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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Microgravity Science Glovebox (MSG) Space Science's Past, Present, and Future on the International Space Station (ISS)

The Microgravity Science Glovebox (MSG) is a double rack facility designed for microgravity investigation handling aboard the International Space Station (ISS). The unique design of the facility allows it to accommodate science and technology investigations in a "workbench" type environment. MSG facility provides an enclosed working area for investigation manipulation and observation in the ISS. Provides two levels of containment via physical barrier, negative pressure, and air filtration. The MSG team and facilities provide quick access to space for exploratory and National Lab type investigations to gain an understanding of the role of gravity in the physics associated research areas. The MSG is a very versatile and capable research facility on the ISS. The Microgravity Science Glovebox (MSG) on the International Space Station (ISS) has been used for a large body or research in material science, heat transfer, crystal growth, life sciences, smoke detection, combustion, plant growth, human health, and technology demonstration. MSG is an ideal platform for gravity-dependent phenomena related research. Moreover, the MSG provides engineers and scientists a platform for research in an environment similar to the one that spacecraft and crew members will actually experience during space travel and exploration. The MSG facility is ideally suited to provide quick, relatively inexpensive access to space for National Lab type investigations.

Spivey, Reggie A.↗
DOE OSTI2021

Diastereomers and Low-Temperature Oxidation

Diastereomers have historically been ignored when building kinetic mechanisms for combustion. Low-temperature oxidation kinetics, which continues to gain interest in both combustion and atmospheric communities, may be affected by the inclusion of diastereomers in radical chain-branching pathways. In this work, key intermediates and transition states lacking stereochemical specification in an existing diethyl ether low-temperature oxidation mechanism were replaced with their diastereomeric counterparts. Rate coefficients for reactions involving diastereomers were computed with ab initio transition state theory master equation calculations. The presence of diastereomers increased rate coefficients by factors of 1.2-1.6 across various temperatures and pressures. Ignition delay simulations incorporating these revised rate coefficients indicate that the diastereomers enhanced the overall reactivity of the mechanism by almost 15% and increased the peak ketohydroperoxide concentration by 30% in the negative temperature coefficient region at combustion-relevant pressures. Furthermore, these results provide an illustrative indication of the important role of stereomeric effects in oxidation kinetics.

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

Insight into premixed diethoxymethane flames: Laminar burning velocities, temperatures, and emissions behaviour

Diethoxymethane ((CH 3 CH 2 O) 2 CH 2 , DEM) is a promising carbon-neutral fuel. DEM is a diether or acetal with a molecular structure similar to oxymethylene ethers (CH 3 O–(CH 2 O)n–CH 3 , OME n ). Thus, DEM can be expected to have a similar combustion behavior to OMEs, reducing harmful emissions such as NO x and particulate matter (PM) in internal combustion engines. From both experimental and kinetic modeling, fundamental studies on DEM are scarce in the literature. More studies are required to gain a detailed insight into the oxidation kinetics of DEM. Laminar burning velocity (LBV) is a critical property that allows a detailed assessment of the potential application of DEM in combustion devices. Unfortunately, the literature on the LBV of DEM is limited. Therefore, in this study we have investigated the LBV of DEM using two reactors for the first time, namely a heat flux burner and a combustion chamber. The experimental data is reported for equivalence ratio between 0.7 and 1.7, initial temperatures of 368–423 K, and initial pressure of 1–5 bar. In addition, we developed a detailed kinetic model extending our recent work of Shrestha et al. (Combust. Flame. 246 (2022) 112,426) to characterize the combustion behavior of DEM utilizing the new experimental data from this work and the literature data. Our model performs remarkably well in capturing the newly measured LBV experimental data over various experimental conditions. We found that DEM and dimethoxy methane (DMM) have similar values of LBVs (within ±1.5 cm/s) for a given condition, which indicates that intermediate chemistry governs the flame chemistry. Despite DEM being a larger molecule that is expected to have slightly lower LBVs than DMM, its effect on the measured values of LBVs is negligible. Finally, we experimentally measured NO x formation in DEM flame for the first time. The stochiometric flame has the highest NO x formation. The proposed model predicted the equivalence ratio dependence of NO x nicely. However, it overestimates the NO x formation for stoichiometric DEM/air mixtures by ~30 %. The model suggests that the thermal NO formation route is favored at lean and stochiometric conditions. In contrast, the prompt NO formation route is enhanced for rich mixtures.

10 SYNTHETIC FUELS↗
NASA NTRS1997

Effects of Buoyancy on Laminar and Turbulent Premixed V-Flame

Turbulent combustion occurs naturally in almost all combustion systems and involves complex dynamic coupling of chemical and fluid mechanical processes. It is considered as one of the most challenging combustion research problems today. Though buoyancy has little effect on power generating systems operating under high pressures (e.g., IC engines and turbines), flames in atmospheric burners and the operation of small to medium furnaces and boilers are profoundly affected by buoyancy. Changes in burner orientation impacts on their blow-off, flash-back and extinction limits, and their range of operation, burning rate, heat transfer, and emissions. Theoretically, buoyancy is often neglected in turbulent combustion models. Yet the modeling results are routinely compared with experiments of open laboratory flames that are obviously affected by buoyancy. This inconsistency is an obstacle to reconciling experiments and theories. Consequently, a fundamental understanding of the coupling between turbulent flames and buoyancy is significant to both turbulent combustion science and applications. The overall effect of buoyancy relates to the dynamic interaction between the flame and its surrounding, i.e., the so-called elliptical problem. The overall flame shape, its flowfield, stability, and mean and local burning rates are dictated by both upstream and downstream boundary conditions. In steady propagating premixed flames, buoyancy affects the products region downstream of the flame zone. These effects are manifested upstream through the mean and fluctuating pressure fields to influence flame stretch and flame wrinkling. Intuitively, the effects buoyancy should diminish with increasing flow momentum. This is the justification for excluding buoyancy in turbulent combustion models that treats high Reynolds number flows. The objectives of our experimental research program is to elucidate flame-buoyancy coupling processes in laminar and turbulent premixed flames, and to characterize microgravity (micro g) premixed flames. The results are used to derive appropriate scaling parameters for guiding the development of theoretical models to include the effects of buoyancy. Knowledge gain from the analysis will also contribute to further understanding of the elliptical nature of premixed flames. Our current emphasis is to examine the momentum limit above which the effects of buoyancy would become insignificant. This is accomplished by comparing the flowfields and the mean properties of normal gravity flames (+g), and reversed gravity flames (-g, up-side-down flames) at different flow velocities and turbulence intensities. Microgravity (micro g) flames experiments provide the key reference data to reconcile the differences between flames in +g and -g. As flame configuration has significant impact on premixed flames characteristics we have studied axi-symmetric conical flames and plane-symmetric rod-stabilized v-flames. The two configurations produce distinct features that dictates how the flames couple with buoyancy. In a conical flame, the hot products plume completely envelopes the flame cone and shields the flame from direct interaction with the ambient air. The plume originates at the burner rim and generates a divergent flowfield. In comparison, the products region of v-flames forms between the twin flame sheets and it is convergent towards the center-plane. Interaction with ambient air is limited to the two end regions of the stabilized rod and beyond the flame sheets.

Cheng, Robert K.↗
DOE OSTI2024

Partially cracked ammonia mixture combustion in gas turbine combustors

Ammonia is gaining popularity for single fuel use in existing gas turbines, as it is carbonless, has higher hydrogen content per unit volume than liquid hydrogen, and facilitates easy storage and handling. However, the low flame speed of ammonia makes it prone to flame blow off and remains the chief concern for its use in power generation. Following previous studies that have shown improved combustion performance by partially cracking the fuel, in this computational study, efficacy of partially cracked ammonia as a replacement fuel for natural gas is evaluated. A high-pressure optically accessible combustor operated at ~10 bar pressure with non-vitiated heated air was used as the test platform. This combustor was equipped with a novel multifuel multi-tube micromixing injector (M3 injector). High resolution simulations of the flow fields both in the injector as well as the combustor were performed to understand the fuel mixing in the injector and in the inlet region of the combustor. These modeling results showed that the injector was highly effective for achieving mixture homogeneity at the entrance of the combustor for ammonia and natural gas injection, whereas, for hydrogen an earlier injection facilitating longer residence time would be beneficial. Also, these simulations show that while harnessing waste heat the ideal fuel dissociation fraction is between 0.4 and 0.55 for optimal operation.

Ammonia↗
NASA NTRS1995

Thermal barrier coatings application in diesel engines

Commercial use of thermal barrier coatings in diesel engines began in the mid 70's by Dr. Ingard Kvernes at the Central Institute for Industrial Research in Oslo, Norway. Dr. Kvernes attributed attack on diesel engine valves and piston crowns encountered in marine diesel engines in Norwegian ships as hot-corrosion attributed to a reduced quality of residual fuel. His solution was to coat these components to reduce metal temperature below the threshold of aggressive hot-corrosion and also provide protection. Roy Kamo introduced thermal barrier coatings in his 'Adiabatic Diesel Engine' in the late 70's. Kamo's concept was to eliminate the engine block water cooling system and reduce heat losses. Roy reported significant performance improvements in his thermally insulated engine at the SAE Congress in 1982. Kamo's work stimulates major programs with insulated engines, particularly in Europe. Most of the major diesel engine manufacturers conducted some level of test with insulated combustion chamber components. They initially ran into increased fuel consumption. The German engine consortium had Prof. Woschni of the Technical Institute in Munich. Woschni conducted testing with pistons with air gaps to provide the insulation effects. Woschni indicated the hot walls of the insulated engine created a major increase in heat transfer he refers to as 'convection vive.' Woschni's work was a major factor in the abrupt curtailment of insulated diesel engine work in continental Europe. Ricardo in the UK suggested that combustion should be reoptimized for the hot-wall effects of the insulated combustion chamber and showed under a narrow range of conditions fuel economy could be improved. The Department of Energy has supported thermal barrier coating development for diesel engine applications. In the Clean Diesel - 50 Percent Efficient (CD-50) engine for the year 2000, thermal barrier coatings will be used on piston crowns and possibly other components. The primary purpose of the thermal barrier coatings will be to reduce thermal fatigue as the engine peak cylinder pressure will nearly be doubled. As the coatings result in higher available energy in the exhaust gas, efficiency gains are achieved through use of this energy by turbochargers, turbocompounding or thermoelectric generators.

Fairbanks, J. W.↗
NASA NTRS1999

Planar Strain-Rate-Free Diffusion Flames: Initiation, Properties, and Extinction

An effectively strain-rate-free diffusion flame constitutes the most vigorous laminar combustion of initially unmixed reactive gases. Such a diffusion flame is characterized by a relatively long residence time and by a relatively large characteristic length scale. If such a flame were also planar, providing high symmetry, it would be particularly suitable for experimental and theoretical investigations of key combustion phenomena, such as multicomponent diffusion, chemical kinetics, and soot inception, growth, and oxidation. Unfortunately, a planar strain-rate-free diffusion flame is highly disrupted in earth-gravity (e.g., in a counterflow-diffusion-flame apparatus) because of the very rapid onset (approx. 100 ms) of gravity-induced instability. Accordingly, a specially dedicated apparatus was designed, fabricated, and initially checked out for the examination of a planar strain-rate-free diffusion flame in microgravity. Such a diffusion flame may be formed within a hollowed-out squat container (initially configured as 25 cm x 25 cm x 9 cm), with isothermal, noncatalytic, impervious walls. At test initiation, a thin metallic sheet (approx. 1 mm in thickness) that separates the internal volume into two equal portions, each of dimensions 25 cm x 25 cm x 4.5 cm, is withdrawn, by uniform translation (approx. 50 cm/s) in its own plane, through a tightly fitting slit in one side wall. Thereupon, diluted fuel vapor (initially confined to one half-volume of the container) gains access to diluted oxygen (initially with the same pressure, density, and temperature as the fuel, but initially confined to the other half-volume). After a brief delay (approx. 10 ms), to permit limited but sufficient-for-flammability diffusional interpenetration of fuel vapor and oxidizer, burning is initiated by discharge of a line igniter, located along that side wall from which the trailing edge of the separator withdraws. The ignition spawns a triple-flame propagation across the 25 cm x 25 cm centerplane. When a diffusion flame is emplaced in the centerplane, any subsequent travel, and change in temperature, of that planar diffusion flame may be tracked, along with the effectively spatially uniform but temporally evolving pressure within the container. Eventually, nearly complete depletion of the stoichiometrically deficient reactant, along with heat loss to the container surfaces, effects extinction. These data afford an opportunity to check theoretical models of diffusion and chemical kinetics under conditions ranging from intense burning to flame out, or, alternatively, to evolve simple empirical representations of these phenomena. Thus, the project sought to utilize microgravity testing to elucidate commonly encountered phenomenology, arising in the commonly-encountered mode of combustion (whether related to heating, manufacturing, boiling, and propulsion, or to uncontrolled, free-burning fire in structures and wildland vegetation), of those commonly utilized fuels usually categorized as gaseous fuels (such as hydrogen, natural gas, and propane, which are gaseous under atmospheric conditions).

Fendell, Francis↗
DOE OSTI2022

An Experimental Investigation of Supercritical Methane Injection Characteristics in a CO2 Environment

Abstract Clean energy generation is gaining significant attention from industries, academia, and governments across the globe. The Allam cycle is one such technology that has been under focus due to its efficiency, environmental friendliness, and economics. This is a direct-fired cycle operating at supercritical conditions using carbon dioxide as a working fluid. Fuel or oxidizer jet mixing with CO2 is a vital phenomenon that governs combustion efficiency, and it is not well understood for the Allam cycle conditions. This paper experimentally investigated the jet characteristics of a methane jet injected into a subcritical to supercritical carbon dioxide environment. A wide range of injection pressures and temperatures were targeted between subcritical to supercritical conditions. Unlike previous studies, the current work focused on injecting lower-density (methane) jets into higher-density (carbon dioxide) environments. Schlieren imaging and methane absorption measurements were simultaneously performed with a CMOS high-speed camera and a 3.39 μm infrared laser. Specifically, we looked at the classical injection parameter of jet spreading angle, which was classically established to be mainly a density ratio function. Here, the jet cone angle was obtained from the postprocessed schlieren imaging. The jet cone angle is a critical characteristic parameter that describes the entrainment rate in a jet; thus, it is a crucial parameter in understanding the nature of the jet. The laser measurements were only used as an additional check to confirm the entry time of methane into the chamber filled with carbon dioxide. Notably, this paper makes a detailed comparison between the jet cone angles of jets with a density ratio. The result showed that the classical correlations, such as Abramovich's theory applied to submerged turbulent gas jets developed for low-density ratio jets, were unsuitable for higher-density ratio jets. It was also observed that the divergence angles were dependent not only on density ratio but also on other parameters such as pressure ratios and reduced pressures.

Engineering↗
DOE OSTI2024

Effect of Impurities on the Compatibility of Steels in Supercritical CO 2 at 450°–650°C

Direct-fired supercritical CO 2 (sCO 2 ) power cycles are a pathway to low-CO 2 fossil energy but contain O 2 and H 2 O in the sCO 2 from combustion. The effect of impurities on structural steels was investigated at 450°-650 °C in 30 MPa sCO 2 . The test matrix included 9 and 12%Cr ferritic-martensitic (FM) steels and conventional and advanced austenitic steels exposed for 1000-2000 h with and without additions of 1%O 2 and 0.1%H 2 O to simulate the cycle after water removal. For FM steels, the mass gains and scale thicknesses were similar with and without impurities with the formation of thick, duplex Fe-rich scales in all cases including the observation that Fe 2 O 3 only formed with 1%O 2 . For the austenitic steels, higher mass gains were observed at all temperatures with increased formation of Fe-rich oxides when impurities were added. Carbon ingress was assessed by bulk combustion analysis, glow discharge optical emission spectroscopy (GDOES) and measuring postexposure room temperature tensile properties. In conclusion, bulk C content was strongly increased at 650 °C but not at 450° or 550 °C.

36 MATERIALS SCIENCE↗
NASA NTRS1964

Photographic Study of Liquid-Oxygen Boiling and Gas Injection in the Injector of a Chugging Rocket Engine

High-speed motion pictures were taken of conditions in the injector liquid-oxygen cavity of an RL-10 rocket engine during throttled engine operation. Photographs were taken during operation of the engine in the chugging region as the helium gas was injected to stabilize combustion, during operation at rated thrust, and during transition into chugging conditions as the gas injection was discontinued. Results of the investigation indicate that, during chugging rocket operation of the RL-10 engine, a high population of fairly large bubbles formed and collapsed within the liquid-oxygen cavity at the same frequency as the chamber pressure oscillations. When gaseous helium was injected into the liquid-oxygen cavity, a fog rapidly spread over the entire field of view, and the system immediately became stable. The injection of gaseous helium at rated conditions produced a very slight increase in engine performance but not enough to produce a net gain in a typical mission payload with the extra equipment needed. The inherent low-frequency system instability associated with the fuel system at low thrust levels was reduced by injecting either gaseous helium or hydrogen. Complete stabilization was achieved in some cases, and a reduction in the severity of the oscillations in others. This was apparently due to the ·anchoring of the phase change front to the location of the gas injection.

Conrad, E. William↗
NASA NTRS2014

Combustion Stability Assessments of the Black Brant Solid Rocket Motor

The Black Brant variation of the Standard Brant developed in the 1960's has been a workhorse motor of the NASA Sounding Rocket Project Office (SRPO) since the 1970's. In March 2012, the Black Brant Mk1 used on mission 36.277 experienced combustion instability during a flight at White Sands Missile Range, the third event in the last four years, the first occurring in November, 2009, the second in April 2010. After the 2010 event the program has been increasing the motor's throat diameter post-delivery with the goal of lowering the chamber pressure and increasing the margin against combustion instability. During the most recent combustion instability event, the vibrations exceeded the qualification levels for the Flight Termination System. The present study utilizes data generated from T-burner testing of multiple Black Brant propellants at the Naval Air Warfare Center at China Lake, to improve the combustion stability predictions for the Black Brant Mk1 and to generate new predictions for the Mk2. Three unique one dimensional (1-D) stability models were generated, representing distinct Black Brant flights, two of which experienced instabilities. The individual models allowed for comparison of stability characteristics between various nozzle configurations. A long standing "rule of thumb" states that increased stability margin is gained by increasing the throat diameter. In contradiction to this experience based rule, the analysis shows that little or no margin is gained from a larger throat diameter. The present analysis demonstrates competing effects resulting from an increased throat diameter accompanying a large response function. As is expected, more acoustic energy was expelled through the nozzle, but conversely more acoustic energy was generated due to larger gas velocities near the propellant surfaces.

Fischbach, Sean↗
DOE OSTI2024

Novel Full-Ceramic Multi-Tubular Membrane Systems for Pre-Combustion CO2 Capture with Simultaneous H2 Production: Fabrication, Performance Testing, and 3D CFD Modeling

Inorganic membranes show promise for application in pre-combustion CO2 capture with simultaneous H2 production. State-of-the-art systems for use under high temperature and pressure conditions consist of multiple membrane tube bundles prepared in a "candle-filter" configuration, in which the membrane tubes are open at one end and sealed at the other. This configuration is used for practical reasons, specifically the need to minimize potential problems due to thermal expansion mismatch, at high temperatures, between the ceramic tube bundle and the steel housing. The primary technical problem with the candle-filter configuration for use in commercial-scale installations is the inability to purge the permeate side (typically the tube side), a feature that is crucial for high H2 recovery. In this study, we fabricated dual-end open, commercial-size ceramic multiple-tube bundles made of zeolite, palladium (Pd), and carbon molecular sieve (CMS) membranes that enable permeate-side (tube-side) purge for gas separation applications. Experimental gas separation data with these membrane bundles under harsh operating conditions (temperatures up to 350 and pressures up to 800 psig), to be presented at the meeting, manifest excellent performance. Parallel to the membrane bundle construction and testing efforts, we have also developed a detailed 3D CFD modeling package using COMSOL Multiphysics software to gain more insight into the effect on the H2 purity and recovery of the detailed geometry of the multi-tubular membrane system, including the number of tubes used, their dimensions, and placement in the bundle, as well as the number, type, and positioning of internal baffles and other flow-enhancement accessories. The CFD package is validated with experimental data from different systems (1-tube, 3-tube, and 19-tube bundles), and shows high accuracy in predicting the experimental results (<5 % error in all cases). The results of our study show that the detailed internal geometry of these multi-tubular membrane systems has a considerable impact on the performance of the system as the flow maldistribution within the shell-side can substantially decrease (>40%) the H2 recovery.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2025

Enabling Low-Temperature (LTP) Ignition Technologies for Multi-Mode Engines through the Development of a Validated High-Fidelity LTP Model for Predicative Simulations Tools

The goal of multi-mode engine architectures is to extend current lean-burn dilution limits with renewable fuels, which requires spark plugs to deposit high energies (hundreds of mJ) in order to initiate ignition and complete combustion. At elevated energy deposition rates, spark plugs experience increased electrode erosion and thermal losses, which ultimately shortens the spark-plug lifetime and lowers ignition efficiency. As such, in order to safeguard the efficiency gains of multi-mode concepts, new and improved ignition technologies are required. Recently, non-equilibrium low-temperature plasmas (LTP) have been shown to promote energy-efficient ignition via quenching and transport of electronically excited atoms and molecules, selective radical production and fast heating of hydrocarbon/air mixtures [1-2]. Thus, LTP is seen as a technology that can potentially improve the energy extraction efficiency of fuels, while enabling kinetically controlled combustion modes towards fuel leaner conditions to realize current DOE VTO goals of improving the sustainability of future mobility [3]. Although many previous studies have demonstrated the efficacy of plasma-assisted ignition to enhance combustion, the detailed enhancement mechanisms remain largely unknown, especially for oxygenated fuels and at elevated pressures that are most relevant to practical engine conditions. These barriers hinder the development of accurate and comprehensive numerical models that seek to describe LTP-based ignition in existing engine design software tools and methods. Current state-of-the-art simulation capabilities for LTP ignition systems are in need of improvements since they deliver qualitative results only due to important limitations of existing approaches. Firstly, validated kinetic models with elementary steps for plasma discharges in oxygenated fuel/air mixtures of relevance to the transportation sector are required. Such kinetic models do not exist at present and will be developed and validated within this project. Secondly, plasma discharges and reactive mixture ignition are multi-scale, unsteady processes requiring high-performance numerical methods and software that execute efficiently on DOE supercomputers. Such software does not exist at present and will be developed and applied to practical LTP ignition scenarios as part of this project. Thirdly, experimental databases that are tailored to serve as benchmark in support of the development of predictive computational models of LTP ignition do not exist and will be part of this project.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS2012

OH Planar Laser Induced Fluorescence (PLIF) Measurements for the Study of High Pressure Flames: An Evaluation of a New Laser and a New Camera System

Planar laser induced fluorescence (PLIF) is used by the Combustion Branch at the NASA Glenn Research Center (NASA Glenn) to assess the characteristics of the flowfield produced by aircraft fuel injectors. To improve and expand the capabilities of the PLIF system new equipment was installed. The new capabilities of the modified PLIF system are assessed by collecting OH PLIF in a methane/air flame produced by a flat flame burner. Specifically, the modifications characterized are the addition of an injection seeder to a Nd:YAG laser pumping an optical parametric oscillator (OPO) and the use of a new camera with an interline CCD. OH fluorescence results using the injection seeded OPO laser are compared to results using a Nd:YAG pumped dye laser with ultraviolet extender (UVX). Best settings of the new camera for maximum detection of PLIF signal are reported for the controller gain and microchannel plate (MCP) bracket pulsing. Results are also reported from tests of the Dual Image Feature (DIF) mode of the new camera which allows image pairs to be acquired in rapid succession. This allows acquisition of a PLIF image and a background signal almost simultaneously. Saturation effects in the new camera were also investigated and are reported.

Tedder, Sarah↗
DOE OSTI2023

Accurate prediction of carbon dioxide capture by deep eutectic solvents using quantum chemistry and a neural network

Carbon dioxide (CO 2 ) emissions from fossil fuel combustion are a significant source of greenhouse gas, contributing in a major way to global warming and climate change. Carbon dioxide capture and sequestration is gaining much attention as a potential method for controlling these greenhouse gas emissions. Among the environmentally friendly solvents, deep eutectic solvents (DESs) have demonstrated the potential capability for carbon capture. To establish a theoretical framework for DES activity, thermodynamics modeling and solubility predictions are significant factors to anticipate and understand the system behavior. Here, in this study, we combine the COSMO-RS model with machine learning techniques to predict the solubility of CO 2 in various deep eutectic solvents. A comprehensive data set was established comprising 1973 CO 2 solubility data points in 132 different DESs at a variety of temperatures, pressures, and DES molar ratios. This data set was then utilized for the further verification and development of the COSMO-RS model. The CO 2 solubility (ln(x CO 2 )) in DESs calculated with the COSMO-RS model differs significantly from the experiment with an average absolute relative deviation (AARD) of 23.4%. A multilinear regression model was developed using the COSMO-RS predicted solubility and a temperature-pressure dependent parameter, which improved the AARD to 12%. Finally, a machine learning model using COSMO-RS-derived features was developed based on an artificial neural network algorithm. The results are in excellent agreement with the experimental CO 2 solubilities, with an AARD of only 2.72%. The ML model will be a potentially useful tool for the design and selection of DESs for CO 2 capture and utilization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Numerical Analysis of Combustion Dynamics in a Full-Scale Rotating Detonation Rocket Engine using Large Eddy Simulations

Large eddy simulations (LES) using detailed chemistry and leveraging adaptive mesh refinement (AMR) are performed to gain insights into the combustion dynamics within a full-scale methane-oxygen non-premixed rotating detonation rocket engine (RDRE) employing impinging discrete injection schemes. In particular, a comparative analysis of two operating conditions corresponding to the same global equivalence ratio but different mass flow rates is carried out to investigate the resultant impact on detonation wave characteristics and RDRE global performance. Multiple co-rotating detonation waves with spatially-distributed wave structure and preferential alignment with the inner wall of the annulus (due to asymmetry in fuel distribution) are encountered under both conditions. Both cases exhibit pre-detonation deflagrative burning in the fill region, while one of the cases shows higher susceptibility to backflow into the feed plenums due to lower plenum pressures. Furthermore, heat release analysis shows that the thrust obtained from the RDRE is closely linked to the distribution of total heat release between detonative and deflagrative combustion. On the other hand, combustion efficiency is associated with the fraction of heat release occurring in fuel-rich versus fuel-lean regions within the RDRE.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Aerosol emissions from water-lean solvents for post-combustion CO 2 capture

Advanced water-lean solvents (WLS) for post-combustion CO 2 capture have been gaining interest due to their ability to reduce the parasitic penalty from energy needed for solvent regeneration. Commercial implementation of these novel CO 2 capture technologies hinges on successful control of amine emissions. RTI conducted a parametric study of fundamental and operational variables influence on overall amine aerosol and vapor emissions from our water-lean solvent eCO 2 Sol™ using our 6-kW equivalent bench-scale gas absorption system. The parametric testing used a simulated flue gas with 15 % CO 2 , 2.3–4.2 % H 2 O, and 0–6 ppm sulfite (SO 3 ) to examine the impact of the presence of aerosols to the capture performance and amine emissions from the system. The SO 3 reacts with water in the flue gas to create H 2 SO 4 , which forms liquid aerosol droplets and provide nucleation sites for growth of aerosols. Scanning Mobility Particle Sizer and Aerodynamic Particle Sizer instruments monitored the aerosol particle size distribution. Parametric testing results suggested that the presence of the aerosols in the flue gas could increase the overall amine emissions by 10X compared to the baseline emissions from WLS’s vapor pressure. Principal component analysis (PCA) and projection to latent squares (PLS) developed models to predict the aerosol-based amine emissions from process data. The predictive PLS model had a correlation coefficient (Q 2 ) of 0.92 and could predict the aerosol-based emissions from the NAS process with ±15 % accuracy (average absolute deviation, AAD). The PLS regression model also identified key variables affecting aerosol-based emissions from WLS.

42 ENGINEERING↗
NASA NTRS1992

High spatial resolution measurements in a single stage ram accelerator

High spatial resolution experimental tube wall pressure measurements of ram accelerator gas dynamic phenomena are presented in this paper. The ram accelerator is a ramjet-in-tube device which operates in a manner similar to that of a conventional ramjet. The projectile resembles the centerbody of a ramjet and travels supersonically through a tube filled with a combustible gaseous mixture, with the tube acting as the outer cowling. Pressure data are recorded as the projectile passes by sensors mounted in the tube wall at various locations along the tube. Utilization of special highly instrumented sections of tube has allowed the recording of gas dynamic phenomena with high resolution. High spatial resolution tube wall pressure data from the three regimes of propulsion studied to date (subdetonative, transdetonative, and superdetonative) in a single stage gas mixture are presented and reveal the three-dimensional character of the flow field induced by projectile fins and the canting of the fins and the canting of the projectile body relative to the tube wall. Also presented for comparison to the experimental data are calculations made with an inviscid, three-dimensional CFD code. The knowledge gained from these experiments and simulations is useful in understanding the underlying nature of ram accelerator propulsive regimes, as well as assisting in the validation of three-dimensional CFD coded which model unsteady, chemically reactive flows.

Hinkey, J. B.↗