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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Hydrogen from Sunlight and Water: A Side-by-Side Comparison between Photoelectrochemical and Solar Thermochemical Water-Splitting

Photoelectrochemical (PEC) and solar thermochemical (STCH) water-splitting represent two promising pathways for direct solar hydrogen generation. PEC water-splitting integrates multiple functional materials and utilizes energetic electrons and holes generated from sunlight to produce hydrogen and oxygen in two half-reactions, while STCH water-splitting couples a series of consecutive chemical reactions and uses absorbed heat from sunlight to generate hydrogen and oxygen in two full reactions. In this Focus Review, the basic operating principles, sunlight utilization, device architecture, reactor design, instantaneous and annually averaged solar-to-hydrogen (STH) conversion efficiency, and the operating conditions and constraints of both pathways are compared. A side-by-side comparison addresses some common sources of confusion and misinterpretation, especially in the evaluation of STH conversion efficiencies, and reveals distinct features and challenges in both PEC and STCH technologies. Furthermore, this Focus Review also addresses materials and device challenges in PEC and STCH for cost-competitive hydrogen generation.

08 HYDROGEN↗
DOE OSTI2016

River stage influences on uranium transport in a hydrologically dynamic groundwater-surface water transition zone

In this study, a well-field within a uranium (U) plume in the groundwater-surface water transition zone was monitored for a 3 year period for water table elevation and dissolved solutes. The plume discharges to the Columbia River, which displays a dramatic spring stage surge resulting from snowmelt. Groundwater exhibits a low hydrologic gradient and chemical differences with river water. River water intrudes the site in spring. Specific aims were to assess the impacts of river intrusion on dissolved uranium (U aq ), specific conductance (SpC), and other solutes, and to discriminate between transport, geochemical, and source term heterogeneity effects. Time series trends for U aq and SpC were complex and displayed large temporal and well-to-well variability as a result of water table elevation fluctuations, river water intrusion, and changes in groundwater flow directions. The wells were clustered into subsets exhibiting common behaviors resulting from the intrusion dynamics of river water and the location of source terms. Hot-spots in U aq varied in location with increasing water table elevation through the combined effects of advection and source term location. Heuristic reactive transport modeling with PFLOTRAN demonstrated that mobilized U aq was transported between wells and source terms in complex trajectories, and was diluted as river water entered and exited the groundwater system. While U aq time-series concentration trends varied significantly from year-to-year as a result of climate-caused differences in the spring hydrograph, common and partly predictable response patterns were observed that were driven by water table elevation, and the extent and duration of river water intrusion.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Plant Water Profiler: A Water Balance and True Cost of Water Calculator for Manufacturing Plants

As the uncertainty of a sustained water supply, regulatory constraints, competition among end users, and public scrutiny increases, a growing number of manufacturing sectors are adapting to current and emerging water-related risks by optimizing productivity and reducing waste. As a step toward increasing water use efficiency and making informed business decisions, corporations must make an effort to understand and track their water demands, losses, and costs associated with each subsystem within their facilities. Manufacturers are often unaware of the “true cost of water” (i.e., the total costs associated with procurement, treatment, and consumption of water, and wastewater disposal), which reduces the visibility of the actual impact of water-saving measures. To help manufacturers account for water procurement and use in manufacturing operations, quantify the true cost of water, and identify potential areas for water and associated energy cost savings, an open access tool—Plant Water Profiler (PWP)—was developed. The tool is based on water mass balance analysis and has been adopted as the core analysis tool for plant water use assessments, Water In-Plant Training (Water INPLT), as part of the US Department of Energy’s Better Plants program. During three pilot INPLTs conducted in 2019 at three manufacturing facilities, the PWP tool allowed users to understand water flows within the facilities and provided additional capabilities to analyze their water use. This paper describes the methodology behind the PWP tool and its implementation through pilot Water INPLT trainings delivered in three manufacturing facilities in the United States. The three case studies demonstrate opportunities to improve water efficiency and reduce associated costs and the challenges encountered in three different manufacturing sectors.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

Electron-stimulated reactions in nanoscale water films adsorbed on (alpha)-Al2O3(0001)

The radiation-induced decomposition and desorption of nanoscale amorphous solid water (D2O) films adsorbed on -Al2O3(0001) surface was studied at low temperature in ultrahigh vacuum using temperature programmed desorption (TPD) and electron stimulated desorption (ESD) with a mono-energetic, low energy electron source. ESD yields of molecular products ( D2, O2 and D¬2O) and the total sputtering yield increased with increasing D2O coverage up to ~15 water monolayers (i.e. ~15 1015 cm-2) to a coverage-independent level for thicker water films. Experiments with isotopically-layered water films (D2O and H2O) demonstrated that the highest water decomposition yields occurred at the interfaces of the nanoscale water films with the alumina substrate and vacuum. However, the increased reactivity of the water/alumina interface is relatively small compared to the enhancements in the non-thermal reactions previously observed at the water/Pt(111) and water/TiO2(110) interfaces. We propose that the relatively low activity of Al2O3(0001) for the radiation-induced production of molecular hydrogen is associated with lower reactivity of this surface with hydrogen atoms, which are likely precursors for the molecular hydrogen.

Petrik, Nikolay G.↗
NASA NTRS1997

Response of the water status of soybean to changes in soil water potentials controlled by the water pressure in microporous tubes

Water transport through a microporous tube-soil-plant system was investigated by measuring the response of soil and plant water status to step change reductions in the water pressure within the tubes. Soybeans were germinated and grown in a porous ceramic 'soil' at a porous tube water pressure of -0.5 kpa for 28 d. During this time, the soil matric potential was nearly in equilibrium with tube water pressure. Water pressure in the porous tubes was then reduced to either -1.0, -1.5 or -2.0 kPa. Sap flow rates, leaf conductance and soil, root and leaf water potentials were measured before and after this change. A reduction in porous tube water pressure from -0.5 to -1.0 or -1.5 kPa did not result in any significant change in soil or plant water status. A reduction in porous tube water pressure to -2.0 kPa resulted in significant reductions in sap flow, leaf conductance, and soil, root and leaf water potentials. Hydraulic conductance, calculated as the transpiration rate/delta psi between two points in the water transport pathway, was used to analyse water transport through the tube-soil-plant continuum. At porous tube water pressures of -0.5 to-1.5 kPa soil moisture was readily available and hydraulic conductance of the plant limited water transport. At -2.0 kPa, hydraulic conductance of the bulk soil was the dominant factor in water movement.

NASA Center JSC↗
DOE OSTI2018

A Stable Graphitic, Nanocarbon-Encapsulated, Cobalt-Rich Core-Shell Electrocatalyst as an Oxygen Electrode in a Water Electrolyzer

The oxygen electrode plays a vital role in the successful commercialization of renewable energy technologies, such as fuel cells and water electrolyzers. In this study, the Prussian blue analogue-derived nitrogen-doped nanocarbon (NC) layer-trapped, cobalt-rich, core–shell nanostructured electrocatalysts (core–shell Co@NC) are reported. The electrode exhibits an improved oxygen evolution activity and stability compared to that of the commercial noble electrodes. The core–shell Co@NC-loaded nickel foam exhibits a lower overpotential of 330 mV than that of IrO2 on nickel foam at 10 mA cm-2 and has a durability of over 400 h. The commercial Pt/C cathode-assisted, core–shell Co@NC–anode water electrolyzer delivers 10 mA cm-2 at a cell voltage of 1.59 V, which is 70 mV lower than that of the IrO2–anode water electrolyzer. Over the long-term chronopotentiometry durability testing, the IrO2–anode water electrolyzer shows a cell voltage loss of 230 mV (14%) at 95 h, but the loss of the core–shell Co@NC–anode electrolyzer is only 60 mV (4%) even after 350 h cell-operation. The findings indicate that the Prussian blue analogue is a class of inorganic nanoporous materials that can be used to derive metal-rich, core–shell electrocatalysts with enriched active centers.

Sivanantham, Arumugam↗
DOE OSTI2017

Dynamic Stabilization of Metal Oxide–Water Interfaces

The interaction of water with metal oxide surfaces plays a crucial role in the catalytic and geochemical behavior of metal oxides. In a vast majority of studies, the interfacial structure is assumed to arise from a relatively static lowest energy configuration of atoms, even at room temperature. Using hematite (α-Fe 2 O 3 ) as a model oxide, we show through a direct comparison of in situ synchrotron X-ray scattering with density functional theory-based molecular dynamics simulations that the structure of the ($1\bar{10}2 $) termination is dynamically stabilized by picosecond water exchange. Simulations show frequent exchanges between terminal aquo groups and adsorbed water in locations and with partial residence times consistent with experimentally determined atomic sites and fractional occupancies. Frequent water exchange occurs even for an ultrathin adsorbed water film persisting on the surface under a dry atmosphere. The resulting time-averaged interfacial structure consists of a ridged lateral arrangement of adsorbed water molecules hydrogen bonded to terminal aquo groups. Surface pK a prediction based on bond valence analysis suggests that water exchange will influence the proton-transfer reactions underlying the acid/base reactivity at the interface. Our findings provide important new insights for understanding complex interfacial chemical processes at metal oxide–water interfaces.

58 GEOSCIENCES↗
DOE OSTI2016

The structure of liquid water up to 360 MPa from x-ray diffraction measurements using a high Q-range and from molecular simulation

X-ray diffraction measurements of liquid water are reported at pressures up to 360 MPa corresponding to a density of 0.0373 molecules per Å{sup 3}. The measurements were conducted at a spatial resolution corresponding to Q{sub max} = 16 Å{sup −1}. The method of data analysis and measurement in this study follows the earlier benchmark results reported for water under ambient conditions having a density of 0.0333 molecules per Å{sup 3} and Q{sub max} = 20 Å{sup −1} [J. Chem. Phys. 138, 074506 (2013)] and at 70 °C having a density of 0.0327 molecules per Å{sup 3} and Q{sub max} = 20 Å{sup −1} [J. Chem. Phys. 141, 214507 (2014)]. The structure of water is very different at these three different T and P state points and thus they provide the basis for evaluating the fidelity of molecular simulation. Measurements show that at 360 MPa, the 4 waters residing in the region between 2.3 and 3 Å are nearly unchanged: the peak position, shape, and coordination number are nearly identical to their values under ambient conditions. However, in the region above 3 Å, large structural changes occur with the collapse of the well-defined 2nd shell and shifting of higher shells to shorter distances. The measured structure is compared to simulated structure using intermolecular potentials described by both first-principles methods (revPBE-D3) and classical potentials (TIP4P/2005, MB-pol, and mW). The DFT-based, revPBE-D3, method and the many-body empirical potential model, MB-pol, provide the best overall representation of the ambient, high-temperature, and high-pressure data. The revPBE-D3, MB-pol, and the TIP4P/2005 models capture the densification mechanism, whereby the non-bonded 5th nearest neighbor molecule, which partially encroaches the 1st shell at ambient pressure, is pushed further into the local tetrahedral arrangement at higher pressures by the more distant molecules filling the void space in the network between the 1st and 2nd shells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Effects of spatially distributed sectoral water management on the redistribution of water resources in an integrated water model

Realistic representations of sectoral water withdrawals and consumptive demands and their allocation to surface and groundwater sources are important for improving modeling of the integrated water cycle. To inform future model development, in this work we enhance the representation of water management in a regional Earth system (ES) model with a spatially distributed allocation of sectoral water demands simulated by a regional integrated assessment (IA) model to surface and groundwater systems. The integrated modeling framework (IA-ES) is evaluated by analyzing the simulated regulated flow and sectoral supply deficit in major hydrologic regions of the conterminous U.S, which differ from ES studies looking at water storage variations. Decreases in historical supply deficit are used as metrics to evaluate IA-ES model improvement in representating the complex sectoral human activities for assessing future adaptation and mitigation strategies. We also assess the spatial changes in both regulated flow and unmet demands, for irrigation and nonirrigation sectors, resulting from the individual and combined additions of groundwater and return flow modules. Results show that groundwater use has a pronounced regional and sectoral effect by reducing water supply deficit. The effects of sectoral return flow exhibit a clear east-west contrast in the hydrologic patterns, so the return flow component combined with the IA sectoral demands is a major driver for spatial redistribution of water resources and water deficits in the US. Our analysis highlights the need for spatially distributed sectoral representation of water management to capture the regional differences in interbasin redistribution of water resources and deficits.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Interplay of Ion–Water and Water–Water Interactions within the Hydration Shells of Nitrate and Carbonate Directly Probed with 2D IR Spectroscopy

The long-range influence of ions in solution on the water hydrogen-bond (H-bond) network remains a topic of vigorous debate. Recent spectroscopic and theoretical studies have, for the most part, reached the consensus that weakly coordinating ions only affect water molecules in the first hydration shell. In this work, we apply ultrafast broadband two-dimensional infrared (2D IR) spectroscopy to aqueous nitrate and carbonate in neat H 2 O to study the solvation structure and dynamics of ions on opposite ends of the Hofmeister series. By exciting both the water OH stretches and ion stretches and probing the associated cross-peaks between them, we are afforded a comprehensive view into the complex nature of ion hydration. We show in aqueous nitrate that weak ion–water H-bonding leads to water–water interactions in the ion solvation shells dominating the dynamics. In contrast, the carbonate CO stretches show significant mixing with the water OH stretches due to strong ion–water H-bonding such that the water and ion modes are intimately correlated. Further, the excitonic nature of vibrations in neat H 2 O, which spans multiple water molecules, is an important factor in describing ion hydration. Finally, we attribute these complex dynamics to the likely presence of intermediate-range effects influenced by waters beyond the first solvation shell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Calculating Average Hot Water Mixes of Residential Plumbing Fittings Using the ANSI 301-2019 Hot Water Draw Model and National Residential Data to Estimate Hot Water Use in Showerheads and Lavatory Faucets

Available studies of hot water use percentages may not necessarily be generalized to a national level given regional differences, varying methodological approaches, and limited sample sizes. While some publicly available usage data, reports, and surveys estimate actual household usage, a lack of water use data specific to end uses make more precise savings calculations difficult. Additionally, most hot water draw models tend to focus on overall household use and may not readily estimate lavatory fixture use. However, reviewing more recent studies and standards enables the U.S. Environmental Protection Agency’s WaterSense program to update its estimates for hot water use and consumers’ corresponding energy and monetary savings to better reflect realworld conditions. This report specifically focuses on improving hot water use and savings estimates of lavatory faucets and showerheads. To estimate the hot water use of lavatory faucets and showerheads, we employed the 2015 Residential Energy Consumption Surveys (RECS) microdata alongside the ANSI 301-2019 Hot Water Draw Model. These estimates account for regional differences in hot water use, including regional cold water inlet temperatures. As a result, the refinements presented in this report are more robust, more recent, and better describe the geographic variation than previous inputs used by the WaterSense program. In addition, the approach described in this paper can be updated over time or tailored to regionally specific needs given available inputs. We conclude that hot water percentages for showers and faucets calculated using publicly available national data are close to the percentages found by regional studies and are consistent with household-level models of water use.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2012

Assessment of a Bidirectional Reflectance Distribution Correction of Above-Water and Satellite Water-Leaving Radiance in Coastal Waters

Water-leaving radiances, retrieved from in situ or satellite measurements, need to be corrected for the bidirectional properties of the measured light in order to standardize the data and make them comparable with each other. The current operational algorithm for the correction of bidirectional effects from the satellite ocean color data is optimized for typical oceanic waters. However, versions of bidirectional reflectance correction algorithms specifically tuned for typical coastal waters and other case 2 conditions are particularly needed to improve the overall quality of those data. In order to analyze the bidirectional reflectance distribution function (BRDF) of case 2 waters, a dataset of typical remote sensing reflectances was generated through radiative transfer simulations for a large range of viewing and illumination geometries. Based on this simulated dataset, a case 2 water focused remote sensing reflectance model is proposed to correct above-water and satellite water-leaving radiance data for bidirectional effects. The proposed model is first validated with a one year time series of in situ above-water measurements acquired by collocated multispectral and hyperspectral radiometers, which have different viewing geometries installed at the Long Island Sound Coastal Observatory (LISCO). Match-ups and intercomparisons performed on these concurrent measurements show that the proposed algorithm outperforms the algorithm currently in use at all wavelengths, with average improvement of 2.4% over the spectral range. LISCO's time series data have also been used to evaluate improvements in match-up comparisons of Moderate Resolution Imaging Spectroradiometer satellite data when the proposed BRDF correction is used in lieu of the current algorithm. It is shown that the discrepancies between coincident in-situ sea-based and satellite data decreased by 3.15% with the use of the proposed algorithm.

LISCO(LONG ISLAND SOUND COASTAL OBSERVATORY)↗
DOE OSTI2024

High-Temperature Water Adsorption Isotherms and Ambient Temperature Water Diffusion Rates on Water Harvesting Metal–Organic Frameworks

Water adsorption isotherms from 25 to 125 °C were measured for three metal−organic frameworks (MOFs), MOF-303, MOF-LA2-1, and MIL-100(Fe), which are frequently studied for water harvesting applications. The results show how the step in the water adsorption isotherm varies as a function of temperature and detail the combination of pressure and temperature necessary to remove adsorbed water. Furthermore, isobaric−isothermal Gibbs ensemble Monte Carlo simulations performed for MOF-303 shed light on the change in occupation numbers of the different known water adsorption sites with increasing temperature. Additionally, the diffusion rates of water through these materials were measured using concentration swing frequency response, and micropore diffusion was identified as the controlling mechanism. The Darken relation was used to show the dependence of the diffusion rate on the concentration and the impact of the adsorption isotherm slope. The adsorption of water on MOF-LA2-1 is faster than that on MIL-100(Fe). These data show that MOF-LA2-1 with its high-water adsorption capacity, quick adsorption rate, and favorable desorption energetics is a leading candidate for atmospheric water harvesting.

Adsorption↗
NASA NTRS2021

Southwest Water Resources: Monitoring Surface Water Extents of Remote Stock Ponds in the Southwestern United States Using Earth Observing Systems for Enhanced Water Resources Management

Due to increasingly frequent and severe drought conditions in the southwestern US, land managers and livestock producers need to monitor stock ponds with increasing regularity. The ability to assess stock pond water levels with Earth observing satellite systems would enhance monitoring efforts of partners at the US Forest Service, Arizona Department of Game and Fish, and the Diablo Trust. This study employed Landsat 8 Operational Land Imager (OLI), Sentinel-1 C-band Synthetic Aperture Radar (C-SAR), and Sentinel-2 Multispectral Instrument (MSI) to monitor surface water extent for hundreds of critical stock ponds in Arizona. Using methods adapted from previously developed image processing workflows, this project conducted a time-series analysis to capture seasonal and interannual variations in surface water area between 2013 to 2021. In addition, end users can monitor the surface water extent of stock ponds through the developed Google Earth Engine software tool called Surface Water Identification and Forecasting Tool (SWIFT). SWIFT incorporates the Automated Water Extraction Index, Modified Normalized Difference Water Index, and Tasseled Cap-Wetness Index for optical imagery and the incidence angle, VV and VH polarization bands for Sentinel-1 imagery to detect small water bodies in the study area with an overall accuracy range of 88-93%. These tools will empower our partners to monitor the extents of water in their stock ponds remotely, enabling them to develop data-informed and sustainable management solutions for decades to come.

Rainey Aberle↗
DOE OSTI2015

Comparative compressibility of hydrous wadsleyite and ringwoodite: Effect of H 2 O and implications for detecting water in the transition zone: EFFECT OF WATER ON D K /D P OF WADSLEYITE

Review of recent mineral physics literature shows consistent trends for the influence of Fe and H 2 O on the bulk modulus (K0) of wadsleyite and ringwoodite, the major phases of Earth's mantle transition zone (410–660 km). However, there is little consensus on the first pressure derivative, K0' = (dK/dP)P=0, which ranges from about 4 to >5 across experimental studies and compositions. Here we demonstrate the importance of K0' in evaluating the bulk sound velocity of the transition zone in terms of water content and provide new constraints on the effect of H 2 O on K0' for wadsleyite and ringwoodite by conducting a comparative compressibility study. In the experiment, multiple crystals of hydrous Fo90 wadsleyite containing 2.0 and 0.25 wt % H 2 O were loaded into the same diamond anvil cell, along with hydrous ringwoodite containing 1.4 wt % H 2 O. By measuring their pressure-volume evolution simultaneously up to 32 GPa, we constrain the difference in K0' independent of the pressure scale, finding that H 2 O has no effect on K0', whereas the effect of H 2 O on K0 is significant. The fitted K0' values of hydrous wadsleyite (0.25 and 2.0 wt % H 2 O) and hydrous ringwoodite (1.4 wt % H 2 O) examined in this study were found to be identical within uncertainty, with K0' ~3.7(2). New secondary-ion mass spectrometry measurements of the H 2 O content of these and previously investigated wadsleyite samples shows the bulk modulus of wadsleyite is reduced by 7.0(5) GPa/wt % H 2 O, independent of Fe content for upper mantle compositions. Because K0' is unaffected by H 2 O, the reduction of bulk sound velocity in very hydrous regions of transition zone is expected to be on the order of 1.6%, which is potentially detectible in high-resolution, regional seismology studies.

58 GEOSCIENCES↗
DOE OSTI2017

Influence of landscape heterogeneity on water available to tropical forests in an Amazonian catchment and implications for modeling drought response: Water Available to Tropical Forest

The Amazon basin experienced periodic droughts in the past, and climate models projected more intense and frequent droughts in the future. How tropical forests respond to drought may depend on water availability, which is modulated by landscape heterogeneity. Using the one-dimensional ACME Land Model (ALM) and the three-dimensional ParFlow variably saturated flow model, a series of numerical experiments were performed for the Asu catchment in central Amazon to elucidate processes that influence water available for plant use and provide insights for improving Earth system models. Results from ParFlow show that topography has a dominant influence on groundwater table and runoff through lateral flow. Without any representations of lateral processes, ALM simulates very different seasonal variations in groundwater table and runoff compared to ParFlow even if it is able to reproduce the long-term spatial average groundwater table of ParFlow through simple parameter calibration. In the ParFlow simulations, the groundwater table is evidently deeper and the soil saturation is lower in the plateau compared to the valley. However, even in the plateau during the dry season in the drought year of 2005, plant transpiration is not water stressed in the ParFlow simulations as the soil saturation is still sufficient to maintain a soil matric potential for the stomata to be fully open. This finding is insensitive to uncertainty in atmospheric forcing and soil parameters, but the empirical wilting formulation used in the models is an important factor that should be addressed using observations and modeling of coupled plant hydraulics-soil hydrology processes in future studies.

Fang, Yilin↗