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At least 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

On the representation of many-body interactions in water

Recent work has shown that the many-body expansion of the interaction energy can be used to develop analytical representations of global potential energy surfaces (PESs) for water. In this study, the role of short- and long-range interactions at different orders is investigated by analyzing water potentials that treat the leading terms of the many-body expansion through implicit (i.e., TTM3-F and TTM4-F PESs) and explicit (i.e., WHBB and MB-pol PESs) representations. It is found that explicit short-range representations of 2-body and 3-body interactions along with a physically correct incorporation of short- and long-range contributions are necessary for an accurate representation of the water interactions from the gas to the condensed phase. Similarly, a complete many-body representation of the dipole moment surface is found to be crucial to reproducing the correct intensities of the infrared spectrum of liquid water.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

A Review of Water Quality Responses to Air Temperature and Precipitation Changes 1: Flow, Water Temperature, Saltwater Intrusion

Abstract Anticipated future increases in air temperature and regionally variable changes in precipitation will have direct and cascading effects on United States (U.S.) water quality. In this paper, and a companion paper by Coffey et al., we review technical literature addressing the responses of different water quality attributes to historical and potential future changes in air temperature and precipitation. The goal is to document how different attributes of water quality are sensitive to these drivers, to characterize future risk to inform management responses, and to identify research needs to fill gaps in our understanding. Here we focus on potential changes in streamflow, water temperature, and salt water intrusion (SWI). Projected changes in the volume and timing of streamflow vary regionally, with general increases in northern and eastern regions of the U.S., and decreases in the southern Plains, interior Southwest, and parts of the Southeast. Water temperatures have increased throughout the U.S. and are expected to continue to increase in the future, with the greatest changes in locations where high summer air temperatures occur together with low streamflow volumes. In coastal areas, especially the mid‐Atlantic and Gulf coasts, SWI to rivers and aquifers could be exacerbated by sea level rise, storm surges, and altered freshwater runoff. Management responses for reducing risks to water quality should consider strategies and practices robust to a range of potential future conditions.

Paul, Michael J.↗
DOE OSTI2020

The Water‐Year Water Balance of the Colorado River Basin

Abstract Model‐estimated monthly water balance components (i.e., potential evapotranspiration, actual evapotranspiration, and runoff ( R )) for 146 United States (U.S.) Geological Survey 8‐digit hydrologic units located in the Colorado River Basin (CRB) are used to examine the temporal and spatial variability of the CRB water balance for water years 1901 through 2014 (a water year is the period from October 1 of one year through September 30 of the following year). Results indicate that the CRB can be divided into six subregions with similar temporal variability in monthly R . The water balance analyses indicated that approximately 75% of total water‐year R is generated by just one CRB subregion and that most of the R in the basin is derived from surplus ( S ) water generated during the months of October through April. Furthermore, the analyses show that temporal variability in S is largely controlled by the occurrence of negative atmospheric pressure anomalies over the northwestern conterminous U.S. (CONUS) and positive atmospheric pressure anomalies over the southeastern CONUS. This combination of atmospheric pressure anomalies results in an anomalous flow of moist air from the North Pacific Ocean into the CRB, particularly the Upper CRB. Additionally, the occurrence of extreme dry and wet periods in the CRB appears to be related to variability of the Atlantic Multidecadal Oscillation and the Pacific Decadal Oscillation.

McCabe, Gregory J.↗
DOE OSTI2021

Evolution of water structures in metal-organic frameworks for improved atmospheric water harvesting

Designing water uptake Although the locations of water molecules in some porous materials have been determined with diffraction techniques, determining the filling sequence of water sites has been challenging. Hanikel et al . used single-crystal x-ray diffraction to locate all of the water molecules in pores of the metal-organic framework MOF-303 at different water loadings (see the Perspective by Öhrström and Amombo Noa). They used this information on the water molecule adsorption sequence to modify the linkers of this MOF and control the water-harvesting properties from humid air for different temperature regimes. —PDS

Science & Technology - Other Topics↗
DOE OSTI2014

The functional potential of microbial communities in hydraulic fracturing source water and produced water from natural gas extraction characterized by metagenomic sequencing

Microbial activity in produced water from hydraulic fracturing operations can lead to undesired environmental impacts and increase gas production costs. However, the metabolic profile of these microbial communities is not well understood. Here, for the first time, we present results from a shotgun metagenome of microbial communities in both hydraulic fracturing source water and wastewater produced by hydraulic fracturing. Taxonomic analyses showed an increase in anaerobic/facultative anaerobic classes related to Clostridia , Gammaproteobacteria , Bacteroidia and Epsilonproteobacteria in produced water as compared to predominantly aerobic Alphaproteobacteria in the fracturing source water. Thus, the metabolic profile revealed a relative increase in genes responsible for carbohydrate metabolism, respiration, sporulation and dormancy, iron acquisition and metabolism, stress response and sulfur metabolism in the produced water samples. These results suggest that microbial communities in produced water have an increased genetic ability to handle stress, which has significant implications for produced water management, such as disinfection.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Innovative Water Management Technology to Reduce Environmental Impacts of Produced Water

Clemson University with Chevron as an industry partner developed and applied treatment technology using constructed wetland systems to decrease targeted constituents in simulated and actual produced waters to achieve reuse criteria and discharge limits. Pilot-scale and demonstration constructed wetland treatment system (CWTS) experiments led to design strategies for treating a variety of constituents of concern (COCs) in produced waters including divalent metals, metalloids, oil and grease, and ammonia. Targeted biogeochemical pathways for treatment of COCs in pilot-scale CWTS experiments included divalent metal sulfide precipitation through dissimilatory sulfate reduction, metal precipitation through oxidation, reduction of selenite to insoluble elemental selenium, aerobic biodegradation of oil, nitrification of ammonia to nitrate, denitrification of nitrate to nitrogen gas, separation of oil using an oilwater separator, and sorption of ammonia to zeolite. Treatment performance results indicated that CWTSs can be designed and built to promote specific environmental and geochemical conditions in order for targeted biogeochemical pathways to operate. The demonstration system successfully achieved consistent removal extents even while inflow concentrations of COCs in the produced water differed by orders of magnitude. Design strategies used in the pilot-scale and demonstration CWTSs to promote specific conditions that can be applied to designing full-scale CWTSs include plant and soil selection, water-depth selection, addition of amendments, and hydraulic retention time (HRT). These strategies allow conditions within a CWTS to be modified to achieve ranges necessary for the preferred biogeochemical treatment pathways. In the case of renovating a produced water containing COCs that require different biogeochemical pathways for treatment, a CWTS can be designed with sequential cells that promote different conditions. For example, the pilot-scale CWTS for post-reverse osmosis produced water was designed to promote oxidizing conditions within the first wetland cell for nitrification of ammonia, and the subsequent three cells were designed to promote reducing conditions for denitrification of nitrate. By incorporating multiple wetland cells in a CWTS, the conditions within each cell can be modified for removal of specific COCs. In addition, a CWTS designed with multiple cells allows for convenient sample collection points so that biogeochemical conditions of individual cells can be monitored and performance evaluated. Removal rate coefficients determined from the pilot-scale CWTS experiments and confirmed by the demonstration system can be used to calculate HRTs required to treat COCs in full-scale CWTSs. The calculated HRTs can then be used to determine the surface area or "footprint" of a full-size CWTS for a given inflow rate of produced water.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

General circulation models simulate negative liquid water path–droplet number correlations, but anthropogenic aerosols still increase simulated liquid water path

General circulation models' (GCMs) estimates of the liquid water path adjustment to anthropogenic aerosol emissions differ in sign from other lines of evidence. This reduces confidence in estimates of the effective radiative forcing of the climate by aerosol–cloud interactions (ERFaci). The discrepancy is thought to stem in part from GCMs' inability to represent the turbulence–microphysics interactions in cloud-top entrainment, a mechanism that leads to a reduction in liquid water in response to an anthropogenic increase in aerosols. In the real atmosphere, enhanced cloud-top entrainment is thought to be the dominant adjustment mechanism for liquid water path, weakening the overall ERFaci. We show that the latest generation of GCMs includes models that produce a negative correlation between the present-day cloud droplet number and liquid water path, a key piece of observational evidence supporting liquid water path reduction by anthropogenic aerosols and one that earlier-generation GCMs could not reproduce. However, even in GCMs with this negative correlation, the increase in anthropogenic aerosols from preindustrial to present-day values still leads to an increase in the simulated liquid water path due to the parameterized precipitation suppression mechanism. This adds to the evidence that correlations in the present-day climate are not necessarily causal. We investigate sources of confounding to explain the noncausal correlation between liquid water path and droplet number. These results are a reminder that assessments of climate parameters based on multiple lines of evidence must carefully consider the complementary strengths of different lines when the lines disagree.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1975

Water hyacinths for removal of phenols from polluted waters

Removal of phenol by water hyacinths (Eichhornia crassipes (Mart.) Solms) in static water was investigated. 2.75 g dry weight of this aquatic plant demonstrated the ability to absorb 100 mg of phenol per plant per 72 hours from distilled water, river water, and bayou water. One hectare of water hyacinth plants is shown to be potentially capable of removing 160 kg of phenol per 72 hours from waters polluted with this chemical.

Wolverton, B. C.↗
NASA NTRS1989

Airborne discrimination between ice and water - Application to the laser measurement of chlorophyll-in-water in a marginal ice zone

The concurrent active-passive measurement capabilities of the NASA Airborne Oceanographic Lidar have been used to (1) discriminate between ice and water in a large ice field within the Greenland Sea and (2) achieve the detection and measurement of chlorophyll-in-water by laser-induced and water-Raman-normalized pigment fluorescence. Passive upwelled radiances from sea ice are significantly stronger than those from the neighboring water, even when the optical receiver field-of-view is only partially filled with ice. Thus, weaker passive upwelled radiances, together with concurrently acquired laser-induced spectra, can rather confidently be assigned to the intervening water column. The laser-induced spectrum can then be processed using previously established methods to measure the chlorophyll-in-water concentration. Significant phytoplankton patchiness and elevated chlorophyll concentrations were found within the waters of the melting ice compared to ice-free regions just outside the ice field.

Hoge, Frank E.↗
NASA NTRS1992

A systems approach to water recovery testing for space life support - Initial biomedical results from the ECLSS Water Recovery Test and plans for testbed utilization

Among the challenges of designing and constructing Space Station Freedom is the development of the water system. A review of past efforts in reclaiming waste water in enclosed environments reveals that there are many gaps in the biomedical understanding of this process. Some of the key uncertainties of human interaction with a closed water system include determining potential contaminants and establishing safe levels of multiple compounds in the enclosed system of Space Station. Another uncertainty is the microbial constituency of such a system and what impact it could have on crew health and performance. The use of iodine as the passive biocide may have both an indirect and direct impact on the crew. In this paper the initial results of the Water Recovery Test are reviewed from a biomedical perspective, revealing areas where more information is needed to develop the ECLSS water system. By including the approach of 'man as a subsystem', consideration is given to how man interacts with the total water system. Taking this systems approach to providing the crew with a safe source of water gives useful insight into the most efficient design and utilization of closed system testbeds.

Aten, Laurie A.↗
NASA NTRS1951

Analysis of thrust augmentation of turbojet engines by water injection at compressor inlet including charts for calculating compression processes with water injection

A psychrometric chart having total pressure (sum of partial pressures of air and water vapor) as a variable, a Mollier diagram for air saturated with water vapor, and charts showing the thermodynamic properties of various air-water vapor and exhaust gas-water vapor mixtures are presented as aids in calculating the thrust augmentation of a turbojet engine resulting from the injection of water at the compressor inlet. Curves are presented that show the theoretical performance of the augmentation method for various amounts of water injected and the effects of varying flight Mach number, altitude, ambient-air temperature, ambient relative humidity, compressor pressure ratio, and inlet-diffuser efficiency. Numerical examples, illustrating the use of the psychrometric chart and the Mollier diagram in calculating both compressor-inlet and compressor-outlet conditions when water is injected at the compressor inlet, are presented.

Wilcox, E Clinton↗
NASA NTRS1996

Excess chemical potential of small solutes across water--membrane and water--hexane interfaces

The excess chemical potentials of five small, structurally related solutes, CH4, CH3F, CH2F2, CHF3, and CF4, across the water-glycerol 1-monooleate bilayer and water-hexane interfaces were calculated at 300, 310, and 340 K using the particle insertion method. The excess chemical potentials of nonpolar molecules (CH4 and CF4) decrease monotonically or nearly monotonically from water to a nonpolar phase. In contrast, for molecules that possess permanent dipole moments (CH3F, CH2F, and CHF3), the excess chemical potentials exhibit an interfacial minimum that arises from superposition of two monotonically and oppositely changing contributions: electrostatic and nonelectrostatic. The nonelectrostatic term, dominated by the reversible work of creating a cavity that accommodates the solute, decreases, whereas the electrostatic term increases across the interface from water to the membrane interior. In water, the dependence of this term on the dipole moment is accurately described by second order perturbation theory. To achieve the same accuracy at the interface, third order terms must also be included. In the interfacial region, the molecular structure of the solvent influences both the excess chemical potential and solute orientations. The excess chemical potential across the interface increases with temperature, but this effect is rather small. Our analysis indicates that a broad range of small, moderately polar molecules should be surface active at the water-membrane and water-oil interfaces. The biological and medical significance of this result, especially in relation to the mechanism of anesthetic action, is discussed.

NASA Center ARC↗
NASA NTRS2006

Determination of Ice Water Path in Ice-over-Water Cloud Systems Using Combined MODIS and AMSR-E Measurements

To provide more accurate ice cloud properties for evaluating climate models, the updated version of multi-layered cloud retrieval system (MCRS) is used to retrieve ice water path (IWP) in ice-over-water cloud systems over global ocean using combined instrument data from the Aqua satellite. The liquid water path (LWP) of lower layer water clouds is estimated from the Advanced Microwave Scanning Radiometer for EOS (AMSR-E) measurements. With the lower layer LWP known, the properties of the upper-level ice clouds are then derived from Moderate Resolution Imaging Spectroradiometer measurements by matching simulated radiances from a two-cloud layer radiative transfer model. Comparisons with single-layer cirrus systems and surface-based radar retrievals show that the MCRS can significantly improve the accuracy and reduce the over-estimation of optical depth and ice water path retrievals for ice over-water cloud systems. During the period from December 2004 through February 2005, the mean daytime ice cloud optical depth and IWP for overlapped ice-over-water clouds over ocean from Aqua are 7.6 and 146.4 gm(sup -2), respectively, significantly less than the initial single layer retrievals of 17.3 and 322.3 gm(sup -2). The mean IWP for actual single-layer clouds was 128.2 gm(sup -2).

Huang, Jianping↗
NASA NTRS2011

Design and Evaluation of a Water Recirculation Loop Maintenance Device for the Advanced Spacesuit Water Membrane Evaporator

A dual-bed device to maintain the water quality of the Advanced Spacesuit Water Membrane Evaporation (SWME) water recirculation loop has been designed and is undergoing testing. 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 development of a water recirculation maintenance device is 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 Hamilton Sundstrand military application, and considered for a potential ISS application with the Urine Processor Assembly, provides 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 bed design further leverages a sorbent developed for ISS that introduces 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 clear 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.

Steele, John W.↗
NASA NTRS2012

Design and Evaluation of a Water Recirculation Loop Maintenance Device for the Advanced Spacesuit Water Membrane Evaporator

A dual-bed device to maintain the water quality of the Advanced Spacesuit Water Membrane Evaporation (SWME) water recirculation loop has been designed and is undergoing testing. 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 development of a water recirculation maintenance device is 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 Hamilton Sundstrand military application, and considered for a potential ISS application with the Urine Processor Assembly, provides 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 Transport Water Loop. The bed design further leverages a sorbent developed for the ISS that introduces a biocide in a microgravity-compatible manner for the Internal Active Thermal Control System. 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 crewed spaceflight Environmental Control and Life Support System hardware.

Steele, John W.↗
NASA NTRS2013

Performance of a Water Recirculation Loop Maintenance Device and Process for the Advanced Spacesuit Water Membrane Evaporator

A dual-bed device to maintain the water quality of the Advanced Spacesuit Water Membrane Evaporation (SWME) water recirculation loop has been designed and is undergoing testing. 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 development of a water recirculation maintenance device is 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 Hamilton Sundstrand military application, and considered for a potential ISS application with the Urine Processor Assembly, provides 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 bed design further leverages a sorbent developed for ISS that introduces 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.

Steele, John W.↗
NASA NTRS2014

A Novel Ion Exchange System to Purify Mixed ISS Waste Water Brines for Chemical Production and Enhanced Water Recovery

Current International Space Station water recovery regimes produce a sizable portion of waste water brine. This brine is highly toxic and water recovery is poor: a highly wasteful proposition. With new biological techniques that do not require waste water chemical pretreatment, the resulting brine would be chromium-free and nitrate rich which can allow possible fertilizer recovery for future plant systems. Using a system of ion exchange resins we can remove hardness, sulfate, phosphate and nitrate from these brines to leave only sodium and potassium chloride. At this point modern chlor-alkali cells can be utilized to produce a low salt stream as well as an acid and base stream. The first stream can be used to gain higher water recovery through recycle to the water separation stage while the last two streams can be used to regenerate the ion exchange beds used here, as well as other ion exchange beds in the ISS. Conveniently these waste products from ion exchange regeneration would be suitable as plant fertilizer. In this report we go over the performance of state of the art resins designed for high selectivity of target ions under brine conditions. Using ersatz ISS waste water we can evaluate the performance of specific resins and calculate mass balances to determine resin effectiveness and process viability. If this system is feasible then we will be one step closer to closed loop environmental control and life support systems (ECLSS) for current or future applications.

brine↗