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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Computational and Experimental Study for the Denitrification of Biomass-Derived Hydrothermal Liquefaction Oil

Hydrothermal liquefaction (HTL) is a promising method for processing wet biomass and waste feedstock to produce biofuels. During the HTL process, proteins and other biomolecules in certain feedstock get converted into nitrogenous compounds in produced biocrude, which represents a major challenge to further upgrading them into fuels. One promising approach is to separate nitrogenous compounds from the biocrude using polymeric resins. In this study, experiments were conducted to down-select sorbent and resin systems using a nitrogen-compound-containing surrogate biocrude. We model the binding interactions between an Amberlyst polymeric resin with various compounds present in the biocrude mixture such as nitrogenous compounds like pyrrole, pyridine, hexanamide, and representative co-existing compounds like phenol and dodecanoic acid. To ascertain the efficiency of various resins in the denitrogenation process, we have developed a quantitative structure–function model for the interacting components in the mixture. Our results suggest that the Amberlyst resin is a viable candidate for efficient removal of target nitrogen-containing compounds (such as pyridine) from the biocrude as a result of favorable interactions. The computational studies provide some insight into how and why the identified resin (Amberlyst) works in selective extraction of nitrogenous compound(s).

09 BIOMASS FUELS↗
DOE OSTI2022

Techno-economic Analysis and Life-Cycle Analysis of Renewable Diesel Fuels Produced with Waste Feedstocks

Wet waste feedstocks represent an important category of resources that could be utilized to produce biofuels. Diversion of the wet waste resources from going through conventional waste management practices to utilization as feedstocks for energy production also benefits from avoided cost and pollutant emissions of waste management and disposal. This study investigates the economic and environmental implications of producing bio-blendstocks for mixing controlled compression ignition (MCCI) engines from two waste-to-fuel pathways: hydroprocessed esters and fatty acids (HEFA) from yellow grease, and swine manure hydrothermal liquefaction (HTL) followed by biocrude upgrading. Detailed process models were developed for both pathways, which informed the techno-economic analysis (TEA) and life-cycle analysis (LCA). Conventional swine manure management practice was also modeled in detail as the business-as-usual (BAU) scenario for the swine manure HTL pathway. The estimated minimum fuel selling prices (MFSP) were $4.47/gasoline gallon equivalent (GGE) and $3.57/GGE for the yellow grease to HEFA and swine manure HTL pathways, respectively. The life-cycle greenhouse gas (GHG) emissions of the two pathways were 11.2 and -33.3 g CO2e/MJ, respectively, for the yellow grease to HEFA and swine manure HTL pathways. The credits of avoided emissions from conventional swine manure management were the main reason for the negative GHG emissions of the swine manure HTL pathway. The marginal GHG emissions abatement costs were estimated to be $100 – $253/tonne CO2e and $5 – $103/tonne CO2e for the yellow grease HEFA and swine manure HTL pathways, respectively, for a diesel price ranging between $2.0/GGE and $3.5/GGE. Since the yellow grease HEFA pathway is already commercialized, it can benefit from the $200/tonne carbon credit in the California Low Carbon Fuel Standard (LCFS) market, which could help the yellow grease HEFA pathway to achieve near-zero marginal GHG emissions abatement cost.

renewable diesel, techno economic analysis, life c↗
DOE OSTI2025

Structure refinement and anisotropic atomic displacement parameters of 1M Illite: Rietveld and pair distribution function analysis using synchrotron X-ray radiation

Illite, a widespread clay mineral, plays a pivotal role in geological processes, notably as an indicator in diagenetic and hydrothermal alteration environments, and possesses significant industrial relevance in applications including ceramics, construction and catalysis. However, challenges including its nanoscale crystallinity, structural disorder and frequent interstratification with other clay minerals have hindered detailed structural characterization using conventional X-ray diffraction (XRD) techniques. This study employs integrated synchrotron XRD and pair distribution function (PDF) analysis to elucidate the crystal structure of the 1M illite polytype, yielding the first determination of its anisotropic atomic displacement parameters (U aniso ). TheseU aniso parameters provide critical insights into atomic dynamics and static disorder within the structure, enabling a more refined understanding of structure–property relationships. This integrated approach, combining synchrotron XRD, Rietveld refinement and PDF analysis, yields a comprehensive structural characterization, capturing both average crystallographic and local atomic arrangements. Considering illite's widespread geological occurrence and industrial importance, this high-precision structural dataset, especially the determinedU aniso values, provides a crucial benchmark for future modeling and simulation efforts targeting accurate prediction of its physicochemical behavior.

Chemistry↗
NASA NTRS1974

Ion-absorption band analysis for the discrimination of iron-rich zones

The author has identified the following significant results. A technique which combines digital computer processing and color composition was devised for detecting hydrothermally altered areas and for discriminating among many rock types in an area in south-central Nevada. Subtle spectral reflectance differences among the rock types are enhanced by ratioing and contrast-stretching MSS radiance values for form ratio images which subsequently are displayed in color-ratio composites. Landform analysis of Nevada shows that linear features compiled without respect to length results in approximately 25 percent coincidence with mapped faults. About 80 percent of the major lineaments coincides with mapped faults, and substantial extension of locally mapped faults is commonly indicated. Seven major lineament systems appear to be old zones of crustal weakness which have provided preferred conduits for rising magma through periodic reactivation.

Rowan, L. C.↗
NASA NTRS1982

Anomalies within the system - Rochechouart target rock meteorite

Contaminated impact crater formations are pertinent to the study of meteoritic contamination at the Cretaceous-Tertiary boundary and other Ir-enriched layers. Target mixing considerations and volumetric estimates of Rochechouart breccias are presently combined with the geochemistry of both major and siderophile trace elements, to evaluate how the chemistry of the preserved target rock-projectile mixture evolved since deposition. Over 99 percent of the mass of extraterrestrial Ir and Os in preserved formations at Rochechouart is located in suevite-like breccias and impact melts. Hydrothermal alteration and/or weathering are the most likely processes to explain both major and trace element redistribution in Rochechouart formations.

Lambert, P.↗
NASA NTRS2003

Early Results from the Odyssey THEMIS Investigation

The Thermal Emission Imaging System (THEMIS) began studying the surface and atmosphere of Mars in February, 2002 using thermal infrared (IR) multi-spectral imaging between 6.5 and 15 m, and visible/near-IR images from 450 to 850 nm. The infrared observations continue a long series of spacecraft observations of Mars, including the Mariner 6/7 Infrared Spectrometer, the Mariner 9 Infrared Interferometer Spectrometer (IRIS), the Viking Infrared Thermal Mapper (IRTM) investigations, the Phobos Termoscan, and the Mars Global Surveyor Thermal Emission Spectrometer (MGS TES). The THEMIS investigation's specific objectives are to: (1) determine the mineralogy of localized deposits associated with hydrothermal or sub-aqueous environments, and to identify future landing sites likely to represent these environments; (2) search for thermal anomalies associated with active sub-surface hydrothermal systems; (3) study small-scale geologic processes and landing site characteristics using morphologic and thermophysical properties; (4) investigate polar cap processes at all seasons; and (5) provide a high spatial resolution link to the global hyperspectral mineral mapping from the TES investigation. THEMIS provides substantially higher spatial resolution IR multi-spectral images to complement TES hyperspectral (143-band) global mapping, and regional visible imaging at scales intermediate between the Viking and MGS cameras.

Christensen, Philip R.↗
NASA NTRS2000

Thermodynamics of Aqueous Organic Sulfur Compounds: A Key to the Organic Geochemistry of Hydrothermal Systems?

Hydrothermal environments are locations of varied geochemistry due to the disequilibrium between vent fluids and seawater. The disequilibrium geochemistry has been hypothesized to include reactions to synthesize organic compounds. Observations of the organic geochemistry of hydrothermal vent sites has received little attention. Experimental simulations of these environments, however, indicate that organic compounds may have difficulty forming in a purely aqueous environment. On the other hand, thiols. thioesters and disulfides have been implicated as reaction intermediates between CO or CO2 in experiments of carbon reduction in hydrothermal environments as well as in a variety of biological processes and other abiotic reactions (Wachtershauser, 1990, OLEB 20, 173; Heinen and Lauwers, 1996, OLEB 26, 13 1, Huber and Wachtershauser, 1997, Science 276, 245; Russell et al., 1998, in Thermophiles: The keys to molecular evolution and the origin of life?). The reduction of CO2 to thiols, for example, is observed using the FeS-H2S/FeS2 couple to provide the reducing power (see Schoonen et al., 1999, OLEB 29, 5). In addition, the enzyme involved in final stage of methanogenesis, coenzyme-M, is itself a thiol. Thus, organic sulfur compounds may hold the key to the organic chemistry leading to the origin of life at high temperatures. Understanding the biochemical processes of microorganisms that can live to temperatures at least as high as 113 C (Blochl et al., 1996, Extremophiles 1, 14) requires knowledge of the properties of the chemical reactions involved. In order to assess the role of aqueous organic sulfur compounds in hydrothermal organic geochemistry, we have been attempting to determine their thermodynamic properties. We have culled the literature to obtain the properties of organic sulfur compounds. We are able to calculate a number of essential properties, such as free energies of formation, from solubility data available in the literature together with standard properties of organic sulfur gases. However, a number of the properties for aqueous organic sulfur compounds have not been experimentally determined. Furthermore, most of thermodynamic data that are available are for 25 C and 1 bar. In order to determine reaction properties to temperatures and pressures appropriate to the hydrothermal conditions in which thermophilic organisms actually live, we use equations of state developed by Helgeson and co-workers (Helgeson et al., 1981, AJS 281, 1249). A key piece of information needed to go up in temperature is the partial molal heat capacity, which is one of the properties for which experimental data are unavailable for nearly all organic sulfur compounds. We have used correlation methods to determine the partial molal heat capacities and volumes of many organic solutes. These estimates allow us to asses the role of organic sulfur compounds during the reduction of carbon in hydrothermal settings. We will present these data, along with examples of the thermodynamic properties of reactions involving aqueous organic sulfur compounds.

Schulte, Mitchell↗
DOE OSTI2024

Data for Pilot-Scale Processing of Miscanthus x giganteus for Recovery of Anthocyanins Integrated with Production of Microbial Lipids and Lignin-Rich Residue

Chemical-free hydrothermal pretreatment of Miscanthus x giganteus (Mxg) at the lab scale using high liquid-to-solid ratios resulted in the recovery of anthocyanins and enhanced enzymatic digestibility of residual biomass. In this study, the process is scaled up by using a continuous hydrothermal pretreatment reactor operated at a low liquid-to-solid ratio (50 % w/w solids) as an important step towards commercialization. Anthocyanin yield was 70 % w/w at the pilot scale (50 kg of Mxg), compared to the 94 % w/w yield achieved at the lab scale (0.5 g of Mxg). The pretreated biomass was subsequently refined mechanically using a disc mill to increase the accessibility of cellulose by cellulases. Enzymatic saccharification of the pretreated and disc-milled residue yielded 238 g/L sugar concentration by operating in fed-batch mode at 50 % w/v solids content. Two strains of Rhodosporidium toruloides were evaluated for converting the hydrolysate sugars into microbial lipids, and strain Y-6987 had the highest lipid titer (11.0 g/L). Further, the residue left after enzymatic saccharification was determined to be enriched 1.7-fold in the lignin content. This lignin-rich residue has value as a feedstock for the production of sustainable aviation fuel precursors and other high-value lignin-based chemicals. Hence the proposed biorefinery based on Mxg creates an opportunity for generating revenue from multiple high-value products. As the demand for biofuels and biobased products is rising, the biorefinery products from Mxg would create a niche in the industrial sector.

Conversion↗
NASA NTRS1995

Geochemical constraints on chemolithoautotrophic reactions in hydrothermal systems

Thermodynamic calculations provide the means to quantify the chemical disequilibrium inherent in the mixing of reduced hydrothermal fluids with seawater. The chemical energy available for metabolic processes in these environments can be evaluated by taking into account the pressure and temperature dependence of the apparent standard Gibbs free energies of reactions in the S-H2-H2O system together with geochemical constraints on pH, activities of aqueous sulfur species and fugacities of H2 and/or O2. Using present-day mixing of hydrothermal fluids and seawater as a starting point, it is shown that each mole of H2S entering seawater from hydrothermal fluids represents about 200,000 calories of chemical energy for metabolic systems able to catalyze H2S oxidation. Extrapolating to the early Earth, which was likely to have had an atmosphere more reduced than at present, shows that this chemical energy may have been a factor of two or so less. Nevertheless, mixing of hydrothermal fluids with seawater would have been an abundant source of chemical energy, and an inevitable consequence of the presence of an ocean on an initially hot Earth. The amount of energy available was more than enough for organic synthesis from CO2 or CO, and/or polymer formation, indicating that the vicinity of hydrothermal systems at the sea floor was an ideal location for the emergence of the first chemolithoautotrophic metabolic systems.

Shock, Everett L.↗
NASA NTRS2016

Differentiating Hydrothermal, Pedogenic, and Glacial Weathering in a Cold Volcanic Mars-Analog Environment

Although the current cold, dry environment of Mars extends back through much of its history, its earliest periods experienced significant water- related surface activity. Both geomorphic features (e.g., paleolakes, deltas, and river valleys) and hydrous mineral detections (e.g., clays and salts) have historically been interpreted to imply a "warm and wet" early Mars climate. More recently, atmospheric modeling studies have struggled to produce early climate conditions with temperatures above 0degC, leading some studies to propose a "cold and icy" early Mars dominated by widespread glaciation with transient melting. However, the alteration mineralogy produced in subglacial environments is not well understood, so the extent to which cold climate glacial weathering can produce the diverse alteration mineralogy observed on Mars is unknown. This summer, we will be conducting a field campaign in a glacial weathering environment in the Cascade Range, OR in order to determine the types of minerals that these environments produce. However, we must first disentangle the effects of glacial weathering from other significant alteration processes. Here we attempt a first understanding of glacial weathering by differentiating rocks and sediments weathered by hydrothermal, pedogenic, and glacial weathering processes in the Cascades volcanic range.

Scudder, N. A.↗
DOE OSTI2025

U redox state tracked in mineralized hydrothermal carbonate with implications for U-Pb geochronology

U-Pb carbonate geochronology can directly constrain the timing and rates of important geological processes. However, the mechanisms and controls on U incorporation, distribution, and retention in carbonate minerals remain unclear, limiting geological interpretations. Here X-ray absorption spectroscopy (µXAS) and in-situ U-Pb carbonate geochronology are combined to temporally track U distribution and redox state in a porphyry-epithermal system. In this setting, multiple generations of carbonate minerals record fluid conditions and processes which control the solubility and deposition of metals, including U. This novel approach provides the first evidence of both oxidized UO 2 2+ and reduced U 4+ species in temporally distinct generations of carbonate within a single sample. Preservation of two different U oxidation states during discrete precipitation events requires U retentivity within older domains, demonstrating that the U-Pb carbonate geochronometer is robust under hydrothermal conditions. Furthermore, crystal zones with abundant fluid/vapour inclusions linked to boiling processes coincide with relatively high levels of U and favourable U/Pb. Targeting carbonate domains with these textures may therefore increase success in U-Pb geochronology. U-Pb carbonate dating combined with µXAS can track the temporal evolution of processes critical for metal deposition in long-lived and multistage hydrothermal-magmatic ore deposit settings.

58 GEOSCIENCES↗
DOE OSTI2024

Sustainable strategies to achieve industrial ethanol titers from different bioenergy feedstocks: scale-up approach for better ethanol yield

Hydrothermal pretreatment is a promising approach to lignocellulosic biomass processing for enzymatic hydrolysis and high-yield bioethanol fermentation, as it reduces downstream inhibitor content and the amount of toxic byproducts generated. In this paper, the ethanol yield and productivity of an engineered xylose-fermenting strain of Saccharomyces cerevisiae were tested on lignocellulosic hydrolysates produced with varying citrate buffer concentration, solid loading, supplemental nitrogen source, and feedstock of origin, and a semi-integrated bioprocess which integrates enzymatic hydrolysis and bioethanol fermentation was developed. The greatest ethanol yields (g p /g s ) of 0.490 ± 0.008, 0.460 ± 0.001, 0.420 ± 0.002 and 0.410 ± 0.002 were obtained from bioenergy sorghum (BES), Miscanthus × giganteus (MG), energy cane (EC), and oilcane (OC), respectively. In addition, an equivalent of 291 L, 253.54 L, 257.8 L, and 260.3 L of bioethanol were produced per ton of BES, MG, EC, and OC, respectively, by using urea as a nitrogen source in a bioreactor.

09 BIOMASS FUELS↗
NASA NTRS2020

Evidence for Multiple Diagenetic Episodes in Ancient Fluvial‐Lacustrine Sedimentary Rocks in Gale Crater, Mars

The Curiosity rover's exploration of rocks and soils in Gale crater has provided diverse geochemical and mineralogical data sets, underscoring the complex geological history of the region. We report the crystalline, clay mineral, and amorphous phase distributions of four Gale crater rocks from an 80‐m stratigraphic interval. The mineralogy of the four samples is strongly influenced by aqueous alteration processes, including variations in water chemistries, redox, pH, and temperature. Localized hydrothermal events are evidenced by gray hematite and maturation of amorphous SiO 2 to opal‐CT. Low‐temperature diagenetic events are associated with fluctuating lake levels, evaporative events, and ground water infiltration. Among all mudstones analyzed in Gale crater, the diversity in diagenetic processes is primarily captured by the mineralogy and X‐ray amorphous chemistry of the drilled rocks. Variations indicate a transition from magnetite to hematite and an increase in matrix‐associated sulfates suggesting intensifying influence from oxic, diagenetic fluids up section. Furthermore, diagenetic fluid pathways are shown to be strongly affected by unconformities and sedimentary transitions, as evidenced by the intensity of alteration inferred from the mineralogy of sediments sampled adjacent to stratigraphic contacts.

C N Achilles↗
DOE OSTI2023

Tolerance of engineered Rhodosporidium toruloides to sorghum hydrolysates during batch and fed-batch lipid production

Abstract Background Oleaginous yeasts are a promising candidate for the sustainable conversion of lignocellulosic feedstocks into fuels and chemicals, but their growth on these substrates can be inhibited as a result of upstream pretreatment and enzymatic hydrolysis conditions. Previous studies indicate a high citrate buffer concentration during hydrolysis inhibits downstream cell growth and ethanol fermentation in Saccharomyces cerevisiae . In this study, an engineered Rhodosporidium toruloides strain with enhanced lipid accumulation was grown on sorghum hydrolysate with high and low citrate buffer concentrations. Results Both hydrolysis conditions resulted in similar sugar recovery rates and concentrations. No significant differences in cell growth, sugar utilization rates, or lipid production rates were observed between the two citrate buffer conditions during batch fermentation of R. toruloides . Under fed-batch growth on low-citrate hydrolysate a lipid titer of 16.7 g/L was obtained. Conclusions Citrate buffer was not found to inhibit growth or lipid production in this engineered R. toruloides strain, nor did reducing the citrate buffer concentration negatively affect sugar yields in the hydrolysate. As this process is scaled-up, $131 per ton of hydrothermally pretreated biomass can be saved by use of the lower citrate buffer concentration during enzymatic hydrolysis. Graphical Abstract

09 BIOMASS FUELS↗
DOE OSTI2023

Data for Tolerance of Engineered Rhodosporidium toruloides to Sorghum Hydrolysates During Batch and Fed-Batch Lipid Production

Oleaginous yeasts are a promising candidate for the sustainable conversion of lignocellulosic feedstocks into fuels and chemicals, but their growth on these substrates can be inhibited as a result of upstream pretreatment and enzymatic hydrolysis conditions. Previous studies indicate a high citrate buffer concentration during hydrolysis inhibits downstream cell growth and ethanol fermentation in Saccharomyces cerevisiae . In this study, an engineered Rhodosporidium toruloides strain with enhanced lipid accumulation was grown on sorghum hydrolysate with high and low citrate buffer concentrations. Both hydrolysis conditions resulted in similar sugar recovery rates and concentrations. No significant differences in cell growth, sugar utilization rates, or lipid production rates were observed between the two citrate buffer conditions during batch fermentation of R. toruloides . Under fed-batch growth on low-citrate hydrolysate a lipid titer of 16.7 g/L was obtained. Citrate buffer was not found to inhibit growth or lipid production in this engineered R. toruloides strain, nor did reducing the citrate buffer concentration negatively affect sugar yields in the hydrolysate. As this process is scaled-up, $131 per ton of hydrothermally pretreated biomass can be saved by use of the lower citrate buffer concentration during enzymatic hydrolysis.

Conversion↗
DOE OSTI2022

The importance of freeze–thaw cycles for lateral tracer transport in ice-wedge polygons

Abstract. A significant portion of the Arctic coastal plain is classified as polygonal tundra and plays a vital role in soil carbon cycling. Recent research suggests that lateral transport of dissolved carbon could exceed vertical carbon releases to the atmosphere. However, the details of lateral subsurface flow in polygonal tundra have not been well studied. We incorporated a subsurface transport process into an existing state-of-the-art hydrothermal model. The model captures the physical effects of freeze–thaw cycles on lateral flow in polygonal tundra. The new modeling capability enables non-reactive tracer movement within subsurface. We utilized this new capability to investigate the impact of freeze–thaw cycles on lateral flow in the polygonal tundra. Our study indicates the important role of freeze–thaw cycles and the freeze-up effect in lateral tracer transport, suggesting that dissolved species could be transported from the middle of the polygon to the sides within a couple of thaw seasons. Introducing lateral carbon transport into the climate models could substantially reduce the uncertainty associated with the impact of thawing permafrost.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1980

Evaluation of multispectral middle infrared aircraft images for lithologic mapping in the East Tintic Mountains, Utah

Six channels of multispectral middle infrared (8 to 14 micron) aircraft scanner data were acquired over the East Tintic mining district, Utah. This area has high relief and moderate vegetation and consists mainly of Tertiary silicic igneous rocks and Paleozoic quartzite and carbonate rocks that have been locally hydrothermally altered. These digital-image data were computer processed to create a color-composite image based on principal component transformations. Color differences in this image are related to the spectral differences in the surface material and allow discrimination of several rock types, depending primarily on their silica content. When combined with a visible and near infrared color-composite image from a previous flight, with limited field checking, it is possible to discriminate quartzite, carbonate rocks, quartz latitic and quartz monzonitic rocks, latitic and monzonitic rocks, silicified altered rocks, argillized altered rocks, and vegetation.

Kahle, A. B.↗