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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Large-Volume Injection and Assessment of Reference Standards for n -Alkane δD and δ 13 C Analysis via Gas Chromatography Isotope Ratio Mass Spectrometry

Compound-specific stable isotope analysis of hydrogen (δD) and carbon (δ 13 C) in organic compounds is a valuable tool in biogeochemical research. A key limitation of this method is the relatively large amount of sample required to achieve desirable precision. We developed a large-volume (20 μL) injection method that allows for high throughput analysis of less concentrated samples and tested it for δ 13 C and δD measurements of n-alkanes. We also conducted a comparison of reference standards and assessed several methods to normalize and correct n-alkane δD and δ13C measurements. The mean precision of the δD method based on 233 environmental n-alkane samples (two to three replications per sample) is 4.0‰ (1σ, estimated from the weighted mean of the pooled unbiased standard deviations) and 0.46‰ (1σ) for δ 13 C from 37 environmental samples (two to three replications per sample). The evaluation of reference standards shows that the use of n-alkane standards with large offsets in δD values in adjacent n-alkane chains can lead to biases in measurement correction. The large-volume injection method shows good reproducibility of δ 13 C and δD measurements of n-alkanes and reduces the required sample concentration by about 80%. We propose that for δD measurements, a reference standard set should be used in which each reference standard has a limited range of δD values and no adjacent n-alkane chains, to minimize memory effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2011

Field Characterization of the Mineralogy and Organic Chemistry of Carbonates from the 2010 Arctic Mars Analog Svalbard Expedition by Evolved Gas Analysis

The 2010 Arctic Mars Analog Svalbard Expedition (AMASE) investigated two geologic settings using methodologies and techniques being developed or considered for future Mars missions, such as the Mars Science Laboratory (MSL), ExoMars, and Mars Sample Return. The Sample Analysis at Mars (SAM) [1] instrument suite, which will be on MSL, consists of a quadrupole mass spectrometer (QMS), a gas chromatograph (GC), and a tunable laser mass spectrometer (TLS); all will be applied to analyze gases created by pyrolysis of samples. During AMASE, a Hiden Evolved Gas Analysis-Mass Spectrometer (EGA-MS) system represented the EGA-MS capability of SAM. Another MSL instrument, CheMin, will use x-ray diffraction (XRD) and x-ray fluorescence (XRF) to perform quantitative mineralogical characterization of samples [e.g., 2]. Field-portable versions of CheMin were used during AMASE. AMASE 2010 focused on two sites that represented biotic and abiotic analogs. The abiotic site was the basaltic Sigurdfjell vent complex, which contains Mars-analog carbonate cements including carbonate globules which are excellent analogs for the globules in the ALH84001 martian meteorite [e.g., 3, 4]. The biotic site was the Knorringfjell fossil methane seep, which featured carbonates precipitated in a methane-supported chemosynthetic community [5]. This contribution focuses on EGA-MS analyses of samples from each site, with mineralogy comparisons to CheMin team results. The results give insight into organic content and organic-mineral associations, as well as some constraints on the minerals present.

McAdam, A. C.↗
NASA NTRS1984

Carbon monoxide in the earth's atmosphere - Increasing trend

The results of an analysis of more than 60,000 atmospheric measurements of carbon monoxide taken over 3-1/2 years at Cape Meares, Oregon (45 deg N, 125 deg W), indicate that the background concentration of this gas is increasing. The rate of increase, although uncertain, is about 6 percent per year on average. Human activities are the likely cause of a substantial portion of this observed increase; however, because of the short atmospheric lifetime of carbon monoxide and the relatively few years of observations, fluctuations of sources and sinks related to the natural variability of climate may have affected the observed trend. Increased carbon monoxide may deplete tropospheric hydroxyl radicals, slowing down the removal of dozens of man-made and anthropogenic trace gases and thus indirectly affecting the earth's climate and possibly the stratospheric ozone layer.

Khalil, M. A. K.↗
DOE OSTI2020

Modeling, analysis, and code/data validation of DIII-D tokamak divertor experiments on ELM and non-ELM plasma tungsten sputtering erosion

Abstract We analyzed recent DIII-D tokamak tungsten divertor probe experiments using advanced, coupled, sputter erosion/redeposition, plasma, and surface response code packages. Modeling is done for ELMing H-mode, and L-mode plasmas, impinging on various size tungsten deposits on Divertor Material Evaluation System (DiMES) carbon probes. The simulations compute 3D, full kinetic, sub-gyromotion, impurity sputtering and transport, including changes in tungsten surface composition and response due to mixed deuterium and carbon ions irradiation. Per our analysis, ELM (edge localized mode) plasma sputtering in DIII-D mostly involves free-streaming high energy (∼500–1000 eV) D + and C +6 ions, with high near-surface plasma density. L-Mode sputtering is due to impurity sputtering (C, W) only, with lower density. All cases show complete redeposition of tungsten on the divertor, with significant redeposition on the tungsten spots themselves, and low self-sputtering. Comparison of ELM plasma gross tungsten erosion simulation results with in-situ spectroscopic data is good, as are code/data comparisons of net erosion using post-exposure Rutherford backscattering (RBS) data for the L-mode probes. The analysis, extrapolated to a full tungsten divertor, implies low net erosion and negligible plasma contamination from sputtering. These results support the use of high-Z plasma facing surfaces in ITER and beyond.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Active site design enables industrial scale H 2 O 2 electrosynthesis with metal-free catalysts

The electrosynthesis of hydrogen peroxide (H 2 O 2 ) via a two-electron oxygen reduction reaction enables decentralized H 2 O 2 production. While metal-free carbon catalysts are sustainable and low-cost, their performance is hindered by poorly defined active sites and uncontrolled defect states. Here, we resolve these challenges through active site design and catalyst screening using fluorine (F) and nitrogen (N) codoped carbons as model materials. Statistical analysis combined with density functional theoretical calculations reveals that F-induced structural modification and defect passivation optimize OOH* binding, with F-doping and adjacent F atoms predominantly lowering abs ΔG(OOH*). Experimental results confirm that semi-ionic C–F bonds passivate defects in nitrogen-doped carbon, enhancing catalytic activity and durability. The resulting (N, F)-codoped carbon achieves nearly 100% H 2 O 2 selectivity at 0.5–0.65 V versus the reversible hydrogen electrode and maintains > 95% across 0.01–0.65 V versus the reversible hydrogen electrode. In an electrolyzer, (N, F)-codoped carbon exhibits an H 2 O 2 yield rate of 74.35 mol g cat. −1 h -1 and sustains 300 mA cm -2 for 105 hours with ~95% faradaic efficiency. Coupling the two-electron oxygen reduction reaction with methanol oxidation further reduces cell voltage and enhances productivity. This work provides a means to design efficient catalysts for industrial H 2 O 2 electrosynthesis.

H2O2 electrosynthesis↗
DOE OSTI2023

Natural Gas Combined Cycle Carbon Capture Retrofit Database

This tool provides high-level analysis on the incremental costs for retrofitting natural gas combined cycle plants with carbon dioxide capture and/or compression systems. Options are available to include costs of other technological improvements that would be required to comply with various environmental regulations when installing carbon capture technology. This model is based on the NETL report "Cost and Performance of Retrofitting NGCC Units for Carbon Capture" (2023).

03 NATURAL GAS↗
DOE OSTI2025

Recyclable Thermoset Polymers From Lignin Derived Phenols

Spero Renewables has successfully developed bio-based thermoset polymers that can be decomposed and recycled under mild conditions while maintaining physical properties comparable to traditional BPA-based thermosets. Key accomplishments include the optimization of thermoset synthesis with over 50% bio-based content, the establishment of recycling conditions for both thermosets and carbon fiber-reinforced composites, and the demonstration of CFRC recyclability. The project also included a techno-economic analysis (TEA), which revealed significant cost reductions through carbon fiber recycling, and a lifecycle analysis (LCA), which showed that Spero's bio-based CFRCs could reduce greenhouse gas emissions by up to 74% compared to conventional fossil-based CFRCs. This work positions Spero Renewables at the forefront of sustainable thermoset and composite material technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Sustainability assessment of alternative jet fuel for the U.S. Department of Defense

The United States Department of Defense (DoD) is considering replacing the 2.8 billion gallons of petroleum jet fuel consumed within the continental United States (CONUS) annually with alternative jet fuels to reduce vulnerability to price and supply fluctuations and improve sustainability. We evaluate the feasibility of replacing DoD CONUS jet fuel with alternative jet fuel from domestic feedstocks and assess the cost, greenhouse gas (GHG) emissions, energy balance, land, water, and fertilizer impacts of nine alternative jet fuel pathways. The feedstocks include terrestrial crops (soy, corn, wood, and grass), marine microalgae, and by-products (forestry residue, municipal solid waste, and waste oil) converted by extraction, fermentation, or thermo-chemical conversion, paired with upgrading steps. We found that domestic biomass feedstocks can meet the DoD CONUS jet fuel demand without significantly affecting food supply. Alternative pathways cost more than petroleum jet fuel ($0.78 l -1 and emitting 89 g CO 2 equivalent (CO 2e ) MJ -1 ), but many lowered GHG emissions. The forestry residue and waste oil pathways yielded the lowest costs ($\$0.92$ and $\$0.82$ l -1 , respectively), decreased emissions (23 and 35 g CO 2 e MJ -1 , respectively), and had negligible effects on land, water, and fertilizer resources. Finally, tradeoffs among sustainability metrics are further explored with a sensitivity analysis and by evaluating carbon-cost scenarios.

09 BIOMASS FUELS↗
NASA NTRS2000

Quantitative Hydrocarbon Surface Analysis

The elimination of ozone depleting substances, such as carbon tetrachloride, has resulted in the use of new analytical techniques for cleanliness verification and contamination sampling. The last remaining application at Rocketdyne which required a replacement technique was the quantitative analysis of hydrocarbons by infrared spectrometry. This application, which previously utilized carbon tetrachloride, was successfully modified using the SOC-400, a compact portable FTIR manufactured by Surface Optics Corporation. This instrument can quantitatively measure and identify hydrocarbons from solvent flush of hardware as well as directly analyze the surface of metallic components without the use of ozone depleting chemicals. Several sampling accessories are utilized to perform analysis for various applications.

Douglas, Vonnie M.↗
DOE OSTI2022

Adapting isotopic tracer and metabolic flux analysis approaches to study C1 metabolism

Single-carbon (C1, or one-carbon) substrates are promising feedstocks for sustainable biofuel and biochemical production. Crucial to the goal of engineering C1-utilizing strains for improved production is a quantitative understanding of the organization, regulation and rates of the reactions that underpin C1 metabolism. 13 C Metabolic flux analysis (MFA) is a well-established platform for interrogating these questions with multi-carbon substrates, and uses the differential labeling of metabolites that results from feeding a substrate with position-specific incorporation of 13 C in order to infer quantitative fluxes and pathway topology. Furthermore, adapting isotopic tracer approaches to C1 metabolism, where position-specific substrate labeling is impossible, requires additional experimental considerations. Here we review recent studies that have developed isotopic tracer approaches to overcome the challenge of uniform metabolite labeling and provide quantitative insight into C1 metabolism.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Economic and environmental performance of biomass gasification for renewable natural gas production in the context of the U.S. natural gas supply

Bioenergy technologies offer potential for reducing greenhouse gas (GHG) emissions. One such promising technology is biomass gasification, which is the conversion of biomass into renewable natural gas (RNG) for use with a natural gas combined-cycle power generation system. However, the associated economic and emission effects need to be better understood to enable optimal decision-making and avoid missed opportunities for enhancing efficiency and increasing system circularity. This analysis explores opportunities to (1) decarbonize natural-gas-based systems and (2) leverage the extensive US natural gas infrastructure to mobilize biomass resources to achieve environmental and economic benefits. Here, in this analysis, the research team used a spatially explicit biomass logistics model (integrated with relevant biomass availability, technoeconomic analysis, and life cycle assessment information) to simulate economically optimal biomass allocation for RNG production and use for decarbonization in the United States. Results show that the United States has the potential to produce 9203 million GJ of RNG within the expected range of $\$$12–30/GJ. Further analyses tested the overall RNG production system's sensitivity to economic and emissions parameters of nine different processes. The sensitivity analysis results indicate that the median carbon abatement cost of RNG is most sensitive to changes in emissions associated with conversion processes and land use changes. These findings provide a deeper understanding of RNG's economic and emission potential for decision-making and guiding future research.

09 BIOMASS FUELS↗
NASA NTRS1983

Autothermal reforming of aliphatic and aromatic hydrocarbon liquids

Results are presented from a study of the autothermal reforming of paraffins and aromatics over nickel catalysts. The trials were performed to examine the carbon products that appear when steam is passed over hydrocarbon liquids to form H2-rich gases, i.e., the autothermal process (ATR). Attention was given to n-hexane, n-tetradecane, benzene, and benzene solutions of naphthalene with reactant preheat to 1000-1150 F. The carbon-formation limit was sought as a function of the steam-to-carbon and oxygen to carbon molar ratios at constant pressure and the preheat temperatures. The catalyst bed was examined after each trial to identify the locations and types of carbon formed using SEM, thermal gravimetric analysis, and X ray diffraction techniques. The hydrocarbon fuels each had a separate temperature and reaction profile, as well as carbon formation characteristics. No carbon formation was observed in the upper layer of the reactor bed, while both gas phase and surface-grown deposits were present in the lower part. The results are concluded of use in the study of No. 2 fuel oil for ATR feedstock.

Flytzani-Stephanopoulos, M.↗
DOE OSTI2023

A High-Quality Genome-Scale Model for Rhodococcus opacus Metabolism

Rhodococcus opacus is a bacterium that has a high tolerance to aromatic compounds and can produce significant amounts of triacylglycerol (TAG). Here, we present iGR1773, the first genome-scale model (GSM) of R. opacus PD630 metabolism based on its genomic sequence and associated data. The model includes 1773 genes, 3025 reactions, and 1956 metabolites, was developed in a reproducible manner using CarveMe, and was evaluated through Metabolic Model tests (MEMOTE). We combine the model with two Constraint-Based Reconstruction and Analysis (COBRA) methods that use transcriptomics data to predict growth rates and fluxes: E-Flux2 and SPOT (Simplified Pearson Correlation with Transcriptomic data). Growth rates are best predicted by E-Flux2. Flux profiles are more accurately predicted by E-Flux2 than flux balance analysis (FBA) and parsimonious FBA (pFBA), when compared to 44 central carbon fluxes measured by 13C-Metabolic Flux Analysis (13C-MFA). Under glucose-fed conditions, E-Flux2 presents an R2 value of 0.54, while predictions based on pFBA had an inferior R2 of 0.28. We attribute this improved performance to the extra activity information provided by the transcriptomics data. For phenol-fed metabolism, in which the substrate first enters the TCA cycle, E-Flux2’s flux predictions display a high R2 of 0.96 while pFBA showed an R2 of 0.93. We also show that glucose metabolism and phenol metabolism function with similar relative ATP maintenance costs. These findings demonstrate that iGR1773 can help the metabolic engineering community predict aromatic substrate utilization patterns and perform computational strain design.

Roell, Garrett W.↗
DOE OSTI2022

Metabolic activity and community structure of prokaryotes associated with particles in the twilight zone of the South China Sea

The twilight zone is an important depth of the ocean where particulate organic matter (POM) remineralization takes place, and prokaryotes contribute to more than 70% of the estimated remineralization. However, little is known about the microbial community and metabolic activity associated with different particles in the twilight zone. The composition and distribution of particle-attached prokaryotes in the twilight zone of the South China Sea (SCS) were investigated using high-throughput sequencing and quantitative PCR, together with the Biolog Ecoplate™ microplates culture to analyze the microbial metabolic activity. We found that α- and γ-Proteobacteria dominating at the lower and upper boundary of the twilight zone, respectively; Methanosarcinales and Halobacteriales of the Euyarchaeota occupied in the larger particles at the upper boundary. Similar microbial community existed between euphotic layer and the upper boundary. Higher amount of shared Operational Taxonomic Units (OTUs) in the larger particles along the water depths, might be due to the fast sinking and major contribution of carbon flux of the larger particles from the euphotic layer. In addition to polymers as the major carbon source, carbohydrates and amino acids were preferentially used by microbial community at the upper and lower boundary, respectively. This could potentially be attributed to the metabolic capabilities of attached microbial groups in different particles, and reflected the initial preference of the carbon source by the natural microbes in the twilight zone as well. The microbial structure and carbon metabolic profiles could be complemented with metatranscriptomic analysis in future studies to augment the understanding of the complex carbon cycling pathways in the twilight zone.

Liu, Hao↗
DOE OSTI2023

Eliminating the Derate of Carbon Capture Retrofits (Rev. 2)

This study presents updated cost and performance information on retrofitting pulverized coal (PC) power plants with post-combustion carbon capture based on an advanced solvent process, based on NETL's Fossil Energy Baseline, Revision 4A. Cases considered include those using a fully integrated capture system, a case that provides capture system steam via a natural gas boiler, and a case that provides combined heat and power via a natural gas simple cycle system. Comparison cases include both new build and retrofit analysis at 90% and 95% carbon capture.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2021

MOFLUX Intensified Soil Moisture Extremes Decrease Soil Organic Carbon Decomposition: Modeling Archive

This Modeling Archive is in support the publication “Intensified Soil Moisture Extremes Decrease Soil Organic Carbon Decomposition: A Mechanistic Modeling Analysis” (Liang et al., 2021). Here we provide model code, inputs, outputs and evaluation datasets for the Microbial ENzyme Decomposition (MEND) model for the Missouri Ozarks AmeriFlux eddy covariance measurement site (MOFLUX) near Ashland, Missouri USA. The MEND model was developed with explicit representation of microbial and enzyme pools to mechanistically simulate the role of microbial organisms and extracellular enzymes in soil organic carbon (SOC) decomposition. Long-term SOC dynamics under intensified moisture extremes are studied using the MEND model that is parameterized with 11 years of measurements from the MOFLUX forest. The model explicitly represents microbial dormancy and resuscitation, different types of SOC-degrading enzymes, and how they vary with changes in soil moisture (Wang et al. 2015, 2019). A combination of two levels of frequency and severity of soil moisture, as well as a control with normal interannual variability, are used to simulate a range of moisture scenarios over 100 years. The code of Microbial-ENzyme Decomposition (MEND) as well as the input and output data are included in the archive. A user’s manual (MEND_Readme.pdf) is included with instructions for compiling and running the model to simulate soil organic carbon decomposition under various moisture scenarios. This dataset contains the modelling archive contained within a compressed (*.zip) file, a file-level metadata file in comma separate (*.csv) format, and two instructional files in PDF (*.pdf) format.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2004

Spacecraft Cabin Atmospheric Major Constituent Monitoring Using Off-the-Shelf Techniques

Since the beginning of the crewed space exploration program, the National Aeronautics and Space Administration (NASA) recognized the need to monitor the composition of a spacecraft cabin atmosphere. Typically, major constituent monitoring has been limited to nitrogen, oxygen, carbon dioxide, and water vapor. For the International Space Station, mass spectroscopy was selected as the baseline technology for this task. Recently, new techniques for monitoring major atmospheric constituents have matured commercially making them viable for crewed spacecraft applications. These techniques have advantages over the mass spectroscopy and electrochemically-based instruments used on board the /SS and Shuttle. Fast laser diode oxygen analysis, solid-state infrared carbon dioxide detection, and thin-film capacitive humidity detection are among the emerging techniques. Representative instruments employing these techniques have been selected and tested to demonstrate their potential for crewed spacecraft applications. A summary of testing results is provided.

Perry, Jay L.↗