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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Regional Groundwater and Storms Are Hydrologic Controls on the Quality and Export of Dissolved Organic Matter in Two Tropical Rainforest Streams, Costa Rica

A paired-watershed approach was used to compare the quality and fluxes of dissolved organic matter (DOM) during stormflow and baseflow in two lowland tropical rainforest streams located in northeastern Costa Rica. The Arboleda stream received regional groundwater (RGW) flow, whereas the Taconazo stream did not. DOM quality was assessed with absorbance and fluorescence and stable carbon isotope (δ 13 C-DOC) values. RGW DOM lacked detectable fluorescence and had specific ultraviolet absorption (SUVA 254 ) and absorbance slope ratio (S R ) values consistent with low aromaticity and low molecular weight material, respectively. We attributed these properties to microbial degradation and sorption of humic DOM to mineral surfaces during transport through bedrock. SUVA 254 values were lower and SR values were higher in the Arboleda stream during baseflow compared to the Taconazo stream, presumably due to dilution by RGW. However, no significant difference in SUVA 254 or SR occurred between the streams during stormflow. SUVA254 was negatively correlated to δ13C-DOC (r 2 = 0.61, P < 0.001), demonstrating a strong linkage between stream DOM characteristics and the relative amounts of RGW flow and local watershed runoff containing soil and throughfall C sources. Mean DOC export from the Taconazo stream during the study period was 2.62 ± 0.39 g C m -2 year -1 -2 year -1 , one of the highest exports reported and demonstrating a substantial impact of old RGW from outside the watershed boundary can have on surface water carbon cycling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

The Progress of Li-S Batteries-Understanding of the Sulfur Redox Mechanism: Dissolved Polysulfide Ions in the Electrolytes

Rechargeable lithium–sulfur batteries have aroused great attention in recent years. Thousands of research articles are published, and among these publications, the majority are dedicated to improving the battery's performance through chemically and physically modifying the sulfur electrode, electrolytes, separator, and lithium anode. However, the single most important aspect, understanding the sulfur redox mechanism, is sparse and overwhelmed by the huge volume of work done on improving the battery's performance. Besides the intrinsic complexity of the sulfur redox chemistry, the most challenging task is to find an effective analytical technique for the quantitative and qualitative determination of the dissolved and solid polysulfides, including elemental sulfur. In this paper, the recent important research aiming to understand the redox mechanism of the sulfur electrode is reviewed in light of the unique analytical techniques used in the research. The review re–affirms the complexity of the sulfur redox chemistry and lays the background for the future mechanistic research for Li–S batteries.

25 ENERGY STORAGE↗
DOE OSTI2014

Critical evaluation and modeling of algal harvesting using dissolved air flotation. DAF Algal Harvesting Modeling

In our study, Chlorella zofingiensis harvesting by dissolved air flotation (DAF) was critically evaluated with regard to algal concentration, culture conditions, type and dosage of coagulants, and recycle ratio. Harvesting efficiency increased with coagulant dosage and leveled off at 81%, 86%, 91%, and 87% when chitosan, Al 3+ , Fe 3+ , and cetyl trimethylammonium bromide (CTAB) were used at dosages of 70, 180, 250, and 500 mg g -1 , respectively. The DAF efficiency-coagulant dosage relationship changed with algal culture conditions. In evaluating the influence of the initial algal concentration and recycle ratio revealed that, under conditions typical for algal harvesting, we found that it is possible that the number of bubbles is insufficient. A DAF algal harvesting model was developed to explain this observation by introducing mass-based floc size distributions and a bubble limitation into the white water blanket model. Moreover, the model revealed the importance of coagulation to increase floc-bubble collision and attachment, and the preferential interaction of bubbles with larger flocs, which limited the availability of bubbles to the smaller sized flocs. The harvesting efficiencies predicted by the model agree reasonably with experimental data obtained at different Al 3+ dosages, algal concentrations, and recycle ratios. Based on this modeling, critical parameters for efficient algal harvesting were identified.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Seasonal drivers of dissolved oxygen across a tidal creek–marsh interface revealed by machine learning

Abstract Dissolved oxygen (DO) is a key biogeochemical control in coastal systems, and its concentration and drivers vary markedly through time and space. This makes it difficult to accurately represent coastal DO and associated biogeochemical processes in models, limiting our ability to predict how these systems will respond to global change. We obtained high‐frequency (5‐min) in situ measurements of DO collected at three locations across the interface of a tidal creek and coastal marsh in the Pacific Northwest, USA. Random Forest machine learning models quantified the importance of three categories of environmental drivers (Aquatic, Climatic, and Terrestrial) of DO variability across the creek–marsh interface. We selected two 4‐month datasets representing Summer and Winter seasonal periods to test two hypotheses on the dominant drivers of DO at the coastal interface. We found that the Terrestrial driver—characterized by long periods of anaerobic conditions and episodic pulses in DO after floods—was most important during the Winter, whereas the Aquatic driver—characterized by variability over tidal, diel, and lunar cycles—was most important during the Summer. We explored how future climate change scenarios could alter the drivers of DO variability using a cumulative sums driver–response framework. Our results suggest that under climate change, Aquatic and Climatic drivers may increase in importance during the Summer, potentially linked to changing metabolic regimes and sea level, with Terrestrial driver importance potentially increasing during the Winter. Our approach highlights useful methods for understanding the spatiotemporal complexity of oxygen across coastal interfaces and quantifying the relative importance of distinct environmental drivers.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Degassing fluxes in a temperate hydropower reservoir predictable by deep‐water dissolved oxygen but highly sensitive to discharge variability

Hydropower reservoirs contribute to methane (CH 4 ) and carbon dioxide (CO 2 ) emissions, like all aquatic ecosystems. Unique to hydropower reservoirs are degassing emissions that occur when deep-water intakes move water with high CH 4 and CO 2 concentrations through turbines, leading to the release of these gases. However, few studies from hydropower reservoirs have measured seasonal variability and drivers of degassing fluxes, especially in temperate systems. We measured monthly degassing emissions in temperate Douglas Reservoir (Tennessee, USA) from 2023 to 2024. We found that degassing fluxes were highest in the summertime, and deep-water CH 4 and CO 2 concentrations were predictable by deep-water dissolved oxygen (DO) concentrations. Degassing emissions accounted for 37–62% of annually estimated CH 4 emissions, outweighing ebullitive emissions during summer months. We highlight the value of using DO data to estimate deep-water CH 4 and CO 2 concentrations and degassing fluxes at higher temporal resolution to improve annualization and extrapolation of reservoir degassing emissions at broader scales.

Pilla, Rachel M. [Oak Ridge National Laboratory (O↗
DOE OSTI2020

An international laboratory comparison of dissolved organic matter composition by high resolution mass spectrometry: Are we getting the same answer?

Since the first detailed compositional analysis of dissolved organic matter (DOM) in 1995, high resolution mass spectrometry (HRMS) has become a vital tool for DOM characterization. While the upward trend in HRMS for molecular level analysis of DOM continues, so do the challenges of data comparison and interpretation between laboratories operating instruments of differing performance and user operating conditions. It is therefore essential that the community establishes whether data and trends can be compared robustly between research groups. To this end, 4 identically prepared DOM samples were each studied by 16 laboratories, representing 17 commercially-purchased instruments located across 8 countries, using positive- and negative-mode electrospray ionization (ESI) HRMS analysis. Despite the widely reported sensitivity of ESI experiments to sample matrix, preparation, ion source operation and instrument tuning parameters, the instruments used in this study showed relatively low variability between results for the same samples, particularly H/C and AI metrics. The variation in O/C and m/z metrics was relatively higher, although z-score graphs and %BCD demonstrated that the relative difference in general chemical composition between samples was the same for each instrument included in the study. As such, these metrics can be used for fingerprinting of DOM samples and as a benchmark for quality control in participating laboratories, with future strides in environmental science building upon these efforts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Pinhole‐Free Ultrathin Silicon Oxide Layer by Ozone‐Dissolved Deionized Water

The pinhole‐free silicon oxide (SiO x ) layer grown using dissolved ozone in deionized water (DI‐O 3 ) is demonstrated. An ultrathin SiO x layer of thickness 1.53 nm ± 1.5% is grown on silicon wafer using 7 ppm DI‐O 3 . A four‐step methodology, including 25 wt% aq. tetramethylammonium hydroxide (TMAH) solution at 80 °C, is employed to magnify the pinhole signatures in the underlying silicon and visualized with dark‐field optical microscopy (DFOM) and scanning electron microscopy (SEM). The DFOM images show spots on the surface of wafer that originate from airborne particles, contamination, etc. SEM images reveal the absence of etch pits in silicon even after etching of SiO x /silicon in TMAH for 300 s. The minority carrier lifetime and interface states density in AlO x ‐capped SiO x /Si structure are ≥2 ms at carrier density of 1 × 10 15 cm −3 and less than 2 × 10 11 cm −2 eV −1 , respectively.

42 ENGINEERING↗
DOE OSTI2021

Quantification of energy and cost reduction from decreasing dissolved oxygen levels in full‐scale water resource recovery facilities

Abstract Aeration systems often lack the efficiency to maintain a desired residual dissolved oxygen (DO) concentration in the tank in part because little consideration is given to the dynamic daily and seasonal loading conditions. Although advanced aeration controllers exist, the majority of plants have DO set points typically based on common practice and literature values rather than site‐specific conditions, which can result in DO set points higher than those necessary to meet treatment objectives. DO set point reduction strategies have primarily been proposed through either static or dynamic simulations. In this study, the substantial improvements associated with DO set point reduction are demonstrated at full scale. A yearlong characterization of full‐scale aeration dynamics captured the effect of diurnal and seasonal fluctuations on oxygen transfer and energy demand and so facilitated the estimation of the potential savings of DO reduction strategies. Full‐scale validation provided direct evidence of DO reduction strategies inducing an overall enhancement of oxygen transfer efficiency along the different bioreactors, while confirming that energy savings as high as 20% were feasible. This study quantifies the influence of oxygen transfer efficiency on operating choices and site‐specific conditions (control strategy, loading conditions, and influent flow variability). Practitioner points We quantified the energy reduction and cost savings associated with a DO reduction in an aeration tank. For each 0.2 mg/L of DO decreased, the average power demand reduction per unit water treated exceeded 17%. Field measurements of dynamic alpha values eliminate the uncertainty in estimating aeration energy and cost savings from DO variations.

Pasini, Federico↗
DOE OSTI2020

Dynamic changes in dissolved organic matter composition in a Mountain Lake under ice cover and relationships to changes in nutrient cycling and phytoplankton community composition

We studied Bear Lake, a sub-alpine oligotrophic lake in Rocky Mountain National Park, Colorado U.S.A, during the winter ice cover period of 2018. Our goal was to understand relationships between biogeochemical processes and the chemical quality of the dissolved organic matter, a major pool of organic carbon in all lakes. The lake exhibited a highly stratified environment with limited light availability, a consistent oxycline at 7 meters, and dilute hydrochemistry. Nutrient concentrations were low and depletion of nitrogen, particularly for NH4 to a lesser extent NO3, were related to increasing phytoplankton abundance. The deep chlorophyll maxima that developed above the oxycline was dominated by a potentially mixotrophic dinoflagellate. DOM chemical quality as measured through high-resolution mass spectrometry was related to these shifts in aquatic ecosystem structure. However, CDOM spectroscopy of the whole water was a poor indicator of biogeochemical changes in the DOM pool. The spectrometry data highlighted an evolving and contrasting reservoir of phosphorus, nitrogen, and sulfur-containing organic compounds sensitive to nutrient cycling and redox conditions. We also observed reduced chemodiversity between the surface and bottom water DOM molecular formulas over time. Homogeneity increased in the surface and more unique compounds were produced in the bottom waters, where an overall increase occurred in the favorability of carbon to support microbial respiration. Our results show dynamic chemical changes in the DOM pool reflect dynamic nutrient cycling under ice cover, potentially driven by mixotrophic growth of the dinoflagellate Gymnodinium sp.

Rue, Garrett↗
DOE OSTI2019

Mercury Complexation with Dissolved Organic Matter Released from Thirty-Six Types of Biochar

Previous studies show mercury (Hg) can be effectively removed from solution by biochar, but limited attention was paid on the complexation between Hg and components released from biochars, e.g. dissolved organic matter (DOM). Here, aqueous data from batch-style experiments were modeled using PHREEQC, incorporating thermodynamic constants between Hg and DOM, which was assumed to be composed of thiol, carboxylic, and phenolic functional groups. Modelling results suggest that > 99% Hg complexed with thiol groups in DOM. The modelled concentrations of Hg–DOM complexes from low-T (low-temperature, 300°C) biochars were greater than from high-T (600°C) biochars. The concentrations of Hg–DOM complexes were lower in wood-based than in agricultural residue- and manure-based biochars. Hg–DOM complexes may affect Hg speciation, bioavailability, transport, and methylation processes. This research describes a method to evaluate Hg–DOM interactions, and the results indicate extra caution regarding Hg–DOM complex formation is required in the selection of biochar for Hg remediation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Simulation of carbon cycling, including dissolved organic carbon transport, in forest soil locally enriched with 14C

The DyDOC model was used to simulate organic matter decomposition and dissolved organic matter (DOM) transport in deciduous forest soils at the Oak Ridge Reservation (ORR) in Tennessee, USA. The model application relied on extensive data from the Enriched Background Isotope study (EBIS), which made use of a local atmospheric enrichment of radiocarbon to establish a large-scale manipulation experiment with different inputs of 14C from both above-ground and below-ground litter. The aim of the modelling was to test if the processes that constitute DyDOC can explain the available observations for C dynamics in the ORR. More specifically we used the model to investigate the origins of DOM, its dynamics within the soil profile, and how it contributes to the formation of stable carbon in the mineral soil. The model was first configured to account for water transport through the soil, then observed pools and fluxes of carbon and 14C data were used to fit the model parameters that describe the rates of the metabolic transformations. The soils were described by a thin O-horizon, a 15 cm thick A-horizon and a 45-cm thick B-horizon. Within the thin O-horizon, litter is either converted to CO2 or to a second organic matter pool, which is converted to CO2 at a different rate, both pools being able to produce DOM. The best model performance was obtained by assuming that adsorption of downwardly transported DOM in horizons A and B, followed by further conversion to stable forms, produces mineral-associated carbon pools, while root litter is the source of non-mineral associated carbon, with relatively short residence times. In the simulated steady-state, most carbon entering the O-horizon leaves quickly as CO2, but 17% (46 gC m-2 a-1) is lost as DOC in percolating water. The DOM comprises mainly hydrophobic material, 40% being derived from litter and 60% from older organic matter pools (residence time ~ 10 years). Most of the DOM is converted to CO2 in the mineral soil, over timescales of 1 to 15 years, but there is a conversion of 11 gC m-2 a-1 into stabilised forms that turnover on a timescale of 100-200 years. The small flux of DOC leaving the B-horizon (1.2 gC m-2 a-1) is mainly hydrophilic material, some of which can penetrate to depth quickly after formation. Considering the soil profile as single entity, the simulated soil carbon pools at ORR have mean residence times in the range 1-200 years, most of the carbon being in the slow pools, most of the turnover associated with the faster ones.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Drought shifts dissolved organic matter sources from above- to belowground and stress-induced processes in Amazon white-sand forests

White-sand forests contribute significantly to dissolved organic matter (DOM) production in the central Amazon, forming blackwater rivers that dominate organic matter export from the Amazon basin to the ocean. Despite their importance in controlling DOM export, white-sand forests are understudied, and it remains unclear whether systematic changes in the formation of blackwater DOM occur and how seasonal variations and extremes like El Niño-associated droughts impact them. We collected soil porewater from two central Amazon white-sand forests for two years, spanning a wet La Niña year followed by an El Niño drought year. The molecular composition of DOM was analyzed using high-resolution mass spectrometry, and correlation network analysis was employed to identify ecologically meaningful DOM subsets. Using additional chemical characterization, database annotations, correlation with 14C-age of DOM and climatic variables, and ecological null modeling, we propose five distinct DOM sources: plant litter and throughfall, soil organic matter (SOM) decomposition, root exudation, and two drought response subsets of likely microbial and plant origin. During drought conditions, aboveground plant-derived compounds decreased, while SOM products, root exudates, and drought response compounds increased. These drought responses were qualitatively similar in both years but notably amplified in the drier El Niño year. Drought amplified deterministic control over DOM composition, indicating that DOM reflected directed biological responses and that future droughts are likely to generate similar shifts. Overall, drought substantially altered belowground carbon cycling by shifting DOM sources and inducing stress responses, effects expected to recur and potentially intensify under future climate scenarios.

Lange, Dan F.↗
DOE OSTI2018

Application of Raman Spectroscopy for the Detection of Acetone Dissolved in Transformer Oil

The CLRS detection characteristics of acetone dissolved in transformer oil were analyzed. Raman spectral peak at 780 cm{sup –1} was used as the characteristic spectral peak for qualitative and quantitative analyses. The effect of the detection depth and the temperature was investigated in order to obtain good Raman signals. The optimal detection depth and temperature were set as 3 mm and room temperature. A quantitative model relation between concentration and the Raman peak intensity ratio I{sub 780}/I{sub 893} was constructed via the least-squares method. The results demonstrated that CLRS can quantitatively detect the concentration of acetone in transformer oil and CLRS has potential as a useful alternative for accelerating the in-situ analysis of the concentration of acetone in transformer oil.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Neptunium redox speciation and determination of its total concentration in dissolved fuel simulant solutions by spectrophotometry

Here, two new approaches to measure Np concentration in dissolved used nuclear fuel simulant (aqueous feed for PUREX process) by spectrophotometry are developed. The first approach is based on chemical reduction of Np in the feed to its tetravalent state using ascorbic acid with simultaneous conversion of Pu(IV) to Pu(III). Interfering effects from light absorbing fission and corrosion products are accounted for by measuring optical absorbance spectrum of aqueous raffinate after extraction of U, Np, and Pu by tributyl phosphate in dodecane. The second approach uses no chemical treatment at all and relies on spontaneous valency adjustment of Np to Np(V) by dilution of the feed with water to reduce its acidity to low decimolar range of nitric acid concentration. Results of Np determination in the feed by spectrophotometry are in good agreement with its concentration measured by ICP-MS.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Time dependent chlorination of CeO 2 , La 2 O 3 and Nd 2 O 3 by ZrCl 4 dissolved in eutectic LiCl–KCl

Partial chlorination of CeO 2 , La 2 O 3 , and Nd 2 O 3 was achieved using ZrCl 4 dissolved in molten LiCl-KCl at 450°C over a period of 4-5 hr. ZrCl 4 was pre-volatilized into an argon stream to maintain a constant vapor pressure for equilibration with the salt. This approach was effective at maintaining the ZrCl 4 concentration at the solubility limit of 1.3 mol% in the molten salt throughout the duration of two of the chlorination experiments and within about 60% of the solubility limit in the third experiment. Based on the analysis of salt samples, fractional conversion after four hours of reaction for CeO 2 , and five hours for La 2 O 3 , and Nd 2 O 3 were calculated to be 0.97, 0.28, and 0.65 respectively. Assuming a shrinking core diffusion-limited model, the diffusivity of ZrCl 4 through the hypothesized ZrO 2 layer was calculated for the chlorination of CeO 2 , La 2 O 3 , and Nd 2 O 3 were 1.76 x 10 -10 cm 2 /sec, 7.85 x 10 -12 cm 2 /sec, and 7.42 x 10 -12 cm 2 /sec, respectively. Given the extremely low values calculated for diffusivity, it was concluded that the process is chemical reaction rate limited and that a complete reaction of each rare earth oxide could be achieved. Furthermore, a chemically controlled shrinking core model was shown to also fit the experimental data closely.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Relationship Between Dissolved Calcium and Total Calcium in Al-Killed Steels After Calcium Treatment

The variation of dissolved calcium content after calcium treatment in 37Mn5 pipeline steels was investigated. The content of [Ca] was calculated based on measured results of T.Ca and the composition of inclusions, which decreased from 16 to 0.07 ppm due to calcium vaporization. A comparison between the calculated and predicted [Ca] contents using Factsage indicated a good agreement. The effect of T.Ca, T.O., T.S, [Al]{sub s}, and temperature on [Ca] was also discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effect of Aluminum Dissolved in Hematite on Formation of Calcium Ferrites at 1473 K

Silico-ferrite of calcium and aluminum (SFCA) is a primary bonding phase, which determines the quality of high basicity sinter used widely as raw materials in blast furnace ironmaking. Calcium ferrite containing aluminum (CFA) is a key precursor during the formation process of SFCA and is influenced by Al{sub 2}O{sub 3} content in iron ore fines. In this work, the experiment was conducted to investigate the effect of the aluminum occurrence state on the formation of calcium ferrite by the simulating sintering process of different types of aluminum-bearing hematite at 1473 K. X-ray diffraction, optical microscope, scanning electron microscopy, and energy-dispersive spectroscopy were used to characterize the mineral change in sintered samples. The result shows that the formation of CFA was promoted by both granular Al{sub 2}O{sub 3} wrapped in Fe{sub 2}O{sub 3} and aluminum dissolved in Fe{sub 2}O{sub 3} solid solution, especially for the latter, due to the formation of the CFA directly from the reaction between Fe{sub 2}O{sub 3}-Al{sub 2}O{sub 3} solid solution and CaO, and the aluminum content in CFA formed was influenced obviously by the solid solution amount of alumina into Fe{sub 2}O{sub 3} as raw materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Analysis of Compounds Dissolved in Nonpolar Solvents by Electrospray Ionization on Conductive Nanomaterials

Electrospray ionization mass spectrometry (ESI-MS) technique has limitations in analysis of compounds that are dissolved in nonpolar solvents. In this study, ambient ionization of compounds in solvents that are not “friendly” to electrospray ionization, such as n-hexane, is achieved by conductive nanomaterials spray ionization (CNMSI) on nanomaterial emitters, including carbon nanotubes paper and mesodendritic silver covered metal, which applies high voltages to emitters made of these materials without the assistance of polar solvents. Although the time intensity curves (TIC) commonly vary from 4.5% to 23.7% over analyses, protonated molecular ions were found to be the most abundant species, demonstrating good reproducibility of the technique in terms of ionized species. Higher mass spectrometric responses are observed in analyzing nonpolar systems than polar systems. 2-Methoxyacetophenone, 4-methylacetophenone, benzothiazole, quinolone, and cycloheptanone as low as 2 pg in n-hexane can be directly detected using the developed method. The developed technique expands the analysis capability of ESI-MS for direct, online analysis of nonpolar systems, such as low polarity extracts, normal phase liquid chromatography eluates, and synthetic mixtures. .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗