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NASA NTRS2006

Detection of Water Hazards for Autonomous Robotic Vehicles

Four methods of detection of bodies of water are under development as means to enable autonomous robotic ground vehicles to avoid water hazards when traversing off-road terrain. The methods involve processing of digitized outputs of optoelectronic sensors aboard the vehicles. It is planned to implement these methods in hardware and software that would operate in conjunction with the hardware and software for navigation and for avoidance of solid terrain obstacles and hazards. The first method, intended for use during the day, is based on the observation that, under most off-road conditions, reflections of sky from water are easily discriminated from the adjacent terrain by their color and brightness, regardless of the weather and of the state of surface waves on the water. Accordingly, this method involves collection of color imagery by a video camera and processing of the image data by an algorithm that classifies each pixel as soil, water, or vegetation according to its color and brightness values (see figure). Among the issues that arise is the fact that in the presence of reflections of objects on the opposite shore, it is difficult to distinguish water by color and brightness alone. Another issue is that once a body of water has been identified by means of color and brightness, its boundary must be mapped for use in navigation. Techniques for addressing these issues are under investigation. The second method, which is not limited by time of day, is based on the observation that ladar returns from bodies of water are usually too weak to be detected. In this method, ladar scans of the terrain are analyzed for returns and the absence thereof. In appropriate regions, the presence of water can be inferred from the absence of returns. Under some conditions in which reflections from the bottom are detectable, ladar returns could, in principle, be used to determine depth. The third method involves the recognition of bodies of water as dark areas in short-wavelength infrared (SWIR) images. This method is based on the fact, well known among experts in remote sensing, that water bodies of any appreciable depth appear very dark in near-infrared, overhead imagery. Even under a thick layer of marine fog, SWIR illumination is present. Hence, this method may work even in the presence of clouds, though it is unlikely to work at night. Snow and ice also exhibit very strong absorption at wavelengths greater than about 1.4 m. Hence, the wavelength range of about 1.5 to 1.6 m might be useable in this method for recognizing water, snow, and ice. One notable drawback of this method is that useful look-ahead distance could be limited by surface reflections. The fourth method, intended for use at night, involves the contrast between water and terrain in thermal-infrared (medium-wavelength infrared) imagery. This method is based on the fact that at night, water is usually warmer than the adjacent terrain. Look-ahead distance could be limited in this method because, for reasons not yet fully understood, water appears to darken in the thermal infrared with increasing distance.

Matthes, Larry↗

NASA NTRS2000

Orbiter Capability for Providing Water to the International Space Station according to the Most Probable Flight Attitudes

Water to be generated by, delivered to, and processed by the International Space Station (ISS) is a critical Environmental Control and Life Support (ECLS) element, especially for the early ISS missions. A significant portion of the water required by the ISS shall be provided by the Shuttle Transportation System (STS) Orbiter. The balance of water generated by the Orbiter Fuel Cells (FC), minus that water consumed by the Orbiter Flash Evaporator System (FES) and crew, is available for transfer to the ISS. During later missions, crew respired and perspired water, as well as effluent water from the Orbiter LiOH canisters, will be collected as condensate and available for transfer to the ISS. Orbiter radiator performance provides the most variance in determining the amount of net Orbiter water available for transfer to the ISS. As radiator performance decreases, the dependence upon the FES (and FC water) increases for rejecting Orbiter waste heat. Generally, radiator performance decreases as the ISS assembly size increases (especially as solar arrays are added), and also as beta angle increases. ISS solar array deployment necessitates the use of models with articulating solar arrays (for Earth local-vertical attitudes), as array position dramatically affects Orbiter radiator performance. Recent developments in the relaxation of beta angle limitations have also increased the complexity and difficulty of providing water to the ISS. Other factors that may hinder the ability to transfer water are the number of empty Contingency Water Containers (CWCs) available, duration of open-hatch time, crew activity timeline, and full CWC storage capability. A parametric study has been accomplished that provides a quick-reference table for determining expected water generation rates for ISS missions 2A.2 through 7A.1. An hourly Orbiter water generation rate is reported according to a matrix that consists of: (1) (six) significant changes in ISS assembly configuration; (2) (four) beta angles (0 deg. , +37 deg., +53 deg. , and +75 deg.); (3) the (three) most representative ISS attitudes (XPOP-O, XPOP-180 and +XVV); (4) (four) Orbiter radiator configurations (both stowed, starboard deployed, port deployed, and both deployed) and (5) the (two) conditions (radiator inlet temperatures and fuel cell power) most consistent with sleep and wake periods. Those permutations of higher probability of occurrence than others have been identified. Another parametric study has been accomplished that provides a quick-reference table for determining expected water generation rates for ISS assembly complete missions. An hourly Orbiter water generation rate is reported according to a matrix that consists of: (1) (seven) beta angles (-75 deg., -60 deg., -30 deg., 0 deg., +30 deg., +60 deg., and +75 deg.); (2) the (nine) PYR angles that define the corners of the envelope; (3) (four) Orbiter radiator configurations (both stowed, starboard deployed, port deployed, and both deployed) and (4) the (two) conditions (radiator inlet temperatures and fuel cell power) most consistent with sleep and wake periods.

Dunaway, Brian↗

NASA NTRS2012

NASA's Water Solutions Using Remote Sensing

NASA Water Resources works within Earth sciences to leverage investments of space-based observation, model results, and development and deployment of enabling technologies, systems, and capabilities into water resources management decision support tools for the sustainable use of water. Earth science satellite observations and modelling products provide a huge volume of valuable data in both near-real-time and extended back nearly 50 years about the Earth's land surface conditions such as land cover type, vegetation type and health, precipitation, snow, soil moisture, and water levels and radiation. Observations of this type combined with models and analysis enable satellite-based assessment of the water cycle. With increasing population pressure and water usage coupled with climate variability and change, water issues are being reported by numerous groups as the most critical environmental problems facing us in the 21st century. Competitive uses and the prevalence of river basins and aquifers that extend across boundaries engender political tensions between communities, stakeholders and countries. The NASA Water Resources Program has the objective to provide NASA products to help deal with these issues with the goal for the sustainable use of water. The Water Resources program organizes its projects under five functional themes: 1) stream-flow and flood forecasting; 2) water consumptive use (includes evapotranspiration) and irrigation; 3) drought; 4) water quality; and 5) climate and water resources. NASA primarily works with national and international groups such as other US government agencies (NOAA, EPA, USGS, USAID) and various other groups to maximize the widest use of the water products. A summary of NASA's water activities linked to helping solve issues for developing countries will be highlighted.

Toll, David↗

NASA NTRS2013

High Water Contents in the Siberian Cratonic Mantle: An FTIR Study of Udachnaya Peridotite Xenoliths

Water is believed to be a key factor controlling the long-term stability of cratonic lithosphere, but mechanisms responsible for the water content distribution in the mantle remain poorly constrained. Water contents were obtained by FTIR in olivine, pyroxene and garnet for 20 well-characterized peridotite xenoliths from the Udachnaya kimberlite (central Siberian craton) and equilibrated at 2-7 GPa. Water contents in minerals do not appear to be related to interaction with the host kimberlite. Diffusion modeling indicates that the core of olivines preserved their original water contents. The Udachnaya peridotites show a broad range of water contents in olivine (6.5 +/- 1.1 to 323 +- 65 ppm H2O (2 sigma)), and garnet (0 - 23 +/- 6 ppm H2O). The water contents of olivine and garnet are positively correlated with modal clinopyroxene, garnet and FeO in olivine. Water-rich garnets are also rich in middle rare earth elements. This is interpreted as the result of interaction between residual peridotites and water rich-melts, consistent with modal and cryptic metasomatism evidenced in the Siberian cratonic mantle. The most water-rich Udachnaya minerals contain 2 to 3 times more water than those from the Kaapvaal craton, the only craton with an intact mantle root for which water data is available. The highest water contents in olivine and orthopyroxene in this study (>= 300 ppm) are found at the bottom of the lithosphere (> 6.5 GPa). This is in contrast with the Kaapvaal craton where the olivines of peridotites equilibrated at > 6.4 GPa have < 1 ppm H2O. The latter "dry" olivine may make the base of the Kaapvaal cratonic root strong and thus protects it from erosion by the convective mantle The calculated viscosity for water-rich Udachnaya peridotites at > 6 GPa is lower or similar (8.4× 10(exp 16) to 8.0× 10(exp 18) Pa./s) to that of the asthenosphere (<= 3.7x10(exp 18) Pa./s ). Such lithologies would not be able to resist delamination by the convecting asthenosphere. However, seismology studies as well as the high equilibration pressures of our samples indicate that the Udachnaya cratonic lithosphere is 220-250 km thick. Consequently, the water-rich peridotites are likely not representative of the overall Siberian cratonic lithosphere. Their composition is linked to spatially limited melt metasomatism in mantle regions above asthenospheric upwellings responsible for the kimberlite magmatism prior to their ascent and eruption.

Doucet, Luc S.↗

NASA NTRS2020

Monitoring River Basin Development and Variation in Water Resources in Transboundary Imjin River in North and South Korea Using Remote Sensing

This paper presents methods of monitoring river basin development and water variability for the transboundary river in North and South Korea. River basin development, such as dams and water infrastructure in transboundary rivers, can be a potential factor of tensions between upstream and downstream countries since dams constructed upstream can adversely affect downstream riparians. However, because most of the information related to North Korea has been limited to the public, the information about dams constructed and their locations were inaccurate in many previous studies. In addition, water resources in transboundary rivers can be exploited as a political tool. Specifically, due to the unexpected water release from the Hwanggang Dam, upstream of the transboundary Imjin River in North and South Korea, six South Koreans died on 6 September 2009. The Imjin River can be used as a political tool by North Korea, and seven events were reported as water conflicts in the Imjin River from 2001 to 2016. In this paper, firstly, we have updated the information about the dams constructed over the Imjin River in North Korea using multi-temporal images with a high spatial resolution (15-30 cm) obtained from Google Earth. Secondly, we analyzed inter- and intra-water variability over the Hwanggang Reservoir using open-source images obtained from the Global Surface Water Explorer. We found a considerable change in water surface variability before and after 2008, which might result from the construction of the Hwanggang Dam. Thirdly, in order to further investigate intra-annual water variability, we present a method monitoring water storage changes of the Hwanggang Reservoir using the area-elevation curve (AEC), which was derived from multi-sensor Synthetic Aperture Radar (SAR) images (Sentinel-1A and -1B) and the Shuttle Radar Topography Mission (SRTM) Digital Elevation Model (DEM). Since many previous studies for estimating water storage change have depended on satellite altimetry dataset and optical images for deriving AEC, the method adopted in this study is the only application for such inaccessible areas since no altimetry ground track exists for the Hwanggang Reservoir and because clouds can block the study area for wet seasons. Moreover, this study has newly proven that unexpected water release can occur in dry seasons because the water storage in the Hwanggang Reservoir can be high enough to conduct a release that can be used as a geopolitical tool. Using our method, potential risks can be mitigated, not in response to a water release, but based on pre-event water storage changes in the Hwanggang Reservoir.

Kim, Donghwan↗

NASA NTRSDate not supplied

History, Current Operations and Management of Water Systems on the International Space Station

In November 2000, the Expedition 1 crew to the International Space Station (ISS) arrived onboard, thus beginning a 19+ year need to provide potable water to the crew, as well as water to key life support systems. For the first 8 years of ISS operations, the water systems' operations were relatively simple. It consisted of manifesting water via cargo ships or generated via the Space Shuttle fuel cells and stored on ISS to supplement the water processing systems on the Russian segment of the ISS. In 2008, the Water Processor Assembly (WPA), Urine Processor Assembly (UPA), along with a U.S. provided toilet arrived onboard, supplementing the Oxygen Generator Assembly (OGA). This new equipment, known as Regen ECLSS (Regenerative Environmental Control and Life Support Systems), provided a significant capability in recycling fluid within the ISS and minimized manifestation needs. Early in the operations of the Regen ECLSS system, it became clear that the tank capacities were under sized. This led to excessive use of costly crew time to perform water operations. In 2012, a group of ISS flight controllers and engineers proposed and developed a new system that would provide integrated water tanks that could be fully operated from Mission Control on the ground to move water around within the systems. This system has very recently been installed on the ISS and commissioning operations have occurred. This paper will provide a general history of water operations on the ISS, as new systems arrived, and new operations were required. Challenges with water balance, to both avoid overfilling the system as well as avoid running out of water, will be discussed, along with touching on the convoluted steps the Flight Control team had to perform daily to predict future water needs. Finally, the new water storage system will be discussed and the benefits it brings to ISS water operations.

Christopher A Brown↗

DOE OSTI2024

Using stable isotopes to inform water resource management in forested and agricultural ecosystems

Present and future climatic trends are expected to markedly alter water fluxes and stores in the hydrologic cycle. In addition, water demand continues to grow due to increased human use and a growing population. Sustainably managing water resources requires a thorough understanding of water storage and flow in natural, agricultural, and urban ecosystems. Measurements of stable isotopes of water (hydrogen and oxygen) in the water cycle (atmosphere, soils, plants, surface water, and groundwater) can provide information on the transport pathways, sourcing, dynamics, ages, and storage pools of water that is difficult to obtain with other techniques. However, the potential of these techniques for practical questions has not been fully exploited yet. Here, we outline the benefits and limitations of potential applications of stable isotope methods useful to water managers, farmers, and other stakeholders. We also describe several case studies demonstrating how stable isotopes of water can support water management decision-making. Finally, we propose a workflow that guides users through a sequence of decisions required to apply stable isotope methods to examples of water management issues. We call for ongoing dialogue and a stronger connection between water management stakeholders and water stable isotope practitioners to identify the most pressing issues and develop best-practice guidelines to apply these techniques.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2016

Measuring Global Water Security Towards Sustainable Development Goals

Water plays an important role in underpinning equitable, stable and productive societies and ecosystems. Hence, United Nations recognized ensuring water security as one (Goal 6) of the seventeen sustainable development goals (SDGs). Many international river basins are likely to experience 'low water security' over the coming decades. Water security is rooted not only in the physical availability of freshwater resources relative to water demand, but also on social and economic factors (e.g. sound water planning and management approaches, institutional capacity to provide water services, sustainable economic policies). Until recently, advanced tools and methods are available for the assessment of water scarcity. However, quantitative and integrated-physical and socio-economic-approaches for spatial analysis of water security at global level are not available yet. In this study, we present a spatial multi-criteria analysis framework to provide a global assessment of water security. The selected indicators are based on Goal 6 of SDGs. The term 'security' is conceptualized as a function of 'availability', 'accessibility to services', 'safety and quality', and 'management'. The proposed global water security index (GWSI) is calculated by aggregating indicator values on a pixel-by-pixel basis, using the ordered weighted average method, which allows for the exploration of the sensitivity of final maps to different attitudes of hypothetical policy makers. Our assessment suggests that countries of Africa, South Asia and Middle East experience very low water security. Other areas of high water scarcity, such as some parts of United States, Australia and Southern Europe, show better GWSI values, due to good performance of management, safety and quality, and accessibility. The GWSI maps show the areas of the world in which integrated strategies are needed to achieve water related targets of the SDGs particularly in the African and Asian continents.

sustainable-development goals↗

NASA NTRS2021

Financial feasibility of water conservation in agriculture

Global water use for food production needs to be reduced to remain within planetary boundaries, yet the financial feasibility of crucial measures to reduce water use is poorly quantified. Here, we introduce a novel method to compare the costs of water conservation measures with the added value that reallocation of water savings might generate if used for expansion of irrigation. Based on detailed water accounting through the use of a high-resolution hydrology-crop model, we modify the traditional cost curve approach with an improved estimation of demand, increasing marginal cost per water conservation measure combination and add a correction to control for impacts on downstream water availability. We apply the method to three major river basins in the Indo-Gangetic plain (Indus, Ganges and Brahmaputra), a major global food producing region but increasingly water stressed. Our analysis shows that at basin level only about 10% (Brahmaputra) to just over 20% (Indus and Ganges) of potential water savings would be realised; the equilibrium price for water is too low to make the majority of water conservation measures cost effective. The associated expansion of irrigated area is moderate, about 7% in the Indus basin, 5% in the Ganges and negligible in the Brahmaputra, but farmers' gross profit increases more substantially, by 11%. Increasing the volumetric cost of irrigation water influences supply and demand in a similar way and has little influence on water reallocation. Controlling for the impact on return flows is important and more than halves the amount of water available for reallocation.

Geography / Land Utilization↗

DOE OSTI2021

Topical Report on Water Balance Model Development and Initial Application

This topical report summarizes results from developing a generic dynamic water balance tool which can be used by coal-fired power plant operators to evaluate FGD water management strategies. EPRI is using a statistical software model created on the GoldSim platform and data from coal-fired energy plants to determine the fraction of power plant water needs that can be satisfied by electrodialysis reversal treatment and, correspondingly, the discharge volume and/or byproducts that still need to be managed. The generic model is designed to accept a number of easily obtainable process variables and generate probabilities of resultant water characteristics. The model is also constructed as a universal process flow; one that can be adjusted to accommodate most major components of an FGD blowdown handling system. The generic model is dynamic and utilizes user-inputted operational variation in water quality and quantity to best provide a probabilistic representation of potential performance outcomes. In order to account for complexities of water composition and treatment, a separate chemical modeling software is used to evaluate water chemistry and unit operation performance. The thermodynamic modeling software, OLI Studio, is employed to convert ion data from laboratory analyses into balanced molecular concentrations that are classified as dissolved and suspended solids. The dynamic water model is designed to import a total of 11 species commonly found in FGD blowdown water as molecular concentrations.Water management unit operations are used in the model and categorized by either physical unit operation blocks or chemical unit operations blocks. As the name implies, the physical water treatment blocks are unit operations that are exclusively physical changes to the system (e.g., separations and volume changes). The chemical water treatment blocks are unit operations where chemical changes occur and require the use of OLI Studio to characterize subsequent streams. Water and material balances from three unique coal-fired power plants were obtained and preliminary modeling on the dynamic water balance tool was performed using the extracted data from these power plants. These three power plants were chosen due to their unique configurations and water profiles that represented a variety of operational changes. Results from using the dynamic tool with the three plant configurations are presented and discussed in the context of the existing tool and planned future capabilities.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2021

Effect of Biochar and Biochar Particle Size on Plant-Available Water of Sand, Silt Loam, and Clay Soil

Biochar is being used as a soil amendment to improve soil hydraulic properties. It has been reported that biochar increases plant-available water, particularly in coarse-textured soils; however, effects on fine-textured soils are less pronounced. Here, we quantified the effects of biochar particle size on plant-available water in sand, silt loam, and clay soils. We amended these soils with a hydrophilic biochar, and packed soil-biochar mixtures into columns of 5.35-cm diameter and 3.0-cm height. Biochar was produced by gasification of woody forest residues. We applied the biochar at two different rates (0.5\% and 2\% by weight of C) and with four different biochar particle-size fractions ($<$4.75, $<$2.0, $<$1.0 and $<$0.5 mm). Our results show that biochar amendments increased the plant-available water (when expressed gravimetrically) of all three soils, particularly at the highest biochar application rate. Although the absolute increase in plant-available water was largest for the silt loam soil, the relative increase of plant-available water was greater for the sand than for the silt loam and clay. When expressed in volumetric terms, however, the effects on water retention were less pronounced: the sand showed a small increase in plant-available water with biochar amendment, and no change was observed with the silt loam and clay. Particle size of biochar had little effect on plant-available water (when expressed in gravimetric terms) in the three soils, but silt loam and clay showed increased plant-available water (when expressed in volumetric terms) with decreasing biochar particle size, while no effect was observed for the sand. While our findings corroborate many of the previously reported effects of biochar on soil-water retention, we show that the effects and their magnitude depend on whether the results are reported in terms of gravimetric or volumetric water contents. Because bulk density tends to decrease with increasing biochar application, so will the volumetric water content, and thus the magnitude of the effect on plant-available water will be smaller when expressed in volumetric water content.

hydraulic properties, water holding capacity, soil↗

DOE OSTI2026

Hidden features in the OH-stretching spectra of amino acid decorated air–water interfaces

Chemical reactivity at the air–water interface is governed by the interfacial solvation of reactive species. For instance, during aqueous amino acid-based CO 2 absorption, water reorganizes around the reactive sites and couples dynamically with reaction pathways, facilitating the reaction. In this context, surface-sensitive vibrational sum-frequency generation (vSFG) spectroscopy can probe the OH stretch vibrations of interfacial water and determine the solvation structures around reactants and products, thereby furthering our understanding of the role of interfacial solvation. However, vSFG spectra of the air–water interface in the presence of charged species can be remarkably complex; key species-bound local water structures with distinct orientations may be hidden beneath prominent vSFG peaks arising from water–water hydrogen bonds and remain difficult to resolve. Here, we measure and compute vSFG spectra of the water OH stretch at air–water interfaces decorated with amino acids in their zwitterionic and anionic forms, as well as equimolar mixtures of these forms with bicarbonate. The latter represents post-CO 2 -absorption conditions. We find that computing depth- and frequency-dependent spectral densities—decomposed into contributions from water molecules hydrogen-bonded exclusively to other water molecules, exclusively to amines, exclusively to carboxylates, or shared between these polar/charged groups—is indispensable for accurate interpretation of the vSFG spectra. Key findings include orientational flip-flop in water sub-layers, strong carboxylate-water H-bonding, and water orientational ordering extending into the bulk aqueous phase induced by anionic amino acids. Here, this study provides a computational spectroscopic platform for improved understanding of interfacial solvation relevant to interfacial reactivity.

Air-water interface↗

NASA NTRS2015

Design of the Brine Evaporation Bag for Increased Water Recovery in Microgravity

The existing water recovery system on the International Space Station (ISS) is limited to 75% reclamation; consequently, long duration space missions are currently unfeasible due to the large quantity of water necessary to sustain the crew. The Brine Evaporation Bag (BEB) is a proposed system to supplement the existing water recovery system aboard the ISS that can to increase water recovery to 99%. The largest barrier to high water recovery is mineral scaling inside the water recovery equipment, which leads to equipment failure; therefore, some water must remain to keep the minerals dissolved. This waste stream is liquid brine containing salts, acids, organics, and water. The BEB is designed to recover this remaining water while protecting the equipment from scale. The BEB consists of a sealed bag containing a hydrophobic membrane that allows water vapor and gas to pass through. It is operated under vacuum, heated, and continuously filled with brine to boil away the water. The water vapor is recovered and the solids are contained inside the bag for disposal. The BEB can dry the brine to a solid block. Ongoing work includes improving the design of the BEB and the evaporator to prevent leaks, maximize the rate of water removal, and minimize energy use and weight. Additional testing will determine whether designs are heat- or mass-transfer limited and the optimal water recovery rate.

Brine Evaporation Bag↗

NASA NTRS2015

Sensitivity of Water Scarcity Events to ENSO-Driven Climate Variability at the Global Scale

Globally, freshwater shortage is one of the most dangerous risks for society. Changing hydro-climatic and socioeconomic conditions have aggravated water scarcity over the past decades. A wide range of studies show that water scarcity will intensify in the future, as a result of both increased consumptive water use and, in some regions, climate change. Although it is well-known that El Niño- Southern Oscillation (ENSO) affects patterns of precipitation and drought at global and regional scales, little attention has yet been paid to the impacts of climate variability on water scarcity conditions, despite its importance for adaptation planning. Therefore, we present the first global-scale sensitivity assessment of water scarcity to ENSO, the most dominant signal of climate variability. We show that over the time period 1961-2010, both water availability and water scarcity conditions are significantly correlated with ENSO-driven climate variability over a large proportion of the global land area (> 28.1 %); an area inhabited by more than 31.4% of the global population. We also found, however, that climate variability alone is often not enough to trigger the actual incidence of water scarcity events. The sensitivity of a region to water scarcity events, expressed in terms of land area or population exposed, is determined by both hydro-climatic and socioeconomic conditions. Currently, the population actually impacted by water scarcity events consists of 39.6% (CTA: consumption-to-availability ratio) and 41.1% (WCI: water crowding index) of the global population, whilst only 11.4% (CTA) and 15.9% (WCI) of the global population is at the same time living in areas sensitive to ENSO-driven climate variability. These results are contrasted, however, by differences in growth rates found under changing socioeconomic conditions, which are relatively high in regions exposed to water scarcity events. Given the correlations found between ENSO and water availability and scarcity conditions, and the relative developments of water scarcity impacts under changing socioeconomic conditions, we suggest that there is potential for ENSO-based adaptation and risk reduction that could be facilitated by more research on this emerging topic.

risk↗

DOE OSTI2022

Molecular Structure of Adsorbed Water Phases in Silica Nanopores

The adsorption of water vapor in silica nanopores with different pore morphologies and surface hydrophilicities was studied to quantify the densities and thicknesses of the water sorption layers and deduce their molecular structures. Water adsorption to surface hydroxyls is described by a multilayer sorption model. At low pressure, the water adsorption isotherms are largely independent of pore size and the adsorbed amounts scale with the surface hydroxyl density. Adsorbed-phase densities corresponding to the adsorption of two water molecules per surface hydroxyl group are found in the first adsorbed water layer for a wide range of surface hydroxyl densities. The densities and layer thickness values found in narrow pores indicate that patchy adsorbed layers form if not enough water molecules exist for a full layer, which coexist with dry pore surface regions. This behavior indicates cooperative adsorption effects, i.e., a preference for the formation of hydrogen bonds between water molecules bound to surface hydroxyls. In narrow pores, pore condensation limits further growth of the sorption layer, and in larger pores and at the planar quartz surface, a second adsorbed water layer is formed, which can hold up to approximately 4 additional water molecules per surface hydroxyl group. The water molecules in these thicker adsorption layers arrange such that the sorption layer density is similar to the bulk water density. Pore confinement limitations on the sorption layers are observed in pores with radii of as large as 8 nm. Molecular dynamics modeling reveals two preferential orientations for water molecules adsorbing to surface hydroxyl groups and suggests an intralayer structuring in the adsorbed monolayer. Furthermore, adsorbed water molecules in the sorption layer are bonded to the surface hydroxyl group via the donation and acceptance of hydrogen bonds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Miscibility of rock and ice in the interiors of water worlds

Abstract Super-Earths and sub-Neptunes are the most common planet types in our galaxy. A subset of these planets is predicted to be water worlds, bodies that are rich in water and poor in hydrogen gas. The interior structures of water worlds have been assumed to consist of water surrounding a rocky mantle and iron core. In small planets, water and rock form distinct layers with limited incorporation of water into silicate phases, but these materials may interact differently during the growth and evolution of water worlds due to greater interior pressures and temperatures. Here, we use density functional molecular dynamics (DFT-MD) simulations to study the miscibility and interactions of enstatite (MgSiO 3 ), a major end-member silicate phase, and water (H 2 O) at extreme conditions in water world interiors. We explore pressures ranging from 30 to 120 GPa and temperatures from 500 to 8000 K. Our results demonstrate that enstatite and water are miscible in all proportions if the temperature exceeds the melting point of MgSiO 3 . Furthermore, we performed smoothed particle hydrodynamics simulations to demonstrate that the conditions necessary for rock-water miscibility are reached during giant impacts between water-rich bodies of 0.7–4.7 Earth masses. Our simulations lead to water worlds that include a mixed layer of rock and water.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

KOH vs Deionized Water Operation in Anion Exchange Membrane Electrolyzers

Anion exchange membrane water electrolyzers (AEMELs) have recently received significant attention due to their potential advantages over proton exchange membrane electrolyzers (PEMELs). However, some AEMELs feed an aqueous salt solution to the cell where PEMELs typically feed deionized (DI) water. DI water is preferred to keep the system and maintenance costs low. Because of this, many AEMEL researchers report performance both in the salt solution (typically KOH) and DI water. However, the methodology for switching between KOH and DI water is often poorly defined, and it is unclear what impact the residual salt has on cell performance after switching from salt to DI water. Having a fully deionized environment is important because the presence of salts in the water feed increase the effective electrochemical surface area of the catalyst in the three-dimensional electrode and residual salt remaining after switching to DI water feed can have a misleading transient effect on cell performance. This paper focuses on understanding the transition from KOH to DI water testing in AEMELs. It is shown that when switching from salt to DI water feed, a large volume of DI water must be fed over several hours to achieve true DI-water performance. It is also shown that starting AEMELs from the beginning with DI water feed (without any KOH ever being fed to the cell) results in better cell durability. Lastly, a cell is demonstrated having operated exclusively on DI water at 1.0 A cm −2 for 500 h at an operating voltage of ca. 2 V and a low degradation rate.

08 HYDROGEN↗

DOE OSTI2020

Opportunities for Using the Industrial Assessment Center Database for Industrial Water Use Analysis

The manufacturing sector accounted for approximately 5–6% of total U.S. water use in 2015. Of that amount, 75–80% is self supplied withdrawal from surface-water and groundwater sources and the remainder is from public water supplies. Although manufacturing facilities commonly locate in water-scarce areas, water scarcity still poses a great risk to the manufacturing sector. Reliable water is necessary for any facility that relies on it for process and comfort cooling, cleaning, employee use, and steam generation. One of these barriers to water efficiency is the lack of reliable data on overall U.S. industrial water use—how it is used and the quantities required for each sector. If a facility cannot be easily compared with a facility of similar size and sector, knowing if it is effectively using water conservation best practices is difficult. One potential source of industrial water use data is the U.S. Department of Energy (DOE)–sponsored Industrial Assessment Centers (IACs). IACs are university-based organizations that provide free audits to small- and medium-sized manufacturing facilities to identify productivity improvement and waste and energy reduction opportunities. The IACs also maintain a database of all the audits conducted, which currently holds more than 19,267 assessments and 145,000 recommendations (as of July 24, 2020). This database also contains energy utility (electricity, natural gas, and other fuels) and water utility data, making it a potential data source for industrial water use. This report attempts to create regression models to predict a small- or medium-sized industrial facility’s annual water use or cost based on its industrial subsector and several possible relevant variables. Using data collected by IAC assessments, models for several industrial subsectors were generated via stepwise regression techniques to determine which variables (annual sales, number of employees, facility/plant area, annual production hours, and a water stress metric) are relevant.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗