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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

Analysis of organic compounds in returned comet nucleus samples

Techniques for analysis of organic compounds in returned comet nucleus samples are described. Interstellar, chondritic and transitional organic components are discussed. Appropriate sampling procedures will be essential to the success of these analyses. It will be necessary to return samples that represent all the various regimes found in the nucleus, e.g., a complete core, volatile components (deep interior), and crustal components (surface minerals, rocks, processed organics such as macromolecular carbon and polymers). Furthermore, sampling, storage, return, and distribution of samples must be done under conditions that preclude contamination of the samples by terrestrial matter.

Cronin, J. R.↗
NASA NTRS1976

Origin of organic compounds on the primitive earth and in meteorites

The paper examines the role and relative contributions of different forms of energy to the synthesis of amino acids and other organic compounds on the primitive earth and in the solar nebula. Attention is directed mainly to the activation steps and formation of reactive intermediate compounds. Electric discharges appear to be not only the most efficient energy for amino acid synthesis but also yield a mixture of amino acids that is qualitatively and quantitatively the same as that found in the Murchison carbonaceous chondrite. Ultraviolet light is likely to have played a major role in prebiotic synthesis. The reaction of CO plus H2 plus NH3 on the surface of a Fischer-Tropsch catalyst produces reactive intermediates which lead to amino acids and other organic compounds in a much less efficient way than electric discharges.

Miller, S. L.↗
NASA NTRS2011

Atmospheric Chemistry of Micrometeoritic Organic Compounds

Micrometeorites approx.100 m in diameter deliver most of the Earth s annual accumulation of extraterrestrial material. These small particles are so strongly heated upon atmospheric entry that most of their volatile content is vaporized. Here we present preliminary results from two sets of experiments to investigate the fate of the organic fraction of micrometeorites. In the first set of experiments, 300 m particles of a CM carbonaceous chondrite were subject to flash pyrolysis, simulating atmospheric entry. In addition to CO and CO2, many organic compounds were released, including functionalized benzenes, hydrocarbons, and small polycyclic aromatic hydrocarbons. In the second set of experiments, we subjected two of these compounds to conditions that simulate the heterogeneous chemistry of Earth s upper atmosphere. We find evidence that meteor-derived compounds can follow reaction pathways leading to the formation of more complex organic compounds.

Kress, M. E.↗
DOE OSTI2024

Source apportionment of airborne volatile organic compounds near unconventional oil and gas development

Oil and natural gas (ONG) extraction emits volatile organic compounds (VOCs). Certain VOCs are identified as hazardous air pollutants (HAPS) while others contribute to ozone formation. This study examines the impact of ONG operations on VOC levels during the development of multi-well ONG pads in suburban Broomfield, Colorado. From October 2018 to December 2020, weekly VOC measurements were taken at 18 sites across the area. These included spots near well pads, in adjacent neighborhoods, and at a background site, covering various stages of well pad development including drilling, hydraulic fracturing, flowback, and production. Analysis using Positive Matrix Factorization (PMF) identified six factors, including combustion, background/biogenic sources, light and complex alkanes, drilling activities, and ONG acetylene. Factors linked to local ONG activities exhibited clear temporal and spatial correlations with Broomfield well development. Benzene source analysis revealed distinct contribution gradients, with ONG-related sources notably influencing areas near the well pads, particularly in pre-production. ONG-related weekly benzene contributions varied from 9% to 63% at a community background site and 18% to 89% in a neighborhood close to a well pad.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2017

Mass Spectra Deconvolution of Gaseous Mixtures Containing Volatile Organic Compounds

The Spacecraft Atmosphere Monitor (S.A.M.) analyzes all gaseous pollutants in the 1-150Th mass-to-charge range based on their positive-ion mass spectra. Of particular interest is the Trace Gas Analysis (TGA) mode of operation in which S.A.M detects minute amounts of volatile organic compounds (VOC). Pollutant component of the ambient air is sampled on demand in twenty full mass spectra per second. All spectra is accumulated in two-second intervals by an on-board Field Programmable Gate Arrays (FPGA) unit. Mass spectra represents the number of detected fragment ions in a given mass-to-charge ratio channel. Electron impact ionization of neutral molecules results in creation of numerous fragment ions and most of organic compounds will contribute several identical fragments. Despite the presence of these molecular isobars, we developed the deconvolution algorithm capable of identifying target species based on their characteristic fragmentation patterns. We investigate the efficiency of deconvolution algorithm as a function of mass resolution with which mass spectrum is acquired. Higher the mass resolution, better the chances are to distinguish between stereoisomers using their fragmentation propensities, but also results in higher data volumes to be processed by a set of small footprint software stacks hosted by an on-board computer. Finding the balance between deconvolution accuracy and generated data volume under time constrains and limited computing resources is the main topic of this study.

Darrach, M.↗
DOE OSTI2026

Chemical ionization mass spectrometry utilizing benzene cations for measurements of volatile organic compounds and nitric oxide

We evaluate the capability of chemical ionization mass spectrometry (CIMS) using benzene cations as reagent ions (benzene CIMS) for detecting atmospheric trace gases. We characterize the ionization pathways and product ion distributions for 27 analytes spanning diverse chemical classes. To interpret the complex ion chemistry involving two reagent ions (C 6 H$^{+}_{6}$ and (C 6 H 6 )$^{+}_{2}$) and multiple ionization pathways (charge transfer, proton transfer, adduct formation, and hydride abstraction), we introduce a thermodynamics-based framework that classifies analytes into three categories based on their ionization energy (IE), relative to those of benzene monomer (9.24 eV) and dimer (8.69 eV). Each class exhibits distinct ionization mechanisms and product ions. Analytes with IE smaller than 8.69 eV (low IE) undergo charge transfer with both reagent ions; analytes with IE between 8.69 and 9.24 eV (mid IE) undergo charge transfer with C 6 H$^{+}_{6}$ and potential adduct formation with (C 6 H 6 )$^{+}_{2}$; analytes with IE larger than 9.24 eV (high IE) could undergo adduct formation, proton transfer, or hydride abstraction. Analytes within each class also show similar sensitivity, enabling sensitivity estimation for compounds lacking calibration standards. In addition to volatile organic compounds (VOCs), benzene CIMS detects nitric oxide (NO) with a detection limit of 5 pptv for 1 min integration time, exceeding the performance of most commercial NOx analyzers. Field deployments in Chicago and St. Louis demonstrate good agreement with reference NO measurements. Isoprene measurements show good agreement with a co-located gas chromatography–photoionization detector (GC-PID) in St. Louis, but exhibit substantial positive bias in Chicago, likely due to interferences from anthropogenic VOCs in the polluted urban environment. These results highlight the potential of benzene CIMS for concurrent measurements of NO, VOCs, and their oxidation products using a single instrument, while also underscoring challenges in complex atmospheric conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

Organic compounds in meteorites

Recent studies of carbonaceous chondrites provide evidence that certain organic compounds are indigenous and the result of an abiotic, chemical synthesis. The results of several investigators have established the presence of amino acids and precursors, mono- and dicarboxylic acids, N-heterocycles, and hydrocarbons as well as other compounds. For example, studies of the Murchison and Murray meteorites have revealed the presence of at least 40 amino acids with nearly equal abundances of D and L isomers. The population consists of both protein and nonprotein amino acids including a wide variety of linear, cyclic, and polyfunctional types. Results show a trend of decreasing concentration with increasing carbon number, with the most abundant being glycine (41 n Moles/g). These and other results to be reviewed provide persuasive support for the theory of chemical evolution and provide the only natural evidence for the protobiological subset of molecules from which life on earth may have arisen.

Lawless, J. G.↗
NASA NTRS2001

Analysis of Volatile Organic Compounds in a Controlled Environment: Ethylene Gas Measurement Studies on Radish

Volatile organic compound(VOC), ethylene gas, was characterized and quantified by GC/FID. 20-50 ppb levels were detected during the growth stages of radish. SPME could be a good analytical tool for the purpose. Low temperature trapping method using dry ice/diethyl ether and liquid nitrogen bath was recommended for the sampling process for GC/PID and GC/MS analysis.

Kong, Suk Bin↗
DOE OSTI2024

Harvest Initiated Volatile Organic Compound Emissions from In-Field Tall Wheatgrass

While crop and grassland usage continues to increase, the full diversity of plant-specific volatile organic compounds (VOCs) emitted from these ecosystems, including their implications for atmospheric chemistry and carbon cycling, remains poorly understood. It is particularly important to investigate VOCs in the context of potential biofuels: aside from the implications of largescale land use, harvest may shift both the flux and speciation of emitted VOCs. To this point, we evaluate the diversity of VOCs emitted both pre and postharvest from “Alkar” tall wheatgrass (Thinopyrum ponticum), a candidate biofuel that exhibits greater tolerance to frost and saline land compared to other grass varieties. Mature plants grown under field conditions (n = 6) were sampled for VOCs both pre- and postharvest (October 2022). Via hierarchical clustering of emitted VOCs from each plant, we observe distinct “volatilomes” (diversity of VOCs) specific to the pre- and postharvest conditions despite plant-to-plant variability. In total, 50 VOCs were found to be unique to the postharvest tall wheatgrass volatilome, and these unique VOCs constituted a significant portion (26%) of total postharvest signal. While green leaf volatiles (GLVs) dominate the speciation of postharvest emissions (e.g., 54% of unique postharvest VOC signal was due to 1-penten-3-ol), we demonstrate novel postharvest VOCs from tall wheatgrass that are under characterized in the context of carbon cycling and atmospheric chemistry (e.g., 3-octanone). Continuing evaluations will quantitatively investigate tall wheatgrass VOC fluxes, better informing the feasibility and environmental impact of tall wheatgrass as a biofuel.

09 BIOMASS FUELS↗
DOE OSTI2024

Gas-Phase Oxidation Mechanisms of Nitrogen-Containing Organic Compounds

Nitrogen-containing organic molecules play essential roles in nearly every aspect of chemistry. The importance of these species within gas-phase chemistry has increased in recent years, due to their emissions from wildfires, crude biofuels, ammonia combustion, and CO 2 capture facilities. However, there is a lack of detailed relevant mechanistic and kinetic studies of N-compounds, resulting in poor representation of these pathways within chemical models. In this report, we detail our exploration of the gas-phase oxidation mechanisms of pyrrole, imidazole, pyrrolidine, methylamine, and dimethylamine, done by employing multiplexed VUV photoionization mass spectrometry coupled with KinBot, a computational tool that automatically explores multi-well potential energy surfaces. Overall, we vastly expanded the known gas-phase oxidation mechanisms and chemical kinetics of these species. This work will improve the accuracy and completeness of atmospheric and combustion chemistry models, ultimately leading to better-informed decision-makers in the energy and environmental sectors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2001

Sugar-Related Organic Compounds in Carbonaceous Meteorites

Sugars and related polyols are critical components of all organisms and may have been necessary for the origin of life. To date, this class of organic compounds had not been definitively identified in meteorites. This study was undertaken to determine if polyols were present in the early Solar System as constituents of carbonaceous meteorites. Results of analyses of the Murchison and Murray meteorites indicate that formaldehyde and sugar chemistry may be responsible for the presence of a variety of polyols. We conclude that polyols were present on the early Earth through delivery by asteroids and possibly comets.

Cooper, G.↗
NASA NTRS2014

The Search for Organic Compounds of Martian Origin in Gale Crater by the Sample Analysis at Mars (SAM) Instrument on Curiosity

One of the key objectives of the Mars Science Laboratory rover and the Sample Analysis at Mars (SAM) instrument suite is to determine the inventory of organic and inorganic volatiles in the atmosphere and surface regolith and rocks to help assess the habitability potential of Gale Crater. The SAM instrument on the Curiosity rover can detect volatile organic compounds thermally evolved from solid samples using a combination of evolved gas analysis (EGA) and gas chromatography mass spectrometry (GCMS) (Mahaffy et al. 2012). The first solid samples analyzed by SAM, a scoop of windblown dust and sand at Rocknest, revealed several chloromethanes and a C4-chlorinated hydrocarbon derived primarily from reactions between a martian oxychlorine phase (e.g. perchlorate) and terrestrial carbon from N-methyl-N-(tertbutyldimethylsilyl)- trifluoroacetamide (MTBSTFA) vapor present in the SAM instrument background (Glavin et al. 2013). After the analyses at Rocknest, Curiosity traveled to Yellowknife Bay and drilled two separate holes in a fluvio-lacustrine sediment (the Sheepbed unit) designated John Klein and Cumberland. Analyses of the drilled materials by both SAM and the CheMin X-Ray Diffraction instrument revealed a mudstone consisting of ~20 wt% smectite clays (Ming et al. 2013; Vaniman et al. 2013), which on Earth are known to aid the concentration and preservation of organic matter. Oxychlorine compounds were also detected in the Sheepbed mudstone during pyrolysis; however, in contrast to Rocknest, much higher levels of chloromethanes were released from the Sheepbed materials, suggesting an additional, possibly martian source of organic carbon (Ming et al. 2013). In addition, elevated abundances of chlorobenzene and a more diverse suite of chlorinated alkanes including dichloropropane and dichlorobutane detected in Cumberland compared to Rocknest suggest that martian or meteoritic organic carbon sources may be preserved in the mudstone (Freissinet et al. 2013). Chloromethane and dichloromethane were also identified after thermal volatilization of the surface soils by the GCMS instruments at the Viking landing sites, although no other chlorinated hydrocarbons were reported (Biemann et al. 1977). Here we focus on the origin of the chlorinated hydrocarbons detected in the Sheepbed mudstone by SAM and the implications for the preservation of organic matter in near-surface materials on Mars.

Mars Curiosity Rover↗
DOE OSTI2026

Henry’s Solubility and Diffusion Coefficients for 29 Volatile Organic Compounds in Polydimethylsiloxane Sylgard 184 at 293 K

Two-dimensional (2D) inverse gas chromatography (IGC) enables simultaneous determination of Henry’s solubility and Fickian diffusion coefficients for volatile organic compounds (VOCs) in polymer films. This technique offers a significant advantage over traditional cylindrical column IGC by providing precise control and measurement of the film thickness (here, 0.064 ± 0.002 mm), which is the critical length scale for accurate diffusivity determination. We apply this methodology to characterize VOC transport in Sylgard 184, a widely used polydimethylsiloxane (PDMS)-based polymer containing substantial silica filler content. At room temperature (20 °C), we measured solubility and diffusion coefficients for 29 common VOCs spanning diverse chemical functionalities, including alkanes, aromatics, chlorinated solvents, ketones, esters, and alcohols. Comparison with literature data for pure PDMS reveals that VOC solubility in Sylgard 184 is generally higher; for most non-hydrogen-bonding compounds it remains within a factor of 2 of pure PDMS, whereas alcohols are enhanced by roughly 1.8 to 3.7 times, which we attribute to favorable interactions with residual silanol groups on the silanized silica filler. Diffusion coefficients range from 1.0 × 10 –6 cm 2 /s (n-undecane) to 8.9 × 10–5 cm 2 /s (acetonitrile) and align well with extrapolated literature values for PDMS. This study provides essential thermodynamic and transport data for predicting VOC permeation in Sylgard 184 while demonstrating the utility of 2D IGC as a robust technique for characterizing rubbery polymer membranes across diverse industrial applications.

organic↗