A single-step, calibrated chemical diffusive model (CDM) described by Arrhenius kinetics is used for energy release and conservation between the fuel and the product. The new diagnostic method is first applied to onedimensional (1D) canonical flame configurations followed by two-dimensional (2D) simulations of DDT in an obstructed channel where different detonation initiation scenarios are examined using the new CEMA projection formulation. Detailed examinations of the idealized configuration of detonation initiation through shock focusing mechanism at a flame front are also studied using the new formulation. A comparison of the currently proposed CEMA projection and the original formulation by the authors suggests that including the pressure-induced compressibility is essential for the use of CEMA in DDT process. The results also show that the new formulation of CEMA projection can successively capture the detonation initiation through either a gradient mechanism or a direct initiation mechanism, and therefore can be used as an effective local analytical tool for the computational diagnostics of detonation initiation in a DDT process. It was found that detonation development is characterized by a strong contribution of chemistry role to the CEM which is pivotal to the initiation of detonation. The role of compressibility is found enhanced at the edge of the detonation front where diffusion was found to have minimal effects on detonation development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Spatially-resolved soot evolution and statistics in high-pressure diesel spray flames using two-color pyrometry

Previous studies of diesel spray flames have focused on details of the sooting behavior mainly during the quasi-steady period, but few have considered the spatially-resolved transient evolution in combination with injection-to-injection variations. In this study, a 500-injection data set is utilized to investigate the temporal evolution of a spray flame during auto-ignition, the premixed burn phase, and the quasi-steady period. Spatially-resolved OH* chemiluminescence data provide ignition delay times and reaction zone locations. Two-color pyrom-etry with a vastly improved optical system is used to quantify spatially-resolved soot evolution and its statistical variations. The ambient thermodynamic con-ditions are slightly below those in modern diesel engines, resulting in longer lift-off lengths and lower overall soot production. Spatially, soot formation in the lift-off region is small, but appreciable soot forms in the jet core and jet head regions, while it oxidizes gradually on the jet periphery. Total soot mass profiles indicate that regions with larger local soot mass take longer to form, but are the first to oxidize. Probability distributions of soot mass in localized regions indicate that a few injections with high soot mass bias the average soot mass data towards higher values. Altogether, results show good agreement with previous studies employing different diagnostic techniques while providing statistical details of transient and localized soot behavior in high pressure diesel spray flames in support of the related modeling efforts.

09 BIOMASS FUELS↗
DOE OSTI2024

An experimental, theoretical, and kinetic modeling study of post-flame oxidation of ammonia

The post -flame oxidation rate of ammonia was investigated in a novel atmospheric pressure flow reactor at temperatures of 1280 ± 16 K and as a function of residence time and mixture composition (1-10% O 2 , dry and moist). The experimental results, as well as selected data from literature, were analyzed using an updated detailed chemical kinetic model. The medium temperature, very lean conditions enhance the importance of reactions of the nitroxyl (HNO) intermediate. High-level theory was used to calculate the rate constant for HNO + NH 2 , indicating that this step is significantly faster than values used in literature. Furthermore, a trajectory based approach was used to determine collision efficiencies for selected bath gases for HNO + M. The experimental results show that the NH 3 oxidation rate increases with temperature and O 2 concentration, while the presence of water vapor slightly inhibits reaction. Formation of NO and N 2 O was strongly promoted at higher levels of O 2 . Modeling results agreed well with the measurements, except at the lowest level of O 2 . The predicted oxidation rate of NH 3 was shown to result from a delicate balance between chain branching and terminating steps involving NH 2 , H 2 NO, and HNO. Recent theoretical work on reactions of these species by Klippenstein and coworkers and Stagni et al. was instrumental in improving modeling predictions. After initiation, NO reached a pseudo -steady-state level, where the pathways to NO were largely balanced by the NH 2 + NO reaction. Nitric oxide was partly oxidized to NO 2 , with the NH 2 + NO 2 reaction responsible for most of the N 2 O formation. Novelty and significance statement: This study provides the first detailed kinetic analysis of the lean postflame oxidation of ammonia, based on time -resolved flow reactor data in a novel reactor. In addition to the post -flame oxidation rate of ammonia, data for formation of NO and N 2 O were compared with modeling predictions. The medium temperature, very lean conditions enhance the importance of reactions of the HNO and H 2 NO intermediates. Inclusion in the model of results from recent high-level theoretical work, including present calculations for HNO + NH 2 and HNO + M, was crucial for capturing the observed behavior. It is argued that the post -initiation steady-state NH 3 oxidation rates constitute important data for model validation, along with ignition delays and laminar flame speeds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Understanding the ignition process and flame structure of conventional and oxygenated fuels under engine relevant conditions – An optical study

Renewably generated synthetic fuels such as poly-oxymethylene ethers (OME) have a significant potential to effectively break the soot-NOX trade-off in compression ignition engines by using exhaust gas recirculation (EGR) to maintain low nitrogen oxide (NOX) emissions while maintaining good efficiency and simultaneously contributing to circular carbon economy. However, owing to the fundamental differences in properties of OME when compared to fossil-based diesel fuels, it is critical to fully understand its ignition and combustion phenomenology to take advantage of this fuel to its utmost potential. In this context, this work outlines the results of a systematic experimental study performed in a heavy-duty, single-cylinder, optical engine probing the spatial and temporal progression of fuel decomposition and ignition behavior of OME when compared to n-dodecane, a diesel-fuel surrogate. Thermodynamic analysis and optical diagnostics techniques including simultaneous HCHO-PLIF and OH-PLIF complemented by high-speed OH* chemiluminescence were employed along with parametric sweeps of intake temperature and EGR dilution rates. OME does not exhibit any observable low temperature heat release irrespective of the ambient oxygen concentration. Differences in the observed diffusive flame structure such as longer flame lift-off length, less pronounced combustion recession, faster premixed burn at ignition (“volumetric” ignition), non-sooting behavior suggest that the inherent presence of fuel-bound oxygen in OME can skew the air-fuel ratio (AFR) distribution within the jet thereby reducing the reliance of combustion on mixing and air entrainment. This leads to rapid late-cycle oxidation leading to shorter combustion duration and favorable combustion phasing. Results also suggest that OME exhibits relatively weak negative temperature coefficient (NTC) behavior, however, the OME fuel-decomposition kinetic-pathways produce significant concentration of HCHO, which might be erroneously interpreted as a product of cool-flames.

Air-fuel ratio↗
DOE OSTI2025

Aldehyde cool-flame chemistry explains a missing source of organic acids

Combustion emission is a significant source of organic acids, impacting atmospheric chemistry and climate. Their formation mechanisms, however, remain poorly understood, leading to underestimation in kinetic models. We investigate the cool-flame oxidation of key combustion intermediates—C 1 –C 4 aldehydes and benzaldehyde. Using in-situ synchrotron vacuum ultraviolet photoionization mass spectrometry, we observe the direct conversion of aldehydes to organic acids, a process enhanced by HO 2 radicals. Quantum chemistry calculations reveal that the reaction of RC(O)O 2 with HO 2 on the singlet potential energy surface contributes to organic acids. Incorporating this pathway into a kinetic model significantly improves organic acid prediction. Despite the high-temperature nature of engine combustion, significant spatial and temporal inhomogeneities (e.g., near-wall regions and crevice volumes) lead to localized cool-flame conditions, facilitating organic acid formation and emission. Elucidating the acid formation under cool-flame conditions provides a critical mechanism for accurately modelling anthropogenic organic acid emissions and developing mitigation strategies.

SVUV-PIMS↗
DOE OSTI2021

Large-eddy simulation of a multi-injection flame in a diesel engine environment using an unsteady flamelet/progress variable approach

In this work, large-eddy simulations (LESs) are conducted for a multiple-injection flame in a diesel engine environment using an unsteady flamelet/progress variable (UFPV) approach in which differential diffusion is considered. The suitability of the UFPV tabulation approach is first evaluated through a priori analyses using the state-of-the-art direct numerical simulation (DNS) dataset. Both the instantaneous data and the conditional values for the major and minor species' mass fractions are compared between the UFPV and the DNS. The comparisons show that the proposed UFPV tabulation approach can give good predictions for the multiple-injection flame at different injection phases. While the gas temperature and major species mass fractions can be accurately predicted with or without differential diffusion being considered in the UFPV flamelet library, the prediction accuracy for the highly diffusive species (e.g., hydrogen) in the main injection phase can be noticeably improved when differential diffusion is taken into account. The fully coupled LES/UFPV simulations show that the overall structure of the multiple-injection flame can be predicted, and the conditional thermo-chemical values are close to the filtered DNS dataset. The reasons for the remaining discrepancies found in the a priori analyses and the a posteriori simulations using the UFPV approach are analyzed.

Wen, Xu (ORCID:0000000331334292)↗
DOE OSTI2024

Heat Transfer Through a Passive Fire Protective Board from an Impinging Hydrogen Flame

This report documents analysis to determine whether a hydrogen jet flame impinging on a tunnel ceiling structure could result in permanent damage to the Callahan tunnel in Boston, Massachusetts. This tunnel ceiling structure consists of a passive fire protective board supported by stainless steel hangers anchored to the tunnel ceiling with epoxy. Three types of fire protective boards were considered to determine whether heat from the flame could reach the stainless-steel hangers and the epoxy and cause the ceiling structure to collapse. Heat transfer analyses performed showed that the temperature remains constant where the steel hangers are attached to the passive fire protective board. According to these results, the passive fire protective board should provide adequate protection to the tunnel structure in this release scenario. Tunnel structures with similar suspended fire-resistant liner board materials should protect the integrity of the structure against the extremely low probability of an impinging hydrogen jet flame.

08 HYDROGEN↗
DOE OSTI2024

Flashback Measurements in Hydrogen Enriched Low Swirl Flames Using High Speed OH-PLIF

The fundamentals of stabilized flame dynamics and flashback events in a premixed low swirl burner (LSB) configuration are visualized experimentally using nanosecond (ns)-based high-speed hydroxyl radical planar laser-induced fluorescence (OH-PLIF). Swirlers with two different turning angles, 〖26〗^o and 〖33〗^o and three different center-body hole diameters, 1.08, 1.12 and 1.16 mm with measured swirl numbers varying from 0.43 to 0.49 are tested in this study at atmospheric temperature and pressure inlet conditions. An increase in flashback propensity is observed with increasing ϕ, X_(H_2 ) and decreasing V via detailed investigation of flame lift-off length (L) above the burner rim. Flashback ϕ (ϕ_FB) investigations show an expected linearly increasing trend with decreasing X_(H_2 ) and increasing V for each swirler studied and the results agree well with detailed L investigations in a stable flame configuration. ϕ_FB studies for different swirlers show an increase in flashback resistance with the increase in center-body hole diameter and swirl angle. Spatiotemporally resolved kHz-rate OH-PLIF is a promising technique to observe rapidly occurring flashback events and it can be applied for turbulence-chemistry interaction model validation.

Parajuli, Pradeep↗
DOE OSTI2025

Combined TDLAS and chemiluminescence imaging in a flat flame burner operated with NH3/H2 blends

Ammonia is viewed as a viable hydrogen carrier due to favorable storage and transport characteristics. While it can be re-converted to hydrogen at point-of-use via thermal catalytic cracking, direct utilization in combustion systems can result in reduced costs and improved efficiency. A major barrier to this approach is the low flammability and potential for high nitrogen oxide emissions, driven by fuel-bound nitrogen and complex kinetic pathways. While a number of kinetic mechanisms currently exist for simulating ammonia combustion, a major need continues to be direct information about species profiles in easy-to-model systems capable of isolating chemical kinetics from multi-dimensional fluid dynamic effects. This paper reports on recent species measurements made in a flat flame burner using a combined tunable-diode-laser-absorption-spectroscopy (TDLAS) and chemiluminescence imaging approach. Three flame conditions were included representative of NH3/H2 blends, partially cracked NH3 (inc. N2), and 100% NH3 with enhanced air (30% oxygen). Two NIR distributed feedback (DFB) laser diodes were used to determine H2O concentration and temperature (via ratio thermometry) at various radial and axial positions, after which an inverse Abel transform was used to infer centerline values. Companion images were collected using a Princeton Instrument PI-MAX intensified camera equipped with a 105mm UV lens and multiple filter sets targeting OH*, NH*, and NH2* emission. Results were compared to companion Cantera burner-stabilized flame simulations using various kinetic mechanisms. A recent mechanism including excited species chemistry was also included, to investigate whether excited and ground state profiles exhibit significant differences.

ammonia combustion↗
DOE OSTI2024

Influence of Natural Gas Addition on Combustion Instabilities on a Lean-Premixed Hydrogen Flame

The influence of fuel composition on combustion instabilities in a high-pressure combustor operated with hydrogen and natural gas fuels is characterized. A micromix multi-stage injector with 19 elements is used to introduce hydrogen and natural gas premixed with heated air into an optically accessible combustor. As the equivalence ratio and flame temperature is varied along with change in hydrogen fraction in the fuel, self-excited longitudinal instabilities are observed in the combustor. The instability amplitude reduces considerably as hydrogen fraction is increased. This sensitivity differs at higher flame temperature, with large amplitude instabilities attenuating at lower hydrogen fractions for flames with more thermal power. Increasing hydrogen concentration is shown, through kinetic modeling, to decrease the bulk reaction timescale linearly with observed instability amplitude. Spatial distribution of heat release in the combustor evaluated from OH* chemiluminescence imaging reveals excitation of primarily the 2L mode in the combustion chamber at ~1100 Hz, at all equivalence ratios and fuel compositions. Increasing equivalence ratio and hydrogen addition decreases the length of the positively correlated region, which leads to instability dampening.

08 HYDROGEN↗
DOE OSTI2024

Dual-pump Coherent anti-Stokes Raman scattering measurements in H 2 /CH 4 Counterflow Flames

Temperature and major species concentration measurements are reported in a Williams Seshadri counterflow burner using dual-pump coherent anti-Stokes Raman scattering (DPCARS). Hencken burner H2/Air flames with equivalence ratio of 0.8-1.4 were used to characterize the accuracy of the system. The mean errors for temperature, XH2/XN2 mole fraction ratio, and XO2/XN2 mole fraction ratio are 1.0%, 14.7%, and 5.5%, respectively. The counterflow burner uses a CH4, H2, and N2 mixture as fuel and synthetic air as oxidizer. Measurements were performed along the counterflow burner central axis for two different fuel compositions: 4% H2/86% CH4/10% N2 and 87%H2/3% CH4/10% N2. The measured temperature and species mole fractions agree well with the 1-D opposed-flow diffusion flame simulation. One observation is that the fuel inlet temperature is higher than 300 K, which suggests the possibility of the stagnation plane residing closer to the fuel side. Lastly, these measurements provide valuable data for testing and validation of advanced 2-D flame models.

Murdock, Benjamin K.↗
DOE OSTI2023

Comparing Early Evolution of Flames in X-Ray Bursts in Two and Three Dimensions

We explore the early evolution of flame ignition and spreading on the surface of a neutron star in three dimensions, in the context of X-ray bursts. We look at the nucleosynthesis and morphology of the burning front and compare to two-dimensional axisymmetric simulations to gauge how important a full three-dimensional treatment of the flame is for the early dynamics. Finally, we discuss the progress toward full-star resolved flame simulations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Flame based fluidized bed reactor for nanomaterials production

The present development is a reactor system for the production of nanostructures. The reactor system comprises a conical reactor body designed to maintain an upwardly directed vertical plasma flame and hydrocarbon flame. The reactor system further includes a metal powder feed that feeds into the plasma flame, a cyclone and a dust removal unit. The system is designed to produce up to 100 grams of metal oxide nanomaterials per minute.

Sunkara, Mahendra↗
DOE OSTI2024

Effect of Pressure on Structure and Extinction of Counterflow Premixed Ammonia/Air Flames

With the growing interest in ammonia as a carbon-free fuel, numerous recent research efforts on fundamental combustion characteristics of ammonia have been reported. Despite this attention, there remain fundamental aspects that lack experimental investigation or validated chemical kinetic models. Specifically, the understanding of ammonia flame structure and the quantification of extinction limits at elevated pressures are incomplete. Furthermore, the chemistry of NOx in relation to ammonia flames has not been thoroughly examined, especially at pressure, and it is useful to explore the operating conditions that exhibit favorable flame stability with minimal NOx formation. In the current work, key characteristics of ammonia/air combustion, including strain-induced extinction limits and NO* chemiluminescence, are experimentally investigated over a wide range of equivalence ratios and pressures. This paper presents initial results in a study directed to improved comprehension of ammonia combustion chemistry, and acquisition of new datasets under elevated pressure and temperature conditions, to better refine rate expressions for important reactions in ammonia combustion.

08 HYDROGEN↗
DOE OSTI2023

Reactor Network Analysis with Various Reaction Mechanisms to Investigate Hydrogen vs. Methane Fuel at Varying Flame Temperatures with Experimental Data

Emissions data were evaluated for a set of test hardware that adapts Collins Aerospace’s aeroengine liquid fueled injector technology to a ground-based turbine. The hardware was specifically developed to operate on 100% hydrogen; however it has the ability to operate on both pure methane and hydrogen and mixtures in between. 16 injector configurations and seven factors (air split, fuel and air swirl, pressure drop, preheat temperature, fuel composition, and flame temperature) were investigated based on a Box Behnken statistical model. Of the 16, configuration 3 was selected for further discussion being in the middle of the statistical design space. A chemical reactor network was developed based on the experimental data obtained and was assessed with three different mechanisms: GRI Mech 3.0, UCSD, and Galway. All factors were held constant except the fuel composition to directly compare chemical pathways for methane and hydrogen. This study was conducted across different flame temperatures of 1500K, 1675K, and 1850K for both hydrogen and methane. Additional lower flame temperatures of 1100K and 1300K were evaluated for hydrogen. Moreover, results for fully premixed and non-premixed results were compared to obtain information on the implications of mixedness on emissions. These results were compared with the Leonard and Stegmaier plot for methane and a similar plot was constructed for hydrogen.

08 HYDROGEN↗
DOE OSTI2025

Towards stabilization of pressurized oxy-coal diffusion flames

Designing an effective burner is vital for the development of pressurized oxy-fuel combustion technologies. Turbulent jet diffusion burners are adopted for the pressurized oxy-combustor in this research and a bluff-body is employed to create a recirculation zone to stabilize the flame in pressurized oxy-combustor. The objective of this numerical work is to perform a systematic analysis of the characteristics of this pressurized non-premixed flame. Specifically, a 15-bar POFC combustor of power 100 kWth is modeled employing the Ansys FLUENT commercial platform, using Reynolds-averaged Navier-Stokes (RANS) modeling. The present computational work focuses on identifying the aerothermodynamic features of the isothermal and reacting flow with a disk-shape bluff-body. Results show that fuel-oxidizer stream momentum ratio has great impacts on the temperature profile of the down-fired, co-axial, pressurized oxy-coal, diffusion flame. Parametric study of the width of the burner tip identifies an optimal range for this pressurized burner.

Li, Lei↗
DOE OSTI2024

Impact of a Bluff Body on a Pressurized Oxy-fuel Flame

Designing an effective burner is vital for the development of pressurized oxy-fuel combustion technologies. In the present work, turbulent jet diffusion burners are adopted for a pressurized oxy-combustor, with a bluff-body employed to create a recirculation zone, thereby stabilizing the flame in such a combustor. The objective of this numerical study is to perform a systematic analysis of the characteristics of such a pressurized non-premixed flame. Specifically, a 15-bar pressurized oxy-fuel combustor of power 100 kWth is modeled by means of the Ansys FLUENT commercial platform, using the Reynolds-averaged Navier-Stokes (RANS) approach. The present work focuses on identifying the aerothermodynamic features of the pressurized oxy-fuel burner with a disk-shape bluff-body. It is shown that the fuel-to-oxidizer stream momentum ratio has a great impact on the temperature profile of the down-fired, co-axial, pressurized oxy-coal, diffusion flame. A parametric study of the blockage ratio of the burner identifies an optimal range for this pressurized burner.

Li, Lei↗