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At least 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields, volume 3

The computer programs developed to calculate the shock wave precursor and the method of using them are described. This method calculated the precursor flow field in a nitrogen gas including the effects of emission and absorption of radiation on the energy and composition of gas. The radiative transfer is calculated including the effects of absorption and emission through the line as well as the continuum process in the shock layer and through the continuum processes only in the precursor. The effects of local thermodynamic nonequilibrium in the shock layer and precursor regions are also included in the radiative transfer calculations. Three computer programs utilized by this computational scheme to calculate the precursor flow field solution for a given shock layer flow field are discussed.

Carlson, Leland A.↗
DOE OSTI2025

Electrochemical Direct Air Capture of CO 2 Using Redox-Active Textiles

We have used vapor phase chemistry to construct a textile electrode that comprises an immobilized PCET agent, poly(1-aminoanthraquinone) (PAAQ) encapsulated within a conductive polymer, and incorporated it into CO 2 -separating electrochemical flow cells. This system facilitates pH-swing-driven carbon capture from a 1% CO 2 feed and air, with the former at a competitively low energetic cost of 202 kJ/molCO 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Fracture Sustainability in Enhanced Geothermal Systems: Experimental and Modeling Constraints

Enhanced geothermal systems (EGS) offer the potential for a much larger energy source than conventional hydrothermal systems. Hot, low-permeability rocks are prevalent at depth around the world, but the challenge of extracting thermal energy depends on the ability to create and sustain open fracture networks. Laboratory experiments were conducted using a suite of selected rock cores (granite, metasediment, rhyolite ash-flow tuff, and silicified rhyolitic tuff) at relevant pressures (uniaxial loading up to 20.7 MPa and fluid pressures up to 10.3 MPa) and temperatures (150–250 °C) to evaluate the potential impacts of circulating fluids through fractured rock by monitoring changes in fracture aperture, mineralogy, permeability, and fluid chemistry. Because a fluid in disequilibrium with the rocks (deionized water) was used for these experiments, there was net dissolution of the rock sample: this increased with increasing temperature and experiment duration. Thermal-hydrological-mechanical-chemical (THMC) modeling simulations were performed for the rhyolite ash-flow tuff experiment to test the ability to predict the observed changes. These simulations were performed in two steps: a thermal-hydrological-mechanical (THM) simulation to evaluate the effects of compression of the fracture, and a thermal-hydrological-chemical (THC) simulation to evaluate the effects of hydrothermal reactions on the fracture mineralogy, porosity, and permeability. Furthermore, these experiments and simulations point out how differences in rock mineralogy, fluid chemistry, and geomechanical properties influence how long asperity-propped fracture apertures may be sustained. Such core-scale experiments and simulations can be used to predict EGS reservoir behavior on the field scale.

15 GEOTHERMAL ENERGY↗
NASA NTRSDate not supplied

Spectroscopy of Mount Etna Lava Flows as A Proxy for Age: A Potential Analogue to Recent Volcanism on Venus

There is growing evidence of geologically recent volcanism at Venus [1–3], a question that may be resolved by forthcoming missions to our sister planet that will make spectroscopic measurements of the surface. The thick, relatively opaque atmosphere of Venus makes observation difficult, but a few key atmospheric windows in the near-infrared (NIR) around 1 μm make emission from the surface detectable [4]. At these wavelengths, the spectroscopic signature of rocks are due to its primary mineralogy and chemistry, as well as the presence of secondary weathering minerals [2, 5, 6]. If the degree of alteration can be tied to the spectroscopy of Venus analogue materials, then spectroscopy of venusian lava flows can potentially reveal their degree of weathering and thus their age, which in turn gives an estimate of the extent of recent volcanism [2, 7]. A potential Earth analogue to volcanoes on Venus is Mount Etna in Sicily, Italy [8]. This composite volcano is among the most active in the world and features mafic lava flows with definitive ages that exhibit varying degrees of alteration [9]. While Mount Etna is not a perfect analogue due to its different weathering environment, the natural age progression of altered basaltic rock can be a useful comparison. Here, we will investigate how weathering at Mount Etna affects spectroscopic measurements and if this can be used as a proxy for Venus. While planned missions to Venus such as DAVINCI, VERITAS, and EnVision will measure NIR emissivity from the surface, Kirchhoff’s Law states that e = 1 − r, where e is emissivity and r is reflectance, meaning that NIR emissivity can be estimated from reflectance measurements [10]. Given its relative ease, laboratory reflectance spectroscopy is a useful tool to efficiently test potential Venus analogue materials.

Gabriel L Eggers↗
DOE OSTI2020

Non-Contact Vapor Detection of Illicit Drugs via Atmospheric Flow Tube-Mass Spectrometry

Real-time, non-contact detection of illicit drugs is a desirable goal for the interdiction of these controlled substances, but the relatively low vapor pressures of such species present a challenge for trace vapor detection technologies. The introduction of atmospheric flow tube-mass spectrometry (AFT-MS), which has previously been demonstrated to detect gas-phase analytes at low parts-per-quadrillion levels for explosives and organophosphorus compounds, also enables the potential for non-contact drug detection. With AFT-MS, direct vapor detection of cocaine and methamphetamine from ~5 µg residues at room temperature is demonstrated herein. Furthermore, thermal desorption of low- to sub-picogram levels of cocaine, methamphetamine, fentanyl, and heroin is observed via AFT-MS using a carrier flow rate of several L/min of air. These low levels can permit non-contact sampling through collection of vapor, effectively preconcentrating the analyte before desorption and analysis. Quantitative evaluation of the thermal desorption approach has yielded limits of detection (LODs) on order of 10 fg for cocaine and fentanyl, 100 fg for methamphetamine, and 1.6 pg for heroin. The LOD for heroin was lowered to 200 fg by using tributyl phosphate as a dopant to form a proton-bound heterodimer with heroin. When used with AFT-MS, the intentional formation of specific drug-dopant adducts has the potential to enhance detection limits and selectivity of additional drug species. Species that are prone to form adducts present a challenge to analysis, but that difficulty can be overcome by the intentional addition of a dopant. Molecules unlikely to form adducts will remain essentially unimpacted, but the adduct-forming species will interact with the dopant to compress the analyte signal into a single peak. This approach would be valuable in the application of non-contact screening for illicit substances via vapor collection followed by thermal desorption for analysis.

methamphetamine, cocaine, heroin, fentanyl, atmosp↗
DOE OSTI2022

Salinity and hydraulic retention time induce membrane phospholipid acyl chain remodeling in Halanaerobium congolense WG10 and mixed cultures from hydraulically fractured shale wells

Bacteria remodel their plasma membrane lipidome to maintain key biophysical attributes in response to ecological disturbances. For Halanaerobium and other anaerobic halotolerant taxa that persist in hydraulically fractured deep subsurface shale reservoirs, salinity, and hydraulic retention time (HRT) are important perturbants of cell membrane structure, yet their effects remain poorly understood. Membrane-linked activities underlie in situ microbial growth kinetics and physiologies which drive biogeochemical reactions in engineered subsurface systems. Hence, we used gas chromatography–mass spectrometry (GC–MS) to investigate the effects of salinity and HRT on the phospholipid fatty acid composition of H. congolense WG10 and mixed enrichment cultures from hydraulically fractured shale wells. We also coupled acyl chain remodeling to membrane mechanics by measuring bilayer elasticity using atomic force microscopy (AFM). For these experiments, cultures were grown in a chemostat vessel operated in continuous flow mode under strict anoxia and constant stirring. Our findings show that salinity and HRT induce significant changes in membrane fatty acid chemistry of H. congolense WG10 in distinct and complementary ways. Notably, under nonoptimal salt concentrations (7% and 20% NaCl), H. congolense WG10 elevates the portion of polyunsaturated fatty acids (PUFAs) in its membrane, and this results in an apparent increase in fluidity (homeoviscous adaptation principle) and thickness. Double bond index (DBI) and mean chain length (MCL) were used as proxies for membrane fluidity and thickness, respectively. These results provide new insight into our understanding of how environmental and engineered factors might disrupt the physical and biogeochemical equilibria of fractured shale by inducing physiologically relevant changes in the membrane fatty acid chemistry of persistent microbial taxa. GRAPHICAL ABSTRACT Salinity significantly alters membrane bilayer fluidity and thickness in Halanaerobium congolense WG10.

03 NATURAL GAS↗
NASA NTRS1982

Chemical systematics among the moldavite tektites

The compositional variations that occur among the moldavite tektites are caused principally by incomplete mixing of two components during fusion. With the possible exception of silica, there is no evidence for significant losses of volatile species by fractional vaporization. Chemical constraints have been calculated for the two source-materials that contributed to the moldavites. If these tektites were formed by impact fusion, as is commonly believed, then the compositional systematics preserved within the moldavites suggest that hypersonic flow and ejection of impact melts are orderly processes. Insights gained from the study of tektites should prove useful in interpreting the chemistries of impact glasses from other bodies in the solar system.

Delano, J. W.↗
NASA NTRS1995

Two-Dimensional Imaging of OH in a Lean Burning High Pressure Combustor

Planar laser-induced fluorescence (PLIF) images of OH have been obtained from an optically accessible, lean burning high pressure combustor burning Jet-A fuel. These images were obtained using various laser excitation lines of the OH A (reverse arrow) X (1,0) band for several fuel injector configurations with pressures ranging from 1013 kPa (10 atm) to 1419 kPa (14 atm). Non-uniformities in the combusting flow, attributed to differences in fuel injector configuration, are revealed by these images. Contributions attributable to fluorescent aromatic hydrocarbons and complex fuel chemistries are also not evident.

Locke, R. J.↗
NASA NTRS1994

Stabilization Mechanisms and Burning Rates of Cylindrical Burner Flames

A study is conducted of the structure and response of curved (but unstretched), cylindrically-symmetric 1D premixed flames from a cylindrical porous burner. The study has employed (1) activation-energy asymptotics with one-step reaction constant and constant properties; (2) a numerical computation which encompassed detailed chemistry and transport behavior, and (3) drop-tower microgravity tests. Attention was given to the relative importance of heat loss vs. flow divergence as the dominant mechanism for flame stabilization; the results show that, with increasing flow discharge rate, the dominant flame stabilization mechanism changes from heat loss to flow divergence.

Eng, J. A.↗
NASA NTRS1998

The Numerical Investigation of a Dual-Mode Scramjet Combustor

A numerical investigation of a multiple-jet array dual-mode scramjet combustor has been performed utilizing a three-dimensional Navier-Stokes code with finite-rate chemistry. Results indicate substantial upstream interaction in the form of an oblique shock/expansion train upstream of the combustor, culminating in completely subsonic flow in the vicinity of fuel injectors. The flow returns to supersonic velocities in the downstream (diverging) portion of the combustor. Mixing and combustion are rapid in this flow and predicted combustion efficiency closely matches experimental data. However, comparisons of wall pressure between the simulation and the experiment show i) substantial underprediction of the upstream interaction distance and ii) moderate overprediction of peak pressure in the vicinity of the entrance of the combustor. This can be at least partially explained by examination of available experimental data; this data shows a very significant movement of the entering vitiated airflow to the sides of the combustor (around the injector array and the upstream interaction front as a whole). This important effect is currently being examined by an extension of the modeling to include the entire half-duct of the same combustor geometry.

Riggins, David↗
NASA NTRS2002

Thermal Protection System Evaluation Using Arc-jet Flows: Flight Simulation or Research Tool?

The arc-jet has been used to evaluate thermal protection systems (TPS) and materials for the past forty years. Systems that have been studied in this environmerd include ablators, active, and passive TPS concepts designed for vehicles entering planetary and Earth atmospheres. The question of whether arc-jet flow can simulate a flight environment or is it a research tool that provides an aero-thermodynamic heating environment to obtain critical material properties will be addressed. Stagnation point tests in arc-jets are commonly used to obtain material properties such as mass loss rates, thermal chemical stability data, optical properties, and surface catalytic efficiency. These properties are required in computational fluid dynamic codes to accurately predict the performance of a TPS during flight. Special facilities have been developed at NASA Ames Research Center to approximate the flow environment over the mid-fuselage and body flap regions of proposed space-planes type vehicles. This paper compares flow environments generated in flight over a vehicle with those created over an arc-jet test articles in terms of scale, chemistry, and fluid dynamic properties. Flight experiments are essential in order to validate the material properties obtained from arc-jet tests and used to predict flight performance of any TPS being considered for use on a vehicle entering the Earth atmosphere at hypersonic speed.

Stewart, David A.↗
NASA NTRS2016

Synthesis, Characterization and Evaluation of Urethane Co-Oligomers Containing Pendant Fluoroalkyl Ether Groups

Coatings with the ability to minimize adhesion of insect residue and other debris are of great interest for future aircraft. These aircraft will exhibit increased fuel efficiency by maintaining natural laminar flow over greater wing chord distances. Successful coatings will mitigate the adhesion of debris on laminar flow surfaces that could cause a premature transition to turbulent flow. The use of surface modifying agents (SMA) that thermodynamically orient towards the air side of a coating can provide specific surface chemistry that may lead to a reduction of contaminate adhesion. Aluminum surfaces coated with urethane co-oligomers containing various amounts of pendant fluoroalkyl ether groups were prepared, characterized and tested for their abhesive properties. The coated surfaces were subjected to controlled impacts with wingless fruit flies (drosophila melanogaster) using both a benchtop wind tunnel and a larger-scale wind tunnel test facility. Insect impacts were recorded and analyzed using high-speed digital photography and the remaining residues characterized using optical surface profilometry and compared to that of an aluminum control. It was determined that using fluorinated oligomers to chemically modify coating surfaces altered the adhesion properties relative to the adhesion of insect residues to the surface.

Jereme R Doss↗
NASA NTRSDate not supplied

Chemical Challenge Tests on ISS Fire Cartridges

Following a confirmed combustion event onboard the International Space Station (ISS), crewmembers will don Emergency Masks, each fitted with 2 ISS fire cartridge filters. As the crewmember breathes through the filters, combustion products in the cabin air are either filtered or catalyzed by the fire cartridge media to minimize crew exposure to harmful levels of contaminants. Rigorous certification, acceptance, and surveillance programs for the fire cartridges ensure that each lot meets stringent performance requirements during the beginning of and throughout the service life of the cartridges. In accordance with the Quality/Acceptance Test Plan, multiple fire cartridges from each lot undergo chemical challenge tests, with each test lasting 2.5 hours and involving one or more chemicals at specified concentrations. These tests are conducted at specific temperatures, humidity levels, and gas flow rates intended to mimic the worst-case conditions for fire cartridge performance. These challenge tests are conducted by the Environmental Chemistry Laboratory at the NASA Lyndon B. Johnson Space Center. The majority of the challenge tests focus on carbon monoxide (CO), but other gases include hydrogen cyanide (HCN), hydrogen chloride (HCl), cyclohexane, acrolein, and acetaldehyde. A fire cartridge is exposed to the test gas in a test chamber at the specified conditions and the outlet is monitored for breakthrough during the 2.5-hour test. This paper will briefly introduce fire cartridges and how they work, then discuss details of the challenge gas delivery and exposure system, breakthrough monitoring methods, and discussion of issues that have arisen during the course of the test program. Although the focus of this paper will be on the conduction of the challenge tests, a general summary of the performance of the fire cartridges will be provided.

Fire Cartridge↗
NASA NTRSDate not supplied

Chemical Challenge Tests on ISS Fire Cartridges

Following a confirmed combustion event onboard the International Space Station (ISS), crew members will don Emergency Masks, each fitted with 2 ISS fire cartridge filters. As the crew member breathes through the filters, combustion products in the cabin air are either filtered or catalyzed by the fire cartridge media to minimize crew exposure to harmful levels of contaminants. Rigorous certification, acceptance, and surveillance programs for the fire cartridges ensure that each lot meets stringent performance requirements throughout the service life of the cartridges. In accordance with the Quality/Acceptance Test Plan, multiple fire cartridges from each lot undergo chemical challenge tests involving one or more chemicals at specified concentrations. These tests are conducted at specific temperatures, humidity levels, and gas flow rates intended to mimic the worst-case conditions for fire cartridge performance. These challenge tests are conducted by the Environmental Chemistry- Laboratory at the NASA Lyndon B. Johnson Space Center. Many of the challenge tests focus on carbon monoxide (CO), but other gases include hydrogen cyanide (HCN), hydrogen chloride (HCl), cyclohexane, acrolein, ammonia (NH3), and acetaldehyde. A fire cartridge is exposed to the test gas in a chamber at the specified conditions, and the outlet is monitored for breakthrough during the 2.5-hour test. This paper will briefly introduce fire cartridges and how they work and will then discuss details of the challenge gas delivery and exposure system, breakthrough monitoring methods, and discussion of issues that have arisen during the course of the test program. Although the focus of this paper will be on the challenge tests, a general summary of the performance of the fire cartridges will also be provided.

Cristina M. Muko↗
NASA NTRS1999

Distributed Pore Chemistry in Porous Organic Polymers

A method for making a biocompatible polymer article using a uniform atomic oxygen treatment is disclosed. The substrate may be subsequently optionally grated with a compatibilizing compound. Compatibilizing compounds may include proteins, phosphorylcholine groups, platelet adhesion preventing polymers, albumin adhesion promoters, and the like. The compatibilized substrate may also have a living cell layer adhered thereto. The atomic oxygen is preferably produced by a flowing afterglow microwave discharge. wherein the substrate resides in a sidearm out of the plasma. Also, methods for culturing cells for various purposes using the various membranes are disclosed as well. Also disclosed are porous organic polymers having a distributed pore chemistry (DPC) comprising hydrophilic and hydrophobic regions. and a method for making the DPC by exposing the polymer to atomic oxygen wherein the rate of hydrophilization is greater than the rate of mass loss.

Koontz, Steven L.↗
DOE OSTI2025

Autonomous Flow Electrochemistry for Accelerated Catalyst Discovery

Our objective is to develop an Autonomous Chemical Experimentation (ACE) platform that accelerates discovery of new catalytic transformations and other energy-relevant chemical reactions and processes. We intentionally designed ACE to be highly modular, both with respect to its rapid deployment to different chemistries and experimental workflows as well as incorporation of a wide range of different AI algorithms. In addition to the development of the core software architecture, initial efforts were made to incorporate Large Language Models to provide human-interpretable reasoning of the optimizer’s actions, and to develop a user-friendly graphical interface for experimental researchers. ACE was demonstrated using a flow electrocatalysis platform containing an inline FTIR spectrometer for real-time analysis and quantification of the reaction outcome. Human-in-the-loop experiments were performed in which a human researcher conducted an experiment using electrode potentials suggested by ACE, then fed the spectral data back to ACE for decision making. After confirming the successful function of the optimizer, efforts were next directed to automation of the hardware and performed full autonomy tests using three reactions: catalytic oxidation of formate, catalytic oxidation of cyclohexanol, and oxidation of hydroquinone. These studies confirm that ACE can close the loop between reaction execution, analysis, and optimization. They also reveal that more improved product detection methods will be essential for ACE to make well-informed decisions for reactions with low conversions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1997

Computation of Reacting Flows in Combustion Processes

The main objective of this research was to develop an efficient three-dimensional computer code for chemically reacting flows. The main computer code developed is ALLSPD-3D. The ALLSPD-3D computer program is developed for the calculation of three-dimensional, chemically reacting flows with sprays. The ALL-SPD code employs a coupled, strongly implicit solution procedure for turbulent spray combustion flows. A stochastic droplet model and an efficient method for treatment of the spray source terms in the gas-phase equations are used to calculate the evaporating liquid sprays. The chemistry treatment in the code is general enough that an arbitrary number of reaction and species can be defined by the users. Also, it is written in generalized curvilinear coordinates with both multi-block and flexible internal blockage capabilities to handle complex geometries. In addition, for general industrial combustion applications, the code provides both dilution and transpiration cooling capabilities. The ALLSPD algorithm, which employs the preconditioning and eigenvalue rescaling techniques, is capable of providing efficient solution for flows with a wide range of Mach numbers. Although written for three-dimensional flows in general, the code can be used for two-dimensional and axisymmetric flow computations as well. The code is written in such a way that it can be run in various computer platforms (supercomputers, workstations and parallel processors) and the GUI (Graphical User Interface) should provide a user-friendly tool in setting up and running the code.

Keith, Theo G., Jr.↗