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At least 145 records · Page 8

A Proton Channel Allows a Hydrogen Oxidation Catalyst to Operate at a Moderate Overpotential with Water Acting as a Base

Proton channels facilitate the movement of protons over large distances and are critical in many reactions, from controlling proton delivery in metalloenzymes[1] to moving protons through PEM fuel cells.[2] Hydrogenases are enzymes that use proton channels to deliver protons to or from the enzyme active site to achieve high rates of hydrogen production and oxidation at low overpotentials.[3] The [Ni(PR2NR’2)2]2+ series of complexes, which are functional mimics of the [FeFe]-hydrogenase active site, utilize pendant amines to move the proton to or from the Ni, resulting in some of the fastest synthetic catalysts for hydrogen production and oxidation reported.[4] While intramolecular proton movement has been shown to be facile,[5] deprotonation of hydrogen oxidation catalysts can be a slow step for catalysis.[6] Additionally, a stable H2 adduct (endo-endo) is formed which, if bypassed, could contribute to an overall enhanced rate (Figure 1). A proton channel may aid in addressing these outstanding issues, and the well-studied nature of these catalysts allows them to serve as a platform to investigate the role of a proton channel in solving these problems. To this end we added a second proton relay to this complex, which we demonstrate serves two purposes: we show that the second proton relay facilitates rapid proton transfer, altering the kinetic products formed following H2 addition, and avoiding the low energy endo-endo intermediate. It also aids in lowering the overpotential at which the catalyst operates using water as a base, demonstrating the multi-functional role of a proton channel in molecular catalysts, and possibly in enzymes. This work was supported by the US Department of Energy, Early Career Research Program, Basic Energy Sciences, Chemical Sciences, Geosciences & Biosciences Division and by the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

amino acid catalysts↗

Some aspects of analytical chemistry as applied to water quality assurance techniques for reclaimed water: The potential use of X-ray fluorescence spectrometry for automated on-line fast real-time simultaneous multi-component analysis of inorganic pollutants in reclaimed water

The potential use of isotopically excited energy dispersive X-ray fluorescence (XRF) spectrometry for automated on line fast real time (5 to 15 minutes) simultaneous multicomponent (up to 20) trace (1 to 10 parts per billion) analysis of inorganic pollutants in reclaimed water was examined. Three anionic elements (chromium 6, arsenic and selenium) were studied. The inherent lack of sensitivity of XRF spectrometry for these elements mandates use of a preconcentration technique and various methods were examined, including: several direct and indirect evaporation methods; ion exchange membranes; selective and nonselective precipitation; and complexation processes. It is shown tha XRF spectrometry itself is well suited for automated on line quality assurance, and can provide a nondestructive (and thus sample storage and repeat analysis capabilities) and particularly convenient analytical method. Further, the use of an isotopically excited energy dispersive unit (50 mCi Cd-109 source) coupled with a suitable preconcentration process can provide sufficient sensitivity to achieve the current mandated minimum levels of detection without the need for high power X-ray generating tubes.

Ling, A. C.↗

Shoshone River Water Resources II​: Quantifying Sediment Input in the Shoshone River in Wyoming using the Soil and Water Assessment Tool for Enhanced Water Quality Monitoring

The Willwood Dam, an irrigation diversion dam located on the Shoshone River (Wyoming, USA), has faced ongoing issues with sediment accumulation and needs frequent sediment flushing to remain operable. However, high suspended sediment levels during flushing events have negatively impacted downstream aquatic ecology and recreational opportunities. To address these problems, DEVELOP partnered with the Wyoming Department of Environmental Quality, Shoshone River Partners, and United States Geologic Survey. During term one, the team developed a workflow to map turbidity using PlanetScope imagery, analyze time series precipitation data, and create landcover maps. For this term, we focused on three methods to gain a better understanding of sediment sources: 1) improving remote sensing of turbidity, 2) modeling sediment transport within the watershed using the Soil and Water Assessment Tool (SWAT), and 3) conducting a snow cover time series analysis using Suomi NPP VIIRS imagery. Through remote sensing, we found Dry Creek/Homesteader Creek and Penney Gulch/Rough Gulch had the highest concentration sediment plumes. The SWAT+ model created a high-resolution grid model of the watershed, identifying high sedimentation in the western and southern subbasins but displayed low-correlated calibration and validation results due to limited observed data. We analyzed the snow cover extent alongside other hydrologic variables and found that snow melt events correlated with increases in suspended sediment concentration and turbidity values. Coupling remote sensing with hydrological modeling will give watershed managers a new perspective on high-priority regions for implementation of remediation to reduce the sediment build-up at the Willwood Dam.

Suspended Sediment↗

Methods for making bifunctional porous non-noble metal phosphide catalyst for overall water splitting, electrodes for overall water splitting, and methods for electrocatalytic water splitting

A method of manufacturing a bifunctional electrocatalyst for overall water splitting comprising oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) by growing electrocatalyst comprising primarily metallic phosphides on a three-dimensional substrate by: immersing the substrate in an iron nitrate solution to form a once disposed substrate; subjecting the once disposed substrate to thermal phosphidation with phosphorus powder under inert gas to grow metal phosphides thereupon and form a once subjected substrate; cooling the once subjected substrate to form a cooled, once subjected substrate; immersing the cooled, once subjected substrate in an iron nitrate solution to form a twice disposed substrate; and subjecting the twice disposed substrate to thermal phosphidation with phosphorus powder under inert gas to provide an electrode comprising the bifunctional electrocatalyst on the three-dimensional substrate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling Global Water Use for the 21st Century: Water Futures and Solutions (WFaS) Initiative and Its Approaches

To sustain growing food demand and increasing standard of living, global water use increased by nearly 6 times during the last 100 years, and continues to grow. As water demands get closer and closer to the water availability in many regions, each drop of water becomes increasingly valuable and water must be managed more efficiently and intensively. However, soaring water use worsens water scarcity conditions already prevalent in semi-arid and arid regions, increasing uncertainty for sustainable food production and economic development. Planning for future development and investments requires that we prepare water projections for the future. However, estimations are complicated because the future of the world's waters will be influenced by a combination of environmental, social, economic, and political factors, and there is only limited knowledge and data available about freshwater resources and how they are being used. The Water Futures and Solutions (WFaS) initiative coordinates its work with other ongoing scenario efforts for the sake of establishing a consistent set of new global water scenarios based on the shared socio-economic pathways (SSPs) and the representative concentration pathways (RCPs). The WFaS "fast track" assessment uses three global water models, namely H08, PCR-GLOBWB, and WaterGAP. This study assesses the state of the art for estimating and projecting water use regionally and globally in a consistent manner. It provides an overview of different approaches, the uncertainty, strengths and weaknesses of the various estimation methods, types of management and policy decisions for which the current estimation methods are useful. We also discuss additional information most needed to be able to improve water use estimates and be able to assess a greater range of management options across the water-energy-climate nexus.

soaring↗

Using naturally occurring radionuclides to determine drinking water age in a community water system

Drinking water quality in a community water system is closely linked to the age of water from initial treatment to time of delivery. However, water age is difficult to measure with conventional chemical tracers; particularly in stagnant water, where the relationship between disinfectant decay, microbial growth, and water age is poorly understood. Using radionuclides that were naturally present in source water, we found that measured activity ratios of 90 Y/ 90 Sr and 234 Th/ 238 U in discrete drinking water samples of known age accurately estimated water age up to 9 days old (σ est : ± 3.8 h, P < 0.0001, r 2 = 0.998, n = 11) and 25 days old (σ est : ± 13.3 h, P < 0.0001, r 2 = 0.996, n = 12), respectively. Moreover, 90 Y-derived water ages in a community water system (6.8 × 10 4 m 3 d –1 capacity) were generally consistent with water ages derived from an extended period simulation model. Radionuclides differ from conventional chemical tracers in that they are ubiquitous in distribution mains and connected premise plumbing. The ability to measure both water age and an analyte (e.g., chemical or microbe) in any water sample at any time allows for new insight into factors that control drinking water quality.

54 ENVIRONMENTAL SCIENCES↗

Reuse of Produced Water from CO 2 Enhanced Oil Recovery, Coal-Bed Methane, and Mine Pool Water by Coal-Based Power Plants

Power generation in the Illinois Basin is expected to increase by as much as 30% by the year 2030, and this would increase the cooling water consumption in the region by approximately 40%. This project investigated the potential use of produced water from CO 2 enhanced oil recovery (CO 2 -EOR) operations; coal-bed methane (CBM) recovery; and active and abandoned underground coal mines for power plant cooling in the Illinois Basin. Specific objectives of this project were: (1) to characterize the quantity, quality, and geographic distribution of produced water in the Illinois Basin; (2) to evaluate treatment options so that produced water may be used beneficially at power plants; and (3) to perform a techno-economic analysis of the treatment and transportation of produced water to thermoelectric power plants in the Illinois Basin. Current produced water availability within the basin is not large, but potential flow rates up to 257 million liters per day (68 million gallons per day (MGD)) are possible if CO 2 -enhanced oil recovery and coal bed methane recovery are implemented on a large scale. Produced water samples taken during the project tend to have dissolved solids concentrations between 10 and 100 g/L, and water from coal beds tends to have lower TDS values than water from oil fields. Current pretreatment and desalination technologies including filtration, adsorption, reverse osmosis (RO), and distillation can be used to treat produced water to a high quality level, with estimated costs ranging from $2.6 to $10.5 per cubic meter ($10 to $40 per 1000 gallons). Because of the distances between produced water sources and power plants, transportation costs tend to be greater than treatment costs. An optimization algorithm was developed to determine the lowest cost pipe network connecting sources and sinks. Total water costs increased with flow rate up to 26 million liters per day (7 MGD), and the range was from $4 to $16 per cubic meter ($15 to $60 per 1000 gallons), with treatment costs accounting for 13-23% of the overall cost. Results from this project suggest that produced water is a potential large source of cooling water, but treatment and transportation costs for this water are large.

20 FOSSIL-FUELED POWER PLANTS↗

Assessing Cyanobacterial Frequency and Abundance at Surface Waters Near Drinking Water Intakes Across the United States

This study presents the first large-scale assessment of cyanobacterial frequency and abundance of surface water near drinking water intakes across the United States. Public water systems serve drinking water to nearly 90% of the United States population. Cyanobacteria and their toxins may degrade the quality of finished drinking water and can lead to negative health consequences. Satellite imagery can serve as a cost-effective and consistent monitoring technique for surface cyanobacterial blooms in source waters and can provide drinking water treatment operators information for managing their systems. This study uses satellite imagery from the European Space Agency’s Ocean and Land Colour Instrument (OLCI) spanning June 2016 through April 2020. At 300-m spatial resolution, OLCI imagery can be used to monitor cyanobacteria in 685 drinking water sources across 285 lakes in 44 states, referred to here as resolvable drinking water sources. First, a subset of satellite data was compared to a subset of responses (n = 84) submitted as part of the U.S. Environmental Protection Agency’s fourth Unregulated Contaminant Monitoring Rule (UCMR 4). These UCMR 4 qualitative responses included visual observations of algal bloom presence and absence near drinking water intakes from March 2018 through November 2019. Overall agreement between satellite imagery and UCMR 4 qualitative responses was 94% with a Kappa coefficient of 0.70. Next, temporal frequency of cyanobacterial blooms at all resolvable drinking water sources was assessed. In 2019, bloom frequency averaged 2% and peaked at 100%, where 100% indicated a bloom was always present at the source waters when satellite imagery was available. Monthly cyanobacterial abundances were used to assess short-term trends across all resolvable drinking water sources and effect size was computed to provide insight on the number of years of data that must be obtained to increase confidence in an observed change. Generally, 2016-2020 was an insufficient time period for confidently observing changes at these source waters; on average, a decade of satellite imagery would be required for observed environmental trends to outweigh variability in the data. However, five source waters did demonstrate a sustained short-term trend, with one increasing in cyanobacterial abundance from June 2016 to April 2020 and four decreasing.

remote sensing↗

Weak interactions between water and clathrate-forming gases at low pressures

Using scanning probe microscopy and temperature programed desorption we examined the interaction between water and two common clathrate-forming gases, methane and isobutane, at low temperature and low pressure. Water co-deposited with up to 10-1 mbar methane or 10-5 mbar isobutane at 140 K onto a Pt(111) substrate yielded pure crystalline ice, i.e., the exposure to up to ~107 gas molecules for each deposited water molecule did not have any detectable effect on the growing films. Exposing metastable, less than 2 molecular layers thick, water films to 10-5 mbar methane does not alter their morphology, suggesting that the presence of the Pt(111) surface is not a strong driver for hydrate formation. This weak water-gas interaction at low pressures is supported by our thermal desorption measurements from amorphous solid water and crystalline ice where 1 ML of methane desorbs near ~43 K and isobutane desorbs near ~100 K. Similar desorption temperatures were observed for desorption from amorphous solid water.

Clathrates↗

Pitch Variation Experiments in Water-Moderated Square-Pitched U(6.90)O 2 Fuel Rod Lattices with Fuel to Water Volume Ratios Spanning 0.08 to 0.67

The twenty-seven critical experiments in this series were performed in 2020 in the SCX at the Sandia Pulsed Reactor Facility. The experiments are grouped by fuel rod pitch. Case 1 is a base case with a pitch of 0.8001 cm and no water holes in the array. Cases 2 through 6 have the same pitch as Case 1 but contain various configurations with water holes, providing slight variations in the fuel-to-water ratio. Similarly, Case 7 is a base case with a pitch of 0.854964 cm and no water holes in the array. Cases 8 through 11 have the same pitch as Case 7 but contain various configurations with water holes. Cases 12 through 15 have a pitch of 1.131512 cm and differ according to the number of water holes in the array, with Case 12 having no water holes. Cases 16 through 19 have a pitch of 1.209102 cm and differ according to number of water holes in the array, with Case 16 having no water holes. Cases 20 through 23 have a pitch of 1.6002 cm and differ according to number of water holes in the array, with Case 20 having no water holes. Cases 24 through 27 have a pitch of 1.709928 cm and differ according to number of water holes in the array, with Case 24 having no water holes. As the experiment case number increases, the fuel-to-water volume ratio decreases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The Urban Energy-Water Nexus: Utility-Level Water Flows and Embedded Energy

There are limited open source data available for determining water production/treatment and required energy for cities across the United States. This database represents the culmination of a two-year effort to obtain data from cities across the United States via open records requests in order to determine the state of the U.S. urban energy-water nexus. Data were requested at the daily or monthly scale when available for 127 cities across the United States, represented by 253 distinct water and sewer districts. Data were requested from cities larger than 100,000 people and from each state. In the case of states that did not have cities that met these criteria, the largest cities in those states were selected. The resulting database represents a drinking water service population of 81.4 million and a wastewater service population of 86.2 million people. Average daily demands for the United States were calculated to be 560 liters per capita for drinking water and 500 liters per capita of wastewater. The embedded energy within each of these resources is 340 kWh/1000 m3 and 430 kWh/1000 m3, respectively. Drinking water data at the annual scale are available for production volume (89 cities) and for embedded energy (73 cities). Annual wastewater data are available for treated volume (104 cities) and embedded energy (90 cities). Monthly data are available for drinking water volume and embedded energy (73 and 56 cities) and wastewater volume and embedded energy (88 and 70 cities). Please see the two related papers for this metadata are included with this submission. Each folder name is a city that contributed data to the collection effort (City+State Abbreviation). Within each folder is a .csv file with drinking water and wastewater volume and energy data. A READ-ME file within each folder details the contents of the folder within any relevant information pertaining to data collection. Data are on the order of a monthly timescale when available, and yearly if not. Please cite the following papers when using the database: Chini, C.M. and Stillwell, A.S. (2017). The State of U.S. Urban Water: Data and the Energy-Water Nexus. Water Resources Research. 54(3). DOI: https://doi.org/10.1002/2017WR022265 Chini, C.M., and Stillwell, A. (2016). Where are all the data? The case for a comprehensive water and wastewater utility database. Journal of Water Resources Planning and Management. 143(3). DOI: 10.1061/(ASCE)WR.1943-5452.0000739

29 ENERGY PLANNING, POLICY, AND ECONOMY↗