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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

Quasi-Liquid Layer Formation on Ice under Stratospheric Conditions

Characterization of the interaction of hydrogen chloride (HCl) with ice is essential to understanding at a molecular level the processes responsible for ozone depletion involving polar stratospheric cloud (PSC) particles. To explain the catalytic role PSC particle surfaces play during chlorine activation, we proposed previously that HCl induces the formation of a disordered region on the ice surface, a quasi-liquid layer (QLL), at stratospheric conditions. The QLL is known to exist in pure ice crystals at temperatures near the melting point, but its existence at stratospheric temperatures (-85 C to -70 C) had not been reported yet. We studied the interaction of HCl with ice under stratospheric conditions using the complementary approach of a) ellipsometry to directly monitor the ice surface, using chemical ionization mass spectrometry (CIMS) to monitor the gas phase species present in the ellipsometry experiments, and b) flow-tube experiments with CIMS detection. Here we show that trace amounts of HCl induce QLL formation at stratospheric temperatures, and that the QLL enhances the chlorine-activation reaction of HCl with chlorine nitrate (ClONO2), and also enhances acetic acid (CH3COOH) adsorption.

McNeill, V. Faye↗
NASA NTRS2008

Measurements of Trace Gases in the Tropical Tropopause Layer

A unique dataset of airborne in situ observations of HCl, O3, HNO3, H2O, CO, CO2 and CH3Cl has been made in and near the tropical tropopause layer (TTL). A total of 16 profiles across the tropopause were obtained at latitudes between 10degN and 3degs from the NASA WB-57F high-altitude aircraft flying from Costa Rica. Few in situ measurements of these gases, particularly HCl and HNO3, have been reported for the TTL. The general features of the trace gas vertical profiles are consistent with the concept of the TTL as distinct from the lower troposphere and lower stratosphere. A combination of the tracer profiles and correlations with O3 is used to show that a measurable amount of stratospheric air is mixed into this region. The HCl measurements offer an important constraint on stratospheric mixing into the TTL because once the contribution from halocarbon decomposition is quantified, the remaining HCl (>60% in this study) must have a stratospheric source. Stratospheric HCl in the TTL brings with it a proportional amount of stratospheric O3. Quantifying the sources of O3 in the TTL is important because O3 is particularly effective as a greenhouse gas in the tropopause region.

Marcy, T. P.↗
NASA NTRS2016

The Investigation of Chlorate/Iron-Phase Mixtures as a Possible Source of Oxygen and Chlorine Detected by the Sample Analysis at Mars (SAM) Instrument in Gale Crater, Mars

The Sample Analysis at Mars (SAM) instrument on board the Curiosity Rover has detected oxygen and HCl gas releases from all analyzed Gale Crater sediments. The presence of perchlorate ClO4(sup-) and/or chlorates ClO3(sup-) are potential sources of the aforementioned O2 releases. The detections of O2 and HCl gas releases and chlorinated hydrocarbons by SAM coupled with the detection of perchlorates by Phoenix Lander's 2008 Wet Chemistry Laboratory all suggest that perchlorates, and possibly chorates, may be present in the Gale Crater sediments. Previous laboratory studies have attempted to replicate these O2 releases by heating perchlorates and chlorates in instruments operated similarly to those in the SAM instrument. Early studies found that pure perchlorates release O2 at temperatures higher than those observed in SAM data. Subsequently, studies were done to test the effects of mixing iron-phase minerals, analogous to those detected on Mars by ChemMin, with perchlorates. The iron in these minerals acts as a catalyst and causes O2 to be released from the perchlorate at a lower temperature. These studies found that perchlorate solutions mixed with either Hawaii palagonite or ferrihydrite produce O2 releases at temperatures similar to the Rocknest (RN) windblown deposit and the John Klein (JK) drill sample from the Sheepbed mudstone. The study also determined that perchlorate mixtures with magnetite, hematite, fayalite-magnetite, ilmentite, and pyrrhotite produce O2 releases at temperatures similar to the Confidence Hills (CH) drill sample from the Murray mudstone. Oxygen re-leases from pure chlorates were recently compared with the SAM data. Laboratory analyses determined that Ca-chlorate produces O2 and HCl peaks that are similar to those detected in RN and JK materials. Currently, no perchlorate/chlorate mixture with iron-phase minerals can explain the O2 releases from either the Cumberland (CB) drill sample from the Sheepbed mudstone or Windjana (WJ) drill sample from the Kimberly sandstone. Mixtures of chlorate solutions with iron-phase minerals may produce O2 peaks at temperatures that match those from CB and WJ materials. The goal of this work is to determine if heating chlorate solutions mixed with iron-phase minerals will produce O2 and HCl peak temperatures similar to O2 and HCl peak temperatures of sediments analyzed by SAM, particularly the WJ and CB materials.

Clark, J.↗
DOE OSTI2023

Mechanistic insights into the pyrolysis of poly (vinyl chloride)

The accumulation of unmanaged plastic waste in the environment has a devastating impact upon marine life and human health. Catalytic and thermal pyrolysis are promising technologies toward the efficient utilization of plastic waste. Yet, the processing of polymers, such as polyvinyl chloride (PVC), that decompose into corrosive compounds remains a major challenge. In this work, we employ density functional theory (DFT) and thermogravimetric analysis (TGA) to explore the elementary chemical steps that underpin the thermal decomposition of PVC. We determine that the dehydrochlorination reaction (i.e., 1 st stage of thermal decomposition) begins in tertiary chloride defects and propagates via HCl–mediated autocatalysis of internal allylic (IA) chloride groups. The latter groups, when in the vicinity of π–conjugated polymer segments, release HCl in a facile manner. We predict that other compounds, including hydrogen halides and H 2 O could also catalyze PVC’s dehydrochlorination. We suggest that hydrogen halides are the most efficient catalysts for this process, while other compounds like H 2 O may slow down the dehydrochlorination compared to purely HCl-catalyzed process, because of the dilution of the produced HCl. This result is corroborated by TGA experiments. Additionally, we study the thermochemistry and kinetics of polyene chain crosslinking and the formation of aromatics. The former reaction proceeds in parallel with the dehydrochlorination process (i.e., during the 1st stage of thermal decomposition), whilst the latter may occur at high temperatures (i.e., during the 2 nd stage of thermal decomposition). Furthermore, this work contributes to the fundamental understanding of molecular scale phenomena that take place during PVC pyrolysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Rapid separation of radiopure yttrium-91 for tracer studies from mixed fission products and uranium

A novel, single step method for isolating 91 Y from irradiated uranium and mixed fission products has been developed based on the commercially available Eichrom LN resin. The separation procedure allows for loading an LN resin column with an irradiated uranium solution, containing mixed fission products, in dilute HCl where both uranium and yttrium are retained on the resin. Eluting dilute (0.5–1 M) HCl will strip the majority of fission products. Furthermore, increasing the concentration to 3 M HCl will elute 91 Y without the presence of any other fission products. Finally, uranium can be recovered by passing concentrated HCl through the column.

Chromatography↗
DOE OSTI2026

Multinuclear Solid-State NMR and NMR Crystallography of Solid Forms of Creatine and Creatinine

Creatine is a performance-enhancing supplement with two widely available commercial solid forms, namely, creatine monohydrate (creatine·H 2 O) and creatine HCl, the latter of which does not have a reported crystal structure. Moreover, commercial formulations of creatine may contain creatinine, an undesired impurity phase resulting from the self-cyclization of creatine during manufacturing. Therefore, reliable methods for characterizing the different solid forms of creatine and detecting the presence of creatinine are essential. Herein, we address these challenges using 13 C, 15 N, and 35 Cl solid-state NMR (SSNMR) spectroscopy to obtain distinct spectral fingerprints for creatine·H 2 O and creatine HCl, along with creatinine and creatinine HCl. The acquisition of these SSNMR spectra offers a robust approach for both the rapid characterization of each solid form and the detection of the impurity phases. Additionally, quadrupolar NMR crystallography-guided crystal structure prediction (QNMRX-CSP) was applied for the de novo crystal structure determination of creatine HCl, which was validated by the subsequently determined single-crystal X-ray diffraction (SCXRD) structure. Finally, to investigate the relationship between NMR parameters and structural features, 13 C and 15 N chemical shifts and 35 Cl electric field gradient (EFG) tensors were computed from geometry-optimized structures of the four solid forms by using dispersion-corrected DFT-D2* methods. Finally, this integrative approach offers a powerful framework for advancing the structural understanding and quality control of creatine-based supplements and next-generation formulations, as well as a wide range of other solid pharmaceuticals and nutraceuticals.

NMR↗
DOE OSTI2023

Light-trapping structures fabricated in situ for ultrathin III-V solar cells

Here, we describe a fully in situ method of fabricating light-scattering structures on III-V materials that generates a rough morphology via vapor phase etching and redeposition. Fully in situ methods support higher industrial throughput by utilizing the growth reactor to generate the light-trapping structures after device growth without removal from the reactor. We use HCl and PH 3 to etch and redeposit scattering morphologies on Ga 0.5 In 0.5 P in a dynamic hydride vapor phase epitaxy (D-HVPE) reactor. We show that the addition of PH 3 leads to redeposition during the vapor phase HCl etching of Ga 0.5 In 0.5 P and that HCl flow rate and time exposed to HCl-PH 3 each independently cause a linear increase in the redeposited feature size, indicating that redeposition proceeds by island growth in a III-Cl-limited, hydride-enhanced HVPE regime. Auger electron spectroscopy and scanning transmission electron microscopy with energy dispersive spectroscopy (STEM-EDS) reveal redeposition to be highly Ga-rich GaInP, i.e., Ga(In)P. The Ga-rich nature of the redeposition results from the higher thermodynamic driving force for Ga incorporation than for In during HVPE growth and the difference in the volatility of the III-Cl etch products. The resulting morphologies have high broadband scattering, as determined by normal specular reflectance and integrating sphere measurements, indicating effectiveness as light-scattering structures. In a 270-nm-thick GaAs photovoltaic device with a textured back surface, we achieve a 4.9% increase in short circuit current density (J SC ) without any loss in open-circuit voltage (V OC ) relative to a planar control using only a 60 s in situ texturing treatment.

14 SOLAR ENERGY↗
DOE OSTI2025

Fractionation of Filamentous Algae from Mixed Biofilms

Filamentous algae, which grow in long, hair-like filaments within biofilms, play a crucial role in wastewater treatment due to their ability to produce significant biomass and their resistance to predation compared to traditional microalgal treatments. These algae can effectively uptake and utilize pollutants, particularly excessive nitrogen (ammonia, nitrate, nitrite) and phosphorus (phosphate), making filamentous algae valuable for wastewater treatment, as well as bioethanol and biodiesel production due to high lipid productions. However, each algal species possesses different capacities, necessitating a thorough genetic identification and understanding of each community. A major challenge in accurately assessing these communities is the lack of coverage in large sequencing databases which can lead to misrepresentation of the true composition and abundance of organisms and overall sequencing bias. To address this, I evaluated chemical and physical techniques for separating filamentous algae from mixed biofilms to achieve clean genetic sequencing results. I employed pH washing (0.001M HCl, 0.001M HCl, DiH2O, 0.0001M HCl, 0.001M HCl) for chemical treatment, followed by physical separation through centrifugation (5000rpm, 6500rpm) or filtration (2mm, 250um, 75um). The most successful method was deionized water washing, which yielded clear differences across stacked filters; the 2mm filtrate showed high levels of filamentous algae, with microalgae eluting in the 75um filtrate or remaining within agglutinations of algae larger filters. Base washing eluted the highest concentrations of microalgae, with larger filter sizes retaining more filamentous algae, indicating the breakdown of extracellular polymeric substances (EPS). Our downstream plans include sending the high-throughput next-generation sequencing to confirm the purity and ratios of filamentous and non-filamentous algae, as well as bacteria present, thereby validating the success of our treatments. Potential applications include creating community-based fractions for analysis, refining current sequencing data with clearer isolations, and generating designer biofilms to enhance our understanding of community interactions.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1973

Alternate propellants for the space shuttle solid rocket booster motors

As part of the Shuttle Exhaust Effects Panel (SEEP) program for fiscal year 1973, a limited study was performed to determine the feasibility of minimizing the environmental impact associated with the operation of the solid rocket booster motors (SRBMs) in projected space shuttle launches. Eleven hypothetical and two existing limited-experience propellants were evaluated as possible alternates to a well-proven state-of-the-art reference propellant with respect to reducing emissions of primary concern: namely, hydrogen chloride (HCl) and aluminum oxide (Al2O3). The study showed that it would be possible to develop a new propellant to effect a considerable reduction of HCl or Al2O3 emissions. At the one extreme, a 23% reduction of HCl is possible along with a ll% reduction in Al2O3, whereas, at the other extreme, a 75% reduction of Al2O3 is possible, but with a resultant 5% increase in HCl.

Source record↗
NASA NTRS1974

The continuous measurement of hydrogen chloride in the ambient atmosphere using the dual isotope infrared absorption technique

The results of a program to develop a prototype gas filter correlation NDIR analyzer capable of providing the required HCl measurement capability, while maintaining an adequate rejection of any other gases anticipated in the atmosphere are presented. Examples of the performance of the prototype analyzer are presented which show an rms noise equivalent concentration of 0.06 ppm of HCl was achieved while maintaining an electronically determined 10% to 90% time response to gas samples of about 2 seconds. No measureable response was observed to CO2, CO, and H2O while maintaining an adequate rejection of the hydrocarbons, for example CH4 and n-hexane. The experiments were performed which demonstrate that the span stability of the HCl gas filter correlation analyzer is unaffected by the presence of water vapor and which support the belief that the incorporation of a relatively open-volume, multiple path sample cell into the instrument would enable ground station as well as airborne measurements of trace quantities of HCl in the ambient atmosphere to be performed.

Williams, K. G.↗
NASA NTRS1976

Indicator providing continuous indication of the presence of a specific pollutant in air

A continuous HCl in-air indicator was developed which consists of a tube-like element with an inlet end through which a continuous stream of air containing HCl enters. The air flows downstream from the inlet end and exits the element's outlet end. Positioned between the element's inlet and outlet ends are first and second spaced apart photoelectric units, which are preferably positioned adjacent the inlet and outlet ends, respectively. Ammonia gas is injected into the air, flowing through the element, at a position between the two photoelectric units. The ammonia gas reacts with the HCl in the air to form ammonium chloride particles. The difference between the outputs of the two photoelectric units is an indication of the amount of HCl in the air stream.

Miller, C. G.↗
NASA NTRS1980

In situ exhaust cloud measurements

Airborne in situ exhaust cloud measurements were conducted to obtain definitions of cloud particle size range, Cl2 content, and HCl partitioning. Particle size distribution data and Cl2 measurements were made during the May, August, and September 1977 Titan launches. The measurements of three basic effluents - HCl, NO sub X, and particles - against minutes after launch are plotted. The maximum observed HCl concentration to the maximum Cl2 concentration are compared and the ratios of the Cl2 to the HCl is calculated.

Wornom, D.↗
NASA NTRS1986

Chemistry of chlorine in dense interstellar clouds

Laboratory experiments and theoretical modeling show that the chemistry of chlorine is fairly simple in dense interstellar clouds, with Cl and HCl as the only species whose fractional abundances are significant. The estimated fraction of gas-phase chlorine present as HCl lies between 25-65 percent, in good agreement with the recent observations of the ground state HCl transition by Blake, Keene, and Philips (1985). These results, combined with the observational limits on HCl, indicate that chlorine is not severely depleted in dense interstellar clouds.

Blake, G. A.↗
NASA NTRS1988

Chemistry of the Antarctic stratosphere

Interferometric measurements of HCl, ClNO3, HNO3, NO2, and NO obtained over the Antarctic in 1986 are used to model the chemistry of the atmosphere in the region of the Ozone Hole. The low abundance noted in stratospheric HCl is attributed to incorporation of HCl in polar stratospheric clouds and subsequent reaction of HCl with ClNO3. The results point to a net loss of HNO3 from the stratosphere and to the suppression of the abundance of odd nitrogen at high altitudes in the vortex. O3 loss is suggested to be due to the catalytic influence of halogen radicals.

Mcelroy, Michael B.↗
NASA NTRS1988

Infrared aircraft measurements of stratospheric composition over Antarctica during September 1987

The JPL Mark IV interferometer recorded high resolution, infared solar spectra from the NASA DC-8 aircraft during flights over Antarctica in September 1987. The atmospheric absorption features in these spectra were analyzed to determine the overburdens of O3, NO, NO2, HNO3, ClONO2, HCl, HF, CH4, N2O, CO, H2O and CFC-12. The spectra were obtained at latitudes which ranged between 64 degrees S and 86 degrees S, allowing the composition in the interior of the polar vortex to be compared with that at the edge. The latitude dependence observed for NO, HO2, HNO3, ClONO2, HCl and HF are summerized. The values at 30 deg S were observed on the ferry flight from New Zealand to Hawaii. The dashed lines connecting the two were interpolated across the region for which there are no measurements. The chemically perturbed region is seen to consist of a collar of high HNO3 and ClONO2 surrounding a core in which the overburdens of these and of HCl and NO2 are very low. Clear increases in the overburdens of HF and HNO3 were observed during the course of September in the vortex core. HCl and NO2 exhibited smaller, less significant increases. The overburdens of the tropospheric source gases, N2O, CH4, CF2Cl2, and H2O were observed to much smaller over Antarctica than at mid-latitudes. This, together with the fact that HF over Antarctica was more that double its mid-latitude value, suggests that downwelling has occurred.

Toon, Goeff C.↗
NASA NTRS1988

Infrared measurements in the spring 1987 ozone hole

Solar spectra were recorded from Arrival Heights (McMurdo), Antartica, with a FTIR system during the austral spring of 1987. Spectra were recorded on 22 days from September 13 through October 28. The instrument was setup with 2 detectors for simultaneous operation in 2 wavelength regions. Several stratospheric gases have measurable absorptions in these regions including HCl, HNO3, O3, ClONO2, and NO2. The system is equipped with an automatic solar tracking system and records data on tape cartridges. A portable personal computer allows Fourier transforming and initial processing of some of the data. The HNO3 gas column amount shows large variations, but no apparent correlation with stratospheric temperature. The HCl column shows a steady increase from 0.9 x 10 to the 15th power molecules/sq.cm. on September 13 to 1.5 x 10 to the 15th power on October 6. McMurdo moved out of the polar vortex for a few days, and the HCl column jumped to 2.9 x 10 to the 15th power by October 11. Although McMurdo moved back under the vortex, the HCl continued to increase, reaching 3.4 x 10 to the 15th power at the end of the period.

Murcray, F. J.↗
NASA NTRS1990

Airborne measurements of stratospheric constituents over the Arctic in the winter of 1989

A Fourier transform spectrometer aboard the NASA DC-8 aircraft was used during the Airborne Arctic Stratospheric Expedition (AASE) to record infrared absorption spectra of the polar stratosphere. From these high resolution spectra, vertical column amounts above flight altitude were derived of O3, CH4, N2O, H2O, HCl, HF, NO, NO2, ClONO2, and HNO3 for eleven flights poleward of 60 deg N. In this paper, measurements on the flight of January 26, 1989 were derived when the flight path during the observations crossed from outside the polar vortex to inside. This allowed a clear comparison of the conditions of the air within the vortex with that outside. Observations of passive tracers such as CH4 and HF indicate that air of a certain composition within the polar vortex occurs at lower altitude than air outside. Within the vortex, markedly reduced columns of HCl and NO2. The ratio of HCl to HF column dropped from its typical midlatitude value of 4.5 to as low as 1.7 within the vortex, implying that the HCl had been chemically or physically removed from the air in the vortex. In contrast to the Antarctic observations, HNO3 values were elevated within the vortex.

Mankin, William G.↗
NASA NTRS1993

Solid propellant exhausted aluminum oxide and hydrogen chloride - Environmental considerations

Measurements of gaseous hydrogen chloride (HCl) and particulate aluminum oxide (Al2O3) were made during penetrations of five Space Shuttle exhaust clouds and one static ground test firing of a shuttle booster. Instrumented aircraft were used to penetrate exhaust clouds and to measure and/or collect samples of exhaust for subsequent analyses. The focus was on the primary solid rocket motor exhaust products, HCl and Al2O3, from the Space Shuttle's solid boosters. Time-dependent behavior of HCl was determined for the exhaust clouds. Composition, morphology, surface chemistry, and particle size distributions were determined for the exhausted Al2O3. Results determined for the exhaust cloud from the static test firing were complicated by having large amounts of entrained alkaline ground debris (soil) in the lofted cloud. The entrained debris may have contributed to neutralization of in-cloud HCl.

Cofer, W. R., III↗