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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Molecular water adsorption and reactions on (alpha)-Al2O3(0001) and (alpha)-Alumina Particles

The adsorption and reaction of water on single crystal, -Al2O3(0001) in ultrahigh vacuum, and -alumina particles in ambient conditions, was investigated using temperature programmed desorption (TPD), infrared reflection absorption spectroscopy (IRAS), diffuse reflectance infrared Fourier transform spectra (DRIFTS) and other surface science techniques. For a water coverage of 1 H2O/(surface Al3+) on -Al¬2O3(0001), no evidence for the surface hydroxyls expected from dissociative adsorption was observed in the infrared spectra, while the 2 vibration of molecular water was observed. Electron-stimulated desorption of molecular water at low coverages also indicated molecular or mixed (molecular plus dissociative) adsorption. Analysis of Kr TPD spectra showed that the water films wet the alumina substrate and suggested that the films were initially growing layer-by-layer. In contrast with the single crystal results, DRIFTS of water adsorption on alumina particles indicated the presence of surface hydroxyls that persist even after annealing to high temperatures in oxygen. For water on -Al2O3(0001) at coverages less than 0.3 H2O/(surface Al3+), water desorbed over a broad temperature range extending from ~250 K to 700 K. For larger coverages, water desorption occurred at temperatures between ~160 K and 250 K, consistent with desorption of molecular water. The results, which are consistent with at most a small amount of water dissociation on the Al-terminated (0001) surface, are difficult to reconcile with calculations suggesting that the barrier to dissociation is small. However, the results are consistent with recent vibrational sum frequency experiments showing that the hydroxylation of the Al-terminated (0001) surface takes many days even at ambient pressures and temperatures.

Petrik, Nikolay G.↗
DOE OSTI2019

Countercations Control Local Specific Bonding Interactions and Nucleation Mechanisms in Concentrated Water-in-Salt Solutions

One of the continuing challenges presented in aqueous salt solutions is to understand ion association reactions driving dynamic demixing from solvation, complexation and solute clustering. The problems understanding this phenomenon are exacerbated in the highly-concentrated water-in-salt electrolytes, where the deficiency of water leads to a dramatic retardation of solvating water and formation of extended solvent-solute clustering networks. By probing microscopic dynamics of water and prenucleation clusters using quasi-elastic neutron scattering and proton nuclear magnetic resonance spectroscopy, we observed contrasting mechanistic specifics of ion-water mobilities in highly-concentrated Na+- vs. K+-based aluminate solutions (diffusion coefficients of 0.2 vs. 2.6?10-10m2s-1 at 293 K, respectively). The magnitude of the differences is far beyond the kosmotropic (Na+) and chaotropic (K+) effects typically understood at low ionic concentrations. The distinct crystallization mechanisms observed in analogous deuterated systems further imply that different prenucleation cluster dynamics and network packing morphologies can either frustrate or promote crystallization, as described by non-classical nucleation theory.

Wang, Hsiu-Wen↗
DOE OSTI2023

Large-scale molecular dynamics simulations of bubble collapse in water: Effects of system size, water model, and nitrogen

Molecular dynamics simulations in the microcanonical ensemble are performed to study the collapse of a bubble in liquid water using the single-site mW and the four-site TIP4P/2005 water models. To study system size effects, simulations for pure water systems are performed using periodically replicated simulation boxes with linear dimensions, L, ranging from 32 to 512 nm with the largest systems containing 8.7 × 10 6 and 4.5 × 10 9 molecules for the TIP4P/2005 and mW water models, respectively. The computationally more efficient mW water model allows us to reach converging behavior when the bubble dynamics results are plotted in reduced units, and the limiting behavior can be obtained through linear extrapolation in L –1 . Qualitative differences are observed between simulations with the mW and TIP4P/2005 water models, but they can be explained by the models’ differences in predicted viscosity and surface tension. Although bubble collapse occurs on time scales of only hundreds of picoseconds, the system sizes used here are sufficiently large to obtain bubble dynamics consistent with the Rayleigh–Plesset equation when using the models’ thermophysical properties as input. For the conditions explored here, extreme heating of the interfacial water molecules near the time of collapse is observed for the larger mW water systems (but the model underpredicts the viscosity), whereas heating is less pronounced for the TIP4P/2005 water systems because its larger viscosity contribution slows the collapse dynamics. The presence of nitrogen within the bubble only starts to affect bubble dynamics near the very end of the initial collapse, leading to an incomplete collapse and strong rebound for the mW water model. Although nitrogen is non-condensable at 300 K, it becomes highly compressed and reaches a liquid-like density near the collapse point. We find that the dissolution of nitrogen is much slower than the movement of the collapsing water front, and the re-expansion of the dense nitrogen droplet gives rise to bubble rebound. The incompatibility of the collapse and dissolution time scales should be considered for continuum-scale modeling of bubble dynamics. Finally, we also confirm that the diffusion coefficient for dissolved nitrogen is insensitive to pressure as the liquid transitions from a compressed to a stretched state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Prolonged warming and drought modify belowground interactions for water among coexisting plants

Understanding how climate alters plant-soil water dynamics, and its impact on physiological functions, is critical to improved predictions of vegetation responses to climate change. Here we analyzed how belowground interactions for water shift under warming and drought, and associated impacts on plant functions. In a semi-arid woodland, adult trees (piñon and juniper) and perennial grasses were exposed to warming and precipitation reduction. After six years of continuous treatment exposure, soil and plant water isotopic composition under natural- and tracer-conditions were measured to assess community-level water source partitioning and hydraulic redistribution. Warming and drought modified plant water uptake depths. Shifts in water uptake depths under warming resulted in reduced water source partitioning. Under drought, plants maintained similar water source partitioning among species compared to ambient conditions. Trees showed higher water stress, reduced water use and photosynthesis in response to warming and drought. No evidence of hydraulic redistribution was observed for any species independent of the treatments. This study demonstrates that coexisting plants can modulate their partitioning of water sources under prolonged warming and drought but these adjustments do not systematically mitigate climate extremes. Additionally, hydraulic redistribution is not necessarily a significant process compensating climate change impacts in this semi-arid ecosystem.

Grossiord, Charlotte↗
DOE OSTI2017

Comparison and Assessment of Three Advanced Land Surface Models in Simulating Terrestrial Water Storage Components over the United States

In preparation for next generation North American Land Data Assimilation System (NLDAS), 3 three advanced land surface models (CLM4.0, Noah-MP, and CLSM-F2.5) were run from 1979 4 to 2014 within the NLDAS-based framework. Monthly total water storage anomaly (TWSA) and 5 its individual water storage components were evaluated against satellite-based and in situ 6 observations, and reference reanalysis products at basin-wide and statewide scales. In general, all 7 three models are able to reasonably capture the monthly and interannual variability and 8 magnitudes for TWSA. However, contributions of the anomalies of individual water 9 components to TWSA are very dependent on the model and basin. A major contributor to the 10 TWSA is the anomaly of total column soil moisture content (SMCA) for CLM4.0 and Noah-MP 11 or groundwater storage anomaly (GWSA) for CLSM-F2.5 although other components such as 12 the anomaly of snow water equivalent (SWEA) also play some role. For each individual water 13 storage component, the models are able to capture broad features such as monthly and 14 interannual variability. However, there are large inter-model differences and quantitative 15 uncertainties in this study. Therefore, it should be thought of as a preliminary synthesis and 16 analysis.

58 GEOSCIENCES↗
NASA NTRS1973

Evaluation of a multifiltration water reclamation subsystem to reclaim domestic clothes wash water

An evaluation has been performed of a multifiltration water reclamation subsystem to determine its capability to recover water from domestic clothes wash water. A total of 32.89 kg (72.5 lb) of clothes were washed during eight wash cycles which used 1.4 lb of detergent, 145 gallons of hot water and 133.9 gallons of cold water. Water recovered at a weighted average process rate of 3.81 gallons per hour met the majority of the 23 requirements established for potable water by the U.S. Public Health Service. Average power consumed during this evaluation was approximately 71 watt-hours per gallon of water recovered. Filter replacement, which was required primarily for the control of micro-organisms in the recovered water averaged 4.86 filters per 100 gallons of wash water processed. The subsystem removed approximately 98 percent and virtually 100 percent of the phosphates and surfactants, respectively, from the wash water.

Hall, J. B., Jr.↗
NASA NTRS1974

Domestic wash water reclamation for reuse as commode water supply using filtration: Reverse-osmosis separation technique

A combined filtration-reverse-osmosis water recovery system has been evaluated to determine its capability to reclaim domestic wash water for reuse as a commode water supply. The system produced water that met all chemical and physical requirements established by the U.S. Public Health Service for drinking water with the exception of carbon chloroform extractables, methylene blue active substances, and phenols. It is thought that this water is of sufficient quality to be reused as commode supply water. The feasibility of using a combined filtration and reverse-osmosis technique for reclaiming domestic wash water has been established. The use of such a technique for wash-water recovery will require a maintenance filter to remove solid materials including those less than 1 micron in size from the wash water. The reverse-osmosis module, if sufficiently protected from plugging, is an attractive low-energy technique for removing contaminants from domestic wash water.

Hall, J. B., Jr.↗
NASA NTRS1983

Influence of liquid water and water vapor on antimisting kerosene (AMK)

Experiments have been performed to evaluate the compatibility of liquid water and water vapor with antimisting kerosenes (AMK) containing polymer additive FM-9 developed by Imperial Chemical Industries. This effort consists of the determination of water solubility in AMK, influence of water on restoration (degradation) of AMK, and effect of water on standard AMK quality control methods. The principal conclusions of this investigation are: (1) the uptake of water in AMK critically depends upon the degree of agitation and can be as high as 1300 ppm at 20 C, (2) more than 250 to 300 ppm of water in AMK causes an insoluble second phase to form. The amount of this second phase depends on fuel temperature, agitation, degree of restoration (degradation) and the water content of the fuel, (3) laboratory scale experiments indicate precipitate formation when water vapor comes in contact with cold fuel surfaces at a much lower level of water (125 to 150 ppm), (4) precipitate formation is very pronounced in these experiments where humid air is percolated through a cold fuel (-20 C), (5) laboratory tests further indicate that water droplet settling time is markedly reduced in AMK as compared to jet A, (6) limited low temperature testing down to -30 C under laboratory conditions indicates the formation of stable, transparent gels.

Yavrouian, A. H.↗
NASA NTRS2001

Platform and Environmental Effects on Above- and In-Water Determinations of Water-Leaving Radiances

A comparison of above- and in-water spectral measurements in Case-1 conditions showed the uncertainty in above-water determinations of water-leaving radiances depended on the pointing angle of the above-water instruments with respect to the side of the ship. Two above-water methods were used to create a diagnostic variable to quantify the presence of superstructure reflections which degraded the above-water intracomparisons of water-leaving radiances by 10.9-33.4% (for far-to-near viewing distances, respectively). The primary conclusions of the above- and in-water intercomparison of water-leaving radiances were as follows: a) the SeaWiFS 5% radiometric objective was achieved with the above-water approach, but reliably with only one method and only for about half the data; b) a decrease in water-leaving radiance values was seen in the presence of swell, although, wave crests were radiometrically brighter than the troughs; and c) standard band ratios used in ocean color algorithms remained severely affected, because of the relatively low signal and, thus, proportionally significant contamination at the 555nm wavelength.

Hooker, Stanford B.↗
NASA NTRS2012

The Validity Chlorophyll-a Estimation by Sun Induced Fluorescence in Estuarine Waters: An Analysis of Long-term (2003-2011) Water Quality Data from Tampa Bay, Florida (USA)

Satellite observation of phytoplankton concentration or chlorophyll-a is an important characteristic, critically integral to monitoring coastal water quality. However, the optical properties of estuarine and coastal waters are highly variable and complex and pose a great challenge for accurate analysis. Constituents such as suspended solids and dissolved organic matter and the overlapping and uncorrelated absorptions in the blue region of the spectrum renders the blue-green ratio algorithms for estimating chlorophyll-a inaccurate. Measurement of sun-induced chlorophyll fluorescence, on the other hand, which utilizes the near infrared portion of the electromagnetic spectrum, may provide a better estimate of phytoplankton concentrations. While modelling and laboratory studies have illustrated both the utility and limitations of satellite baseline algorithms based on the sun induced chlorophyll fluorescence signal, few have examined the empirical validity of these algorithms using a comprehensive long term in situ data set. In an unprecedented analysis of a long term (2003-2011) in situ monitoring data from Tampa Bay, Florida (USA), we assess the validity of the FLH product from the Moderate Resolution Imaging Spectrometer (MODIS) against chlorophyll ]a and a suite of water quality parameters taken in a variety of conditions throughout a large optically complex estuarine system. A systematic analysis of sampling sites throughout the bay is undertaken to understand how the relationship between FLH and in situ chlorophyll-a responds to varying conditions within the estuary including water depth, distance from shore and structures and eight water quality parameters. From the 39 station for which data was derived, 22 stations showed significant correlations when the FLH product was matched with in situ chlorophyll-alpha data. The correlations (r2) for individual stations within Tampa Bay ranged between 0.67 (n=28, pless than 0.01) and-0.457 (n=12, p=.016), indicating that for some areas within the Bay, FLH can be a good predictor of chlorophyll-alpha concentration and hence a useful tool for the analysis of water quality. Overall, the results show a 106% increase in the validity of chlorophyll -a concentration estimates using FLH over the standard the blue-green OC3M algorithm. This analysis also illustrates that the correlations between FLH and in situ chlorophyll -a measurements increases with increasing water depth and distance of the monitoring sites from both the shore and structures. However, due to confounding factors related to the complexity of the estuarine system, a linear improvement in the FLH to chlorophyll ]a relationship was not clearly noted with increasing depth and distance from shore alone. Correlations of FLH with turbidity, nutrients (total nitrogen and total phosphorous) biological oxygen demand, salinity, sea surface temperature correlated positively with FLH concentrations, while dissolved oxygen and pH showed negative correlations. Principle component analyses are employed to further describe the relationships between the multivariate water quality parameters and the FLH product. The majority of sites with higher and very significant correlations (pless than 0.01) also showed high correlation values for nutrients, turbidity and biological oxygen demand. These sites were on average in greater than seven meters of water and over five kilometers from shore. A thorough understanding of the relationship between the MODIS FLH product and in situ water quality parameters will enhance our understanding of the accuracy MODIS fs global FLH algorithm and assist in optimizing its calibration for use in monitoring the quality of estuarine and coastal waters worldwide.

Moreno-Madrinan, Max Jacobo↗
NASA NTRS2014

Performance of Water Recirculation Loop Maintentance Components for the Advanced Spacesuit Water Membrane Evaporator

Water loop maintenance components to maintain the water quality of the Advanced Spacesuit Water Membrane Evaporation (SWME) water recirculation loop have undergone a comparative performance evaluation with a second SWME water recirculation loop with no water quality maintenance. Results show the benefits of periodic water maintenance. The SWME is a heat rejection device under development at the NASA Johnson Space Center to perform thermal control for advanced spacesuits. One advantage to this technology is the potential for a significantly greater degree of tolerance to contamination when compared to the existing Sublimator technology. The driver for the evaluation of water recirculation maintenance components was to further enhance this advantage through the leveraging of fluid loop management lessonslearned from the International Space Station (ISS). A bed design that was developed for a UTAS military application, and considered for a potential ISS application with the Urine Processor Assembly, provided a low pressure drop means for water maintenance in a recirculation loop. The bed design is coupled with high capacity ion exchange resins, organic adsorbents, and a cyclic methodology developed for the Extravehicular Mobility Unit (EMU) Transport Water loop. The maintenance cycle included the use of a biocide delivery component developed for ISS to introduce a biocide in a microgravity-compatible manner for the Internal Active Thermal Control System (IATCS). The leveraging of these water maintenance technologies to the SWME recirculation loop is a unique demonstration of applying the valuable lessons learned on the ISS to the next generation of manned spaceflight Environmental Control and Life Support System (ECLSS) hardware.

Rector, Tony↗
NASA NTRS2014

Performance of Water Recirculation Loop Maintenance Components for the Advanced Spacesuit Water Membrane Evaporator

Water loop maintenance components to maintain the water quality of the Advanced Spacesuit Water Membrane Evaporation (SWME) water recirculation loop have undergone a comparative performance evaluation with a second SWME water recirculation loop with no water quality maintenance. Results show the benefits of periodic water maintenance. The SWME is a heat rejection device under development at the NASA Johnson Space Center to perform thermal control for advanced spacesuits. One advantage to this technology is the potential for a significantly greater degree of tolerance to contamination when compared to the existing Sublimator technology. The driver for the evaluation of water recirculation maintenance components was to further enhance this advantage through the leveraging of fluid loop management lessons learned from the International Space Station (ISS). A bed design that was developed for a UTAS military application, and considered for a potential ISS application with the Urine Processor Assembly, provided a low pressure drop means for water maintenance in a recirculation loop. The bed design is coupled with high capacity ion exchange resins, organic adsorbents, and a cyclic methodology developed for the Extravehicular Mobility Unit (EMU) Transport Water loop. The maintenance cycle included the use of a biocide delivery component developed for ISS to introduce a biocide in a microgravity compatible manner for the Internal Active Thermal Control System (IATCS). The leveraging of these water maintenance technologies to the SWME recirculation loop is a unique demonstration of applying the valuable lessons learned on the ISS to the next generation of manned spaceflight Environmental Control and Life Support System (ECLSS) hardware.

Rector, Tony↗
DOE OSTI2022

Vacuum freezing nucleated liquid water for purifying brackish water

A method of purifying brackish water includes mixing brackish water with a nucleating agent, forming nucleated liquid water and distributing droplets of the nucleated liquid water inside a vacuum chamber, vacuum freezing the droplets of the nucleated liquid water in the vacuum chamber. The method further includes the droplets forming pure water vapor, nucleated ice, and remaining brackish water, mixing and liquifying the pure water vapor and the nucleated ice, forming a mixture of purified liquid water and the nucleating agent. The method further includes separating the mixture of purified liquid water and the nucleating agent, forming purified liquid water and the nucleating agent.

Cao, Fangyu↗
DOE OSTI2024

δ 2 H isotopic offsets in xylem water measurements under cryogenic vacuum distillation: Quantifying and correcting wood‐water hydrogen exchange influences

Stable isotopes δ 18 O and δ 2 H are used to infer vegetation water sources. In some studies, significant xylem water δ 2 H offsets from potential source waters have been observed. The offsets appear to be more prevalent with cryogenic vacuum distillation (CVD) of plant water. Hypothesized mechanisms for these offsets include changes during plant water uptake and transport, and methodological problems. We propose that a large portion of the offsets are due to hydrogen isotope exchange between xylem water and non-crystalline hydroxyl groups of wood cellulose and hemicellulose during CVD. We present a method for estimating the hypothesized isotopic exchange between wood tissues and water, which is the result of Rayleigh and equilibrium fractionation. To estimate the exchange, we use published wood properties for North American tree species and isotope chemical relationships as a function of moisture content, CVD temperature and water extraction efficiency. A simple model of exchange between xylem water and hydroxyl groups captures the range of observations in studies in which CVD and non-CVD methods were compared. To evaluate the model, we compared observed δ 2 H offsets (sw-excess) values from two field datasets (90°C, n = 364, and 170°C, n = 43) to δ 2 H offsets estimated with our chemical model. We found good agreement between observed and estimated δ 2 H offsets for samples extracted at 90°C (r 2 = 0.69) but not for samples extracted at 170°C (r 2 = 0.20). The offset may be eliminated by increasing the extraction temperature to 229°C or by adding a standard sufficient to raise the moisture content to >150%. A correction can also be approximated by applying a theoretical calculation based on the extraction temperature, moisture content and water extraction efficiency.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Economic assessment of a multistage surface-heated vacuum membrane distillation process for the treatment of hypersaline produced water

Here, the treatment and disposal of hypersaline produced water remains a challenge, particularly for oil and gas producers in the Permian basin where production wells generate significant amounts of wastewater, and the traditional method of injecting wastewater into disposal wells is coming under increasing scrutiny. Here we investigate the viability of using solar energy to power a multi-stage, surface heated, vacuum membrane distillation (SHVMD) with energy recovery to treat hypersaline produced wastewater from Midland, Texas. Membrane distillation is a process that can desalinate waters with high total dissolved solids concentration, and when incorporated into a system with surface heating and energy recovery can achieve high water recovery rates. Model results show that a 6-stage SHVMD system with a 54.4 % water recovery rate and a gained output ratio (GOR) of 3.28 has the potential to be economically viable when used to treat hypersaline produced water in the Permian basin. Assuming energy costs of $\$0.03$/kWh thermal and $\$0.12$kWh electric , we estimate a project net present value (NPV) of $\$225,525$ and an internal rate of return (IRR) of 13.5 % when an air cooled condensor is used to cool the distillate and a NPV of $\$570,791$ and IRR of 24.52 % when a liquid coooling source is available.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2014

Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding

Density functional theory (DFT) studies of weakly interacting complexes have recently focused on the importance of van der Waals dispersion forces, whereas the role of exchange has received far less attention. Here, by exploiting the subtle binding between water and a boron and nitrogen doped benzene derivative (1,2-azaborine) we show how exact exchange can alter the binding conformation within a complex. Benchmark values have been calculated for three orientations of the water monomer on 1,2-azaborine from explicitly correlated quantum chemical methods, and we have also used diffusion quantum Monte Carlo. For a host of popular DFT exchange-correlation functionals we show that the lack of exact exchange leads to the wrong lowest energy orientation of water on 1,2-azaborine. As such, we suggest that a high proportion of exact exchange and the associated improvement in the electronic structure could be needed for the accurate prediction of physisorption sites on doped surfaces and in complex organic molecules. Meanwhile to predict correct absolute interaction energies an accurate description of exchange needs to be augmented by dispersion inclusive functionals, and certain non-local van der Waals functionals (optB88- and optB86b-vdW) perform very well for absolute interaction energies. Through a comparison with water on benzene and borazine (B{sub 3}N{sub 3}H{sub 6}) we show that these results could have implications for the interaction of water with doped graphene surfaces, and suggest a possible way of tuning the interaction energy.

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

Flow Loop Study of ECT-Based Volume Fraction Monitoring in Oil–Water Two-Phase Flows

Measurement of phase volume fractions in water-containing multiphase flows is necessary for the optimization of a host of industrial flow processes. Many water-containing multiphase flows can be classified as either water-dispersed or water-continuous mixtures. A recently developed approach based on Hanai’s mixture formula and utilizing electrical capacitance tomography (ECT) sensors have shown good potential for obtaining water volume fraction estimates in two-phase water-containing flows with different water salinity levels. However, the proposed approach was investigated via controlled experiments restricted to static configurations while, in practice, multiphase flows can be dynamic and unpredictable. In this work, we perform a flow loop study of the proposed ECT-based method for volume fraction estimation in oil–water two-phase flows. Here, we evaluate the performance of the proposed method in both water-dispersed and water-continuous flow regimes by employing different types of capacitive sensors in cylindrical arrangements and parallel-plate rectangular arrangements.

02 PETROLEUM↗