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At least 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Development of a Platform for High-Resolution Ion Mobility Separations Coupled with Messenger Tagging Infrared Spectroscopy for High-Precision Structural Characterizations

The ability to uniquely identify a compound requires highly precise and orthogonal measurements. Here we describe a newly developed analytical platform that integrates high resolution ion mobility and cryogenic vibrational ion spectroscopy for high-precision structural characterizations. This platform allows for the temporal separation of isomeric/isobaric ions and provides a highly sensitive description of the ion’s adopted geometry in the gas phase. The combination of these orthogonal structural measurements yields precise descriptors that can be used to resolve between and confidently identify highly similar ions. The unique benefits of our instrument, which integrates a structures for lossless ion manipulations ion mobility (SLIM IM) device with messenger tagging infrared spectroscopy, include the ability to perform high-resolution ion mobility separations and to record the IR spectra of all ions simultaneously. The SLIM IM device, with its 13 m separation path length, allows for multipass experiments to be performed for increased resolution as needed. It is integrated with an Agilent qTOF MS where the collision cell was replaced with a cryogenically held (30 K) TW-SLIM module. The cryo-SLIM is operated in a novel manner that allows ions to be streamed through the device and collisionally cooled to a temperature where they can form noncovalently bound N 2 complexes that are maintained as they exit the device and are detected by the TOF mass analyzer. The instrument can be operated in two modes: IMS+IR where the IR spectra for mobility-selected ions can be recorded and IR-only mode where the IR spectra for all mass-resolved ions can be recorded. In IR-only mode, IR spectra (400 cm –1 spectral range) can be recorded in as short as 2 s for high throughput measurements. Further, this work details the construction of the instrument and modes of operation. It provides initial benchmarking of CCS and IR measurements to demonstrate the utility of this instrument for targeted and untargeted approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Shock-Wave/Boundary-Layer Interactions in Hypersonic Low Density Flows

Results of numerical simulations of Mach 10 air flow over a hollow cylinder-flare and a double-cone are presented where viscous effects are significant. The flow phenomena include shock-shock and shock- boundary-layer interactions with accompanying flow separation, recirculation, and reattachment. The purpose of this study is to promote an understanding of the fundamental gas dynamics resulting from such complex interactions and to clarify the requirements for meaningful simulations of such flows when using the direct simulation Monte Carlo (DSMC) method. Particular emphasis is placed on the sensitivity of computed results to grid resolution. Comparisons of the DSMC results for the hollow cylinder-flare (30 deg.) configuration are made with the results of experimental measurements conducted in the ONERA RSCh wind tunnel for heating, pressure, and the extent of separation. Agreement between computations and measurements for various quantities is good except that for pressure. For the same flow conditions, the double- cone geometry (25 deg.- 65 deg.) produces much stronger interactions, and these interactions are investigated numerically using both DSMC and Navier-Stokes codes. For the double-cone computations, a two orders of magnitude variation in free-stream density (with Reynolds numbers from 247 to 24,7 19) is investigated using both computational methods. For this range of flow conditions, the computational results are in qualitative agreement for the extent of separation with the DSMC method always predicting a smaller separation region. Results from the Navier-Stokes calculations suggest that the flow for the highest density double-cone case may be unsteady; however, the DSMC solution does not show evidence of unsteadiness.

Moss, James N.↗
DOE OSTI2025

Microporous pentiptycene-based polybenzimidazole membranes for high temperature H 2 /CO 2 separation

Separating H 2 from syngas at elevated temperatures (100–250 °C) have attracted significant attention in recent years as a means to reduce energy consumption and capital costs in precombustion carbon capture processes, such as those following steam reforming of natural gas or coal gasification. Polybenzimidazole (PBI), particularly m-PBI, has been reported as a leading membrane material for high-temperature H 2 /CO 2 separation. However, m-PBI exhibits extremely low H 2 permeability, even at high temperatures, which limits its productivity in H 2 /CO 2 separation applications. Here, to address this limitation, this work introduces a new pentiptycene-based polybenzimidazole (PPBI) featuring significantly enhanced H 2 permeability and attractive high-temperature H 2 /CO 2 separation performance, which stems from the unique configurational free volume elements introduced by pentiptycene moieties. Further tuning of the free volume architecture of PPBI films is achieved via acid doping with phosphoric acid (PA) or trans-aconitic acid (TaA), which introduces crosslinking among PPBI chains. Under mixed-gas environment (50/50 mol% H 2 /CO 2 ) at 180 °C, the acid-doped PPBI films exhibit a ∼230 % increase in H 2 /CO 2 selectivity compared to pristine PPBI film while maintaining high H 2 permeability that is nearly 500 % of m-PBI. These properties approach the predicted upper bound for membrane operating at 180 °C, highlighting its great potential for high-temperature H 2 /CO 2 separation.

Liu, Mengdi [University of Notre Dame, IN (United ↗
DOE OSTI2025

Vacuum-assisted carbon molecular sieve membrane reactor for non-oxidative ethane dehydrogenation

Non-oxidative ethane dehydrogenation (EDH) is equilibrium-limited and endothermic. Selective hydrogen removal using a gas-permeable membrane within the EDH reaction zone can overcome the thermodynamic equilibrium, enabling higher ethane conversions. Employing vacuum as the permeation driving force, rather than a sweep gas, enhances the industrial viability of membrane reactors by eliminating additional post-reaction separation units. This study presents a membrane reactor that integrates H 2 -permeable carbon molecular sieve (CMS) hollow fiber membranes embedded in a fixed bed of cobalt in a dealuminated beta zeolite (Co@DeAl-BEA) catalyst, utilizing a vacuum to remove hydrogen efficiently. The CMS membrane exhibits high hydrogen permeance and an excellent H 2 /C 2 H 6 separation factor. The membrane reactor significantly enhanced the ethane conversion under reaction conditions comparable to those reported in the literature. A Langmuir-Hinshelwood kinetic rate expression was developed and incorporated into a one-dimensional steady-state reactor model. The experimentally validated model indicates that increasing the number of hollow fibers improves ethane conversion, although ethane loss to the permeate limits the benefit. The contact area between the catalyst and the membrane limits the reactor performance more than the catalytic throughput. Furthermore, we find that the location of the catalyst packing relative to the hollow fiber membranes influences ethane loss and conversion. Higher reactor pressures and inlet ethane flow rates improve space-time yield at the expense of lower ethane conversion. Increasing reactor temperature or packing length promotes both performance metrics. The EDH membrane reactor demonstrated durability over 200 h of continuous operation, maintaining record-low deactivation rates and high ethylene selectivity. Protocols for catalyst regeneration were developed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

An experimental and modeling study of the application of membrane contactor reactors to methanol synthesis using pure CO 2 feeds

We describe here a post-combustion CO 2 capture and utilization (CCU) technology that converts the CO 2 into methanol (MeOH), a valuable chemical, thus providing a way to monetize the carbon captured to offset process costs. Methanol synthesis (MeS) has been discussed recently for application to CCU, but thermodynamic limitations make it difficult to convert in a single pass a large CO 2 fraction. Conventional catalysts show slow kinetics in converting CO 2 -rich syngas (or pure CO 2 ) into MeOH. Our Group developed a novel MeS process, employing a membrane contactor reactor (MCR) system that attains carbon conversions significantly higher than equilibrium. Our focus here is to process pure CO 2 streams by combining the MCR with a separate reactor, which converts the CO 2 into a syngas via the reverse water gas shift (RWGS) reaction. In this preliminary effort, the RWGS reactor (RWGSR) is assumed to reach equilibrium. Additional MeS kinetic rate data are generated validating experimentally the ability of the MeS-MCR to process as a feed the RWGSR exit stream. The performance of the combined (RWGSR/MeS-MCR) system is then simulated using a recently developed MeS-MCR model. In conclusion, the findings are encouraging, and research is currently ongoing to experimentally validate the RWGSR/MeS-MCR system performance.

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

A Pair of 2D Quantum Liquids: Investigating the Phase Behavior of Indirect Excitons

Long-lived indirect excitons (IXs) exhibit a rich phase diagram, including a Bose–Einstein condensate (BEC), a Wigner crystal, and other exotic phases. Recent experiments have hinted at a “classical” liquid of IXs above the BEC transition. To uncover the nature of this phase, we use a broad range of theoretical tools and find no evidence of a driving force toward classical condensation. Instead, we attribute the condensed phase to a quantum electron–hole liquid (EHL), first proposed by Keldysh for direct excitons. Taking into account the association of free carriers into bound excitons, we study the phase equilibrium between a gas of excitons, a gas of free carriers, and an EHL for a wide range of electron–hole separations, temperatures, densities, and mass ratios. Our results agree reasonably well with recent measurements of GaAs/AlGaAs coupled quantum wells.

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

Multi-Scale Seismic Measurements for Site Characterization and CO2 Monitoring in an Enhanced Oil Recovery/Carbon Capture, Utilization, and Sequestration Project, Farnsworth Field, Texas

To address the challenges of climate change, significantly more geologic carbon sequestration projects are beginning. The characterization of the subsurface and the migration of the plume of supercritical carbon dioxide are two elements of carbon sequestration that can be addressed through the use of the available seismic methods in the oil and gas industry. In an enhanced oil recovery site in Farnsworth, TX, we employed three separate seismic techniques. The three-dimensional (3D) surface seismic survey required significant planning, design, and processing, but produces both a better understanding of the subsurface structure and a three-dimensional velocity model, which is essential for the second technique, a timelapse vertical seismic profile, and the third technique, cross-well seismic tomography. The timelapse 3D Vertical Seismic Profile (3D VSP) revealed both significant changes in the reservoir between the second and third surveys and geo-bodies that may represent the extent of the underground carbon dioxide. The asymmetry of the primary geo-body may indicate the preferential migration of the carbon dioxide. The third technique, cross-well seismic tomography, suggested a strong correlation between the well logs and the tomographic velocities, but did not observe changes in the injection interval.

Energy & Fuels↗
DOE OSTI2026

Laboratory and field assessment of mid-infrared absorption (MIRA) instrument performance for methane and ethane dry mole fractions

Concurrent measurements of methane (CH 4 ) and ethane (C 2 H 6 ) can be used to identify and separate methane sources, as ethane is present in thermogenic sources (e.g., oil and natural gas) but not in biogenic sources (e.g., agriculture). In this study, we evaluated the performance of multiple Aeris MIRA Ultra instruments (Versions 1 and 2) through controlled laboratory tests and tower-based deployments under field conditions. The systems were modified with an external pump, flow control, a Nafion dryer, and a custom-built auxiliary box to automate the system and transmit near real-time data. We determined the best calibration approach for our application, given practical limitations, to be a full calibration cycle (with ambient and high calibration cylinders) about once per day and an ambient calibration cylinder sampled hourly. Measurement uncertainty was assessed, including the uncertainty due to instrument noise as a function of calibration frequency, uncertainty in the water vapor correction, and cylinder assignment uncertainty. Instrument noise was the dominant source of uncertainty for C 2 H 6 , while the water vapor correction dominated the CH 4 uncertainty. For Version 2 systems with hourly calibrations and a Nafion dryer with counterflow, the mean total uncertainty, including both systematic errors and noise, of hourly averages was 0.8–3.0 ppb CH 4 and 0.35–0.37 ppb C 2 H 6 . Laboratory intercomparisons showed network compatibility within 1.2 ppb CH 4 and 0.23 ppb C 2 H6, and a collocated deployment with a NOAA Picarro system agreed within 1.8 ppb CH 4 . Instrument noise varied substantially amongst the instruments, with errors reaching up to 11 ppb CH 4 and 2 ppb C 2 H 6 for hourly means, with similar variability indicated in a 50 h cylinder test. With appropriate engineering and calibration, the Aeris MIRA Ultra has the potential to distinguish regional methane emission sources in many field settings.

03 NATURAL GAS↗
NASA NTRS1971

Calibration of propulsion simulation nozzles for space shuttle booster and orbiter models for the abort/separation staging experimental program

An experimental program to determine the power-on aerodynamic flight characteristics of the booster and orbiter vehicles during the abort separation maneuver is reported. An essential contribution to such a test program is the gas dynamic simulation of the size and shape of the plumes emitting from the full-scale orbiter and booster main propulsion systems. The two major effects of the plume which must be simulated are: the interaction of the plume with the external flow field, and the direct impingement of the plumes on surfaces which are enveloped by the plume. To accomplish the objective of correct plume simulation, the similarity parameters developed by Herron and the requirement to match momentum flux per unit area between the model and the full-scale systems, were applied to the orbiter and booster propulsion systems.

Baker, L. R., Jr.↗
NASA NTRS1977

An active nutation damper for spacecraft

An active nutation damping device, consisting of an angular accelerometer, a dc-motor-driven flywheel, and associated electronics, developed for spacecraft use is described. This damping system was used on the LAGEOS spacecraft to control nutation buildup during the long coast period (approximately 75 minutes) after the third stage separation. The damper package was evaluated and proven on a three-axis gas-bearing simulator that duplicated the LAGEOS spacecraft critical flight dynamics. In addition, a failure analysis of the damper assembly was performed. Performance of the damper during the LAGEOS flight has confirmed the preflight evaluation and analysis.

Abercrombie, R. A.↗
NASA NTRS1979

Analysis of ultraviolet spectrophotometric data from Copernicus

Ultraviolet spectral data from the OAO 3 satellite are being used to study interstellar absorption lines and stellar and circumstellar lines in hot stars. The interstellar data are beneficial in analyzing the depletions of heavy elements from the gas phase and in elucidating how these depletions depend on physical conditions. Abundances in separate velocity components were determined from line profiles. Observations were carried out for interstellar abundances, both atomic and molecular, towards a number of stars. The better quality data are being analyzed for profile information and the lesser data are being used in curve-of-growth analyses. Molecular observations were carried out as well, N2 was sought; interstellar C2 was detected and its rotational excitation utilized to establish limits in interstellar cloud temperatures. An extensive search for H2O resulted in a tentative identification which will produce new information on chemical reaction rates. Interstellar depletions and grain properties in the rho Ophiuchi cloud, stellar wind variability, and circumstellar lines are also under study.

Snow, T. P., Jr.↗
NASA NTRS1985

Ultraviolet DIAL measurements of O3 profiles in regions of spatially inhomogeneous aerosols

The differential absorption lidar (DIAL) technique generally assumes that atmospheric optical scattering is the same at the two laser wavelengths used in the DIAL measurement of a gas concentration profile. Erros can arise in this approach when the wavelengths are significantly separated, and there is a range dependence in the aerosol scattering distribution. This paper discusses the errors introduced by large DIAL wavelength separations and spatial inhomogeneity of aerosols in the atmosphere. A Bernoulli solution for determining the relative distribution of aerosol backscattering in the UV region is presented, and scattering ratio boundary values for these solutions are discussed. The results of this approach are used to derive a backscatter correction to the standard DIAL analysis method. It is shown that for the worst cases of severe range dependence in aerosol backscattering, the residual errors in the corrected DIAL O3 measurements were less than 10 ppbv for DIAL wavelengths at 286 and 300 nm.

Browell, E. V.↗
NASA NTRS1988

Algebraic turbulence models for the computation of two-dimensional high speed flows using unstructured grids

The incorporation of algebraic turbulence models in a solver for the 2-D compressible Navier-Stokes equations using triangular grids is described. A practical way to use the Cebeci Smith model, and to modify it in separated regions is proposed. The ability of the model to predict high speed, perfect gas boundary layers is investigated from a numerical point of view.

Rostand, Philippe↗
NASA NTRS1989

Algebraic turbulence models for the computation of two-dimensional high-speed flows using unstructured grids

The incorporation of algebraic turbulence models in a solver for the 2-D compressible Navier-Stokes equations using triangular grids is described. A practial way to use the Cebeci Smith model, and to modify it in separated regions is proposed. The ability of the model to predict high speed, perfect gas boundary layers is investigated from a numerical point of view.

Rostand, Philippe↗
NASA NTRS1990

Effects of neutral gas release on current collection during the CHARGE-2 rocket experiment

Observations of current collection enhancements due to cold nitrogen gas control jet emissions from a highly charged rocket payload in the ionosphere are reported. These observations were made during the second cooperative high altitude rocket gun experiment (CHARGE-2) which was an electrically tethered mother/daughter payload system. The current collection enhancement was observed at the daughter payload located 100 to 400 m away from the mother which was firing an energetic electron beam. The authors interpret these results in terms of an electrical discharge forming in close proximity to the daughter during the short periods of gas emission. The results indicate that it is possible to enhance the electron current collection capability of positively charged vehicles by means of deliberate neutral gas releases into an otherwise undisturbed space plasma. These results can also be compared with recent laboratory observations of hollow cathode plasma contactors operating in the ignited mode. Experimental observations of current collection enhancements due to cold nitrogen gas control jet emissions from a highly charged, isolated daughter payload in the nighttime ionosphere were made. These observations were derived from the second cooperative high altitude rocket gun experiment (CHARGE-2) which was an electrically tethered mother-daughter payload system. The rocket flew from White Sands Missile Range (WSMR) in December, 1985. The rocket achieved an altitude of 261 km and carried a 1 keV electron beam emitting up to 48 mA of current (Myers, et al., 1989a). The mother payload, carried the electron beam source, while the daughter acted as a remote current collection and observation platform and reached a distance of 426 m away from the main payload. Gas emissions at the daughter were due to periodic thruster jet firings to maintain separation velocity between the two payloads.

Gilchrist, B. E.↗
NASA NTRS1996

Theory of Planetary System Formation

Observations and theoretical considerations support the idea that the Solar System formed by the collapse of tenuous interstellar matter to a disk of gas and dust (the primitive solar nebula), from which the Sun and other components separated under the action of dissipative forces and by the coagulation of solid material. Thus, planets are understood to be contemporaneous byproducts of star formation. Because the circumstellar disks of new stars are easier to observe than mature planetary systems, the possibility arises that the nature and variety of planets might be studied from observations of the conditions of their birth. A useful theory of planetary system formation would therefore relate the properties of circumstellar disks both to the initial conditions of star formation and to the consequent properties of planets to those of the disk. Although the broad outlines of such a theory are in place, many aspects are either untested, controversial, or otherwise unresolved; even the degree to which such a comprehensive theory is possible remains unknown.

Cassen, Patrick↗
NASA NTRS1999

Unsteady Diffusion Flames: Ignition, Travel, and Burnout (SUBCORE Project: Simplified Unsteady Burning of Contained Reactants)

An experimental apparatus for the examination of a planar, virtually strain-rate-free diffusion flame in microgravity has been designed and fabricated. Such a diffusion flame is characterized by relatively large spatial scale and high symmetry (to facilitate probing), and by relatively long fluid-residence time (to facilitate investigation of rates associated with sooting phenomena). Within the squat rectangular apparatus, with impervious, noncatalytic isothermal walls of stainless steel, a thin metallic splitter plate subdivides the contents into half-volumes. One half-volume initially contains fuel vapor diluted with an inert gas, and the other, oxidizer diluted with another inert gas-so that the two domains have equal pressure, density, and temperature. As the separator is removed, by translation in its own plane, through a tightly fitting slit in one side wall, a line ignitor in the opposite side wall initiates a triple-flame propagation across the narrow layer of combustible mixture formed near midheight in the chamber. The planar diffusion flame so emplaced is quickly disrupted in earth gravity. In microgravity, the planar flame persists, and travels ultimately into the half-volume containing the stoichiometrically deficient reactant; the flame eventually becomes extinguished owing to reactant depletion and heat loss to the walls.

Fendell, Francis↗