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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 19 records

Hydrogen Combustion Research at NETL

Presentation made at the 2022 University Turbine Systems Research (UTSR) and Advanced Turbines Program Review Meeting in San Diego, CA, September 27-29, 2022.

Strakey, Peter↗

Development of Novel Combustion Codes for Supercritical CO2 Combustion: Cooperative Research and Development Final Report, CRADA Number CRD-20-17182

The Allam-Fetvedt Cycle, a novel supercritical CO2 (sCO2) power cycle developed by 8 Rivers Capital, LLC, generates low-cost power from fossil fuels while capturing combustion-CO2. This cycle employs high-temperature oxy-combustion using sCO2 as the working fluid, leading to a challenging environment for materials. The most critical component for reliable deployment of this technology is the combustor-turbine interface. In the proposed partnership between NREL and 8 Rivers, we will develop a simulation-based tool to provide key design inputs for defining the materials and geometries required in this critical area.

09 BIOMASS FUELS↗

Key Chemical Kinetic Steps in Reaction Mechanisms for Fuels from Biomass: A Perspective

Detailed chemical kinetic modeling has been a significant part of combustion research since the entry of the computer into the research community. For most of that time, fuels have largely been provided from petrochemicals, and the combustion chemistry that was developed reflected that source of fuels. Furthermore, renewable fuels from biomass have always made important contributions as fuel sources. Current trends show that renewable fuels are gaining an even more important role as fuel sources, and chemical kinetic modeling of those fuels is playing an essential role in these advances. Interactions between fuels research and chemical kinetic modeling are discussed in this paper, with emphasis on the close and continuous coupling between them. In many cases, new fuels from biomass have structural or compositional features never before seen in real fuels, so entirely new reaction mechanisms are required.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Reduction of Ultrafine Hematite for a Spouting Bed Chemical Looping Process - Presentation

Chemical looping combustion research has been a topic of great interest since the mid-1990s, although the concept can be traced much further back. It is a combustion technology for fuel utilization that uses a two-reactor system to produce a carbon free effluent stream from the air reactor and a carbon dioxide rich stream from the fuel reactor with oxygen shuttled between the reactors with an oxygen carrier. Chemical looping combustion has been studied extensively because of this inherent separation of the carbon dioxide combustion product from the atmospheric nitrogen over that past 25 years with hundreds of research papers and tens of books. The oxygen carrier is, in general, a solid such as naturally occurring hematite or an engineered carrier like a copper and iron oxide supported on alumina. System technical and economic research activities conducted at the National Energy Technology Laboratory have shown that the costs associated with the carrier, initial and replacement, are a significant factor in the economic viability of the technology. To overcome this economic challenge, the work reported on in this paper investigates the use of a waste iron oxide as the chemical looping oxygen carrier. This waste material is quite unique as it has a particle size of 0.7 um. Given the particle size, the reactions are quite fast. However, the development of a contactor reactor to mix the fuel with the carrier is a fluidization challenge as the material is a Geldart group C material and highly cohesive. Normally, Geldart group C materials are fluidized with either a vibrating bed. This technique is acceptable for low temperature pharmaceuticals production but does not lend itself to much larger reactors used for power production or operation at temperatures in the order of 1100 to 1200 C. Therefore, a hydrodynamic solution was needed to break up the cohesive structures to replace the vibration. In this instance, it was hypothesized that a spouting bed of large Geldart group B or Geldart group D particles could provide the necessary energy to break up the cohesive structures of the Geldart group C material. This paper presents the reduction performance for this novel carrier material in a laboratory spouting bed reactor.

Breault, Ronald↗

A User-Centered Design Study in Scientific Visualization Targeting Domain Experts

The development of usable visualization solutions is essential for ensuring both their adoption and effectiveness. User-centered design principles, which involve users throughout the entire development process, have been shown to be effective in numerous information visualization endeavors. We describe how we applied these principles in scientific visualization over a two year collaboration to develop a hybrid in situ/post hoc solution tailored towards combustion researcher needs. Lastly, we examine the importance of user-centered design and lessons learned over the design process in an effort to aid others seeking to develop effective scientific visualization solutions.

97 MATHEMATICS AND COMPUTING↗

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

Ammonia is a promising hydrogen carrier due to its favorable storage and transport characteristics. However, its direct use in combustion systems is limited by low flammability and potential for high nitrogen oxide emissions. To better understand ammonia combustion, researchers conducted experiments using a flat flame burner and measured species profiles using tunable-diode-laser-absorption-spectroscopy and chemiluminescence imaging. They tested three flame conditions with different ammonia-hydrogen blends and oxygen levels. The results were compared to simulations using various kinetic mechanisms, including one that accounts for excited species chemistry. The goal is to provide direct information about species profiles in a simple system, isolating chemical kinetics from fluid dynamic effects, which can inform the development of more efficient and low-emission combustion systems using ammonia.

ammonia combustion↗

Recent advances in combustion science related to hydrogen safety

Hydrogen is a key pillar in the global Net Zero strategy. Rapid scaling up of hydrogen production, transport, distribution and utilization is expected. This entails that hydrogen, which is traditionally an industrial gas, will come into proximity of populated urban areas and in some situations handled by the untrained public. To realize all their benefits, hydrogen and its technologies must be safely developed and deployed. The specific properties of hydrogen involving wide flammability range, low ignition energy and fast flame speed implies that any accidental release of hydrogen can be easily ignited. Comparing with conventional fuels, combustion systems fueled by hydrogen are also more prone to flame instability and abnormal combustion. This paper aims to provide a comprehensive review about combustion research related to hydrogen safety. It starts with a brief introduction which includes some overview about risk analysis, codes and standards. The core content covers ignition, fire, explosions and deflagration to detonation transition (DDT). Considering that DDT leads to detonation, and that detonation may also be induced directly under special circumstances, the subject of detonation is also included for completeness. The review covers laboratory, medium and large-scale experiments, as well as theoretical analysis and numerical simulation results. While highlights are provided at the end of each section, the paper closes with some concluding remarks highlighting the achievements and key knowledge gaps.

08 HYDROGEN↗

Thermal power plant upgrade via a rotating detonation combustor and retrofitted turbine with optimized endwalls

Over the past decade, pressure gain combustion research has promised over 10 percentage-points of increase in power plant thermal efficiency. Alas, to realize such potential gain, one must effectively couple the turbine with the detonation combustor, whose exhaust conditions differ substantially from current state of the art gas turbines. This paper presents a modeling approach that enables a superior thermodynamic cycle with a rotating detonation combustor and a retrofitted gas turbine by including a diffuser downstream of the combustor and by contouring the turbine endwall, while preserving the airfoil geometry. We propose a multi-step optimization strategy, parametrizing the endwall geometry with a few control points, without altering the airfoil geometry, and with the stage turbine efficiency as objective function. In a first step the turbine performance is assessed with steady inlet conditions by solving the steady three-dimensional Reynolds-Averaged Navier-Stokes equations. In a second step, the inlet conditions are unsteady, as predicted from a detonation combustor and a diffuser, and three-dimensional full unsteady simulations are performed with an unsteady Reynolds-Averaged Navier-Stokes solver. By altering the vane endwall, the steady optimization yielded an efficiency increase of 12% relative to the baseline, while the unsteady optimization resulted in 21% increase compared to the datum turbine. Finally, a full engine analysis demonstrated the superiority of pressure gain combustion which included a realistic thermodynamic cycle of the combustor, the diffuser and the optimized turbine components.

42 ENGINEERING↗

Lessons Learned and Scalability Achieved When Porting Uintah to DOE Exascale Systems

A key challenge faced when preparing codes for Department of Energy (DOE) exascale systems was designing scalable applications for systems featuring hardware and software not yet available at leadership-class scale. With such systems now available, it is important to evaluate scalability of the resulting software solutions on these target systems. One such code designed with the exascale DOE Aurora and DOE Frontier systems in mind is the Uintah Computational Framework, an open-source asynchronous many-task (AMT) runtime system. To prepare for exascale, Uintah adopted a portable MPI+X hybrid parallelism approach using the Kokkos performance portability library (i.e., MPI+Kokkos). This paper complements recent work with additional details and an evaluation of the resulting approach on Aurora and Frontier. Results are shown for a challenging benchmark demonstrating interoperability of 3 portable codes essential to Uintah-related combustion research. These results demonstrate single-source portability across Aurora and Frontier with scaling characteristics shown to 3,072 Aurora nodes and 9,216 Frontier nodes. In addition to showing results run to new scales on new systems, this paper also discusses lessons learned through efforts preparing Uintah for exascale systems.

Holmen, John [ORNL] (ORCID:0000000259342641)↗

A review of coal heating value correlations with application to coal char, tar, and other fuels

Accurately measuring a fuel’s heating value is one of the first steps in the classification of a new fuel. Heating values are widely used in coal combustion research and are becoming more useful in other fuel types as well. Many different empirical correlations to predict heating values based on primary organic (CHONS) elemental composition are found in the literature, many of which were originally created to predict heating values of parent coal, and some of which have been extended for biomass. However, no correlations exist for heating values of coal chars and tars. Thirteen literature heating value correlations (10 model forms with 13 unique sets of coefficients) were evaluated for their predictive accuracy of a wide variety of fuel types, including 353 coals. This comparative analysis showed that the predictive capabilities of many of these literature models are very similar for coal-based fuels, with good correlation of coal char heating values. Correlation of coal tar heating values was hampered by the lack of heating value data. The choice of which model to use becomes more important for biomass fuels as well as for more unique fuel types like propellants and explosives, municipal solid waste, etc. Finally, the best model forms for each fuel type are suggested based on several statistical measures of fit.

01 COAL, LIGNITE, AND PEAT↗

Spontaneous Raman–LIF–CO–OH measurements of species concentration in turbulent spray flames

This paper presents new measurements of species concentrations, temperature and mixture fraction in selected regions of a turbulent ethanol spray flame. The line-Raman–LIF–COsingle bondOH setup developed at the Sandia's Combustion Research Facility is utilised to probe regions of a spray flame where laser breakdown of liquid droplets is avoided and the remaining interferences can be corrected. The spray flame is stabilised on the piloted Sydney needle spray burner, where axial translation of the liquid injecting needle in the air-blast stream can transition the spray from dilute to dense. The solution to obtaining successful measurements is found to be multifaceted and includes: the appropriate selection of flame conditions; high sensitivity of the Raman detection system permitting reduced laser energies; development of a pre-processing algorithm to reject strong droplet interferences; and application of the hybrid matrix inversion method combined with wavelet denoising to account for interference corrections and noise at the very low signal levels obtained. Unique and necessary for the successful measurements reported in this paper, a pre-processing algorithm is outlined that removes data points corrupted with strong interferences from droplets. These interferences arise from a range of sources, but the most intense are due to the laser interaction with surrounding mist or liquid fragments, such that measurements near the jet centreline are corrupted and hence discarded. Reliable measurements of mixture fraction, temperature obtained from the sum of the species number densities, and species mole fractions are reported for regions in the flames sufficiently far from the centreline. The paper demonstrates the feasibility of the judicious use of Raman scattering in turbulent spray flames, the results of which will be extremely useful for validating numerical simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

In situ temperature measurements in sooting methane/air flames using synchrotron x-ray fluorescence of seeded krypton atoms

Synchrotron x-ray fluorescence has been used to measure temperatures in optically dense gases where traditional methods would fail. These data provide a benchmark for stringent tests of computational fluid dynamics models for complex systems where physical and chemical processes are intimately linked. The experiments measured krypton number densities in a sooting, atmospheric pressure, nonpremixed coflow flame that is widely used in combustion research. The experiments not only form targets for the models, but the simulations also identify potential sources of uncertainties in the measurements, allowing for future improvements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Photoinitiated Reactions of Molecules and Radicals in Molecular Beams

The UV photochemistry of organic molecules is a fundamental process that governs reactions in the atmosphere, synthetic chemistry, processing of organic aerosols, and biological damage in living tissues. In many organic molecules, the ensuing evolution involves pathways that are in competition, giving rise to different products, isomerization, coupling to other electronic states, and secondary reactive collisions. Because photodissociation is usually fast (picoseconds to microseconds), these processes are far from equilibrium and are controlled by kinetic competition and dynamical forces. The work accomplished was focused primarily on the photochemistry of alpha-keto carboxylic acids, a group of acids produced from natural sources, which are implicated in aerosol formation and biological processes. In the atmosphere, they are destroyed mainly by solar radiation. Studying their photochemistry has been surprisingly difficult because of the complexity of their excited electronic states, and the effect of collisions and secondary reactions. The second project investigated the lifetime of excited electronic states of pyrazine and picoline and had both experimental and theoretical aspects. The work focused on a model molecule, pyruvic acid (PA), because it was hypothesized that it should be a good source of the unstable carbene, methylhydroxycarbene (MHC). PA has an internal hydrogen bond that controls the evolution of its decomposition. The decomposition was studied following excitation to two of its lowest excited states reached by laser irradiation at 351 and 193 nm. The photodissociation dynamics in the absence and presence of collisions was monitored and compared. Understanding the UV photochemistry requires the use of complementary experimental approaches. Two methods were enlisted, which together generated a comprehensive and detailed set of results: (i) The time-sliced velocity map imaging (SVMI) instrument at USC was exploited to determine kinetic energy release of fragments, fast dissociation timescales, and internal state distributions of fragments for which Resonance Enhanced Multiphoton Ionization (REMPI) schemes exist; and (ii) The multiplexed photoionization mass spectrometer (MPIMS) setup developed at the Sandia Combustion Research Facility was used for product discovery, achieved by exploiting tunable narrowband VUV radiation at the Advanced Light Source (ALS), and to follow in real time their subsequent unimolecular and bimolecular reactions. The experimental conditions ranged from collisionless molecular beams to study nascent products to flow reactors of variable pressures to study subsequent bimolecular reactions of the products. The goals stated above were successfully accomplished. By exciting PA to its lowest excited state, MHC was identified as the only primary product and its isomerization to vinylalcohol and acetaldehyde was directly observed in real time. Moreover, we reported the first bimolecular reaction of MHC, which was with acetaldehyde, and identified its reaction product. This paves the way for the study of other reactions of this important carbene intermediate. When excitation was carried out at 193 nm, which imparted much higher energy to PA, many more products were directly observed in real time, some deriving from three-body dissociation. Quantitative branching ratios and secondary reactions of radical products were also determined and analyzed. The studies of pyrazine and picoline focused on the second excited state of these molecules and showed (via ionization studies) that their excited states were very short lived (<100 fs) because of efficient couplings to lower electronic states via vibronic coupling. Theoretical work on modeling the absorption spectrum and decay mechanisms of the excited states are in progress in collaboration with theoreticians.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗