Ultrafast nonthermal heating of water initiated by an X-ray Free-Electron Laser
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99 GENERAL AND MISCELLANEOUS↗
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Structural changes across thermodynamic maxima in supercooled liquid tellurium: a water-like scenario
Liquid polymorphism is an intriguing phenomenon which has been found in a few single-component systems, the most famous being water. By supercooling liquid Te to more than 130 K below its melting point and performing simultaneous small-angle and wide-angle X-ray scattering measurements, we observe clear maxima in its thermodynamic response functions around 615 K, suggesting the possible existence of liquid polymorphism. A close look at the underlying structural evolution shows the development of intermediate-range order upon cooling, most strongly around the thermodynamic maxima, which we attribute to bond-orientational ordering. The striking similarities between our results and those of water, despite the lack of hydrogen-bonding and tetrahedrality in tellurium, indicate that water-like anomalies may be a general phenomenon among liquid systems with competing bond- and density-ordering.
36 MATERIALS SCIENCE↗
Quantum Tunneling of Water in Beryl. A New State of the Water Molecule
When using neutron scattering and ab initio simulations, we document the discovery of a new “quantum tunneling state” of the water molecule confined in 5 Å channels in the mineral beryl, characterized by extended proton and electron delocalization. We observed a number of peaks in the inelastic neutron scattering spectra that were uniquely assigned to water quantum tunneling. Additionally, the water proton momentum distribution was measured with deep inelastic neutron scattering, which directly revealed coherent delocalization of the protons in the ground state.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Resolving the Solvation Structure and Transport Properties of Aqueous Zinc Electrolytes from Salt-in-Water to Water-in-Salt Using Neural Network Potential
Zn Cl 2 solutions are promising electrolytes for aqueous zinc-ion batteries. Here, we report a joint computational and experimental study of the structural and dynamic properties of aqueous Zn Cl 2 electrolytes with concentrations ranging from salt-in-water to water-in-salt (WIS). By developing a neural network potential (NNP) model, we perform molecular dynamics (MD) simulations with accuracy but at much larger lengths and longer timescales. The NNP predicted structures are validated by the structure factors measured by X-ray total scattering experiments. The MD trajectories provide a comprehensive and quantitative picture of the Zn 2 + solvation shell structures. Additionally, we find that the O − H covalent bonds in water are strengthened with increasing salt concentration, thus expanding the electrochemical stability window of aqueous electrolytes. In terms of dynamic properties, the calculated and experimentally measured conductivities are in good agreement. Through the analysis of the calculated cation transference number, we propose a three-stage charge carrier transport mechanism with increasing concentration: independent ion transport, strongly correlated ion transport, and small positive charge carrier diffusion through negatively charged polymeric clusters. Our study provides fundamental atomic scale insights into the structure and transport properties of the Zn Cl 2 electrolyte that can aid the optimization and development of WIS electrolytes. Published by the American Physical Society 2025
25 ENERGY STORAGE↗
An Improved Liquid Water Absorption Model at Microwave Frequencies for Supercooled Liquid Water Clouds
An improved liquid water absorption model is developed for frequencies between 0.5 and 500 GHz. The empirical coefficients for this model were retrieved from a dataset that consists of both laboratory observations of the permittivity of liquid water (primarily at temperatures above 0 degrees C) and field observations collected by microwave radiometers in three separate locations with observations at temperatures as low as -32 degrees C. An optimal estimation framework is used to retrieve the model's coefficients. This framework shows that there is high information content in the observations for seven of the nine model coefficients, but that the uncertainties in all of the coefficients result in less than 15% uncertainty in the liquid water absorption coefficient for all temperatures between -32 degrees and 0 degrees C and frequencies between 23 and 225 GHz. Furthermore, this model is more consistent with both the laboratory and field observations over all frequencies and temperatures than other popular absorption models.
Turner, D. D.↗
Offsetting Water Requirements and Stress with Enhanced Water Recovery from CO 2 Storage
Carbon dioxide (CO 2 ) capture, utilization, and storage (CCUS) operations ultimately require injecting and storing CO 2 into deep saline aquifers. Reservoir pressure typically rises as CO 2 is injected increasing the cost and risk of CCUS and decreasing viable storage within the formation. Active management of the reservoir pressure through the extraction of brine can reduce the pressurization while providing a number of benefits including increased storage capacity for CO 2 , reduced risks linked to reservoir overpressure, and CO 2 plume management. Through enhanced water recovery (EWR), brine within the saline aquifer can be extracted and treated through desalination technologies which could be used to offset the water requirements for thermoelectric power plants or local water needs such as agriculture, or produce a marketable such as lithium through mineral extraction. This paper discusses modeled scenarios of CO 2 injection into the Rock Springs Uplift (RSU) formation in Wyoming with EWR. The Finite Element Heat and Mass Transfer Code (FEHM), developed by Los Alamos National Laboratory (LANL), was used to model CO 2 injection with brine extraction and the corresponding pressure tradeoffs. Scenarios were compared in order to analyze how pressure management through the quantity and location of brine extraction wells can increase CO 2 storage capacity and brine extraction while reducing risks associated with over pressurization. Future research will couple a cost-benefit analysis to these simulations in order to determine if the benefit of subsurface pressure management and increase CO 2 storage capacity can outweigh multiple extraction wells with increased cost of installation and maintenance as well as treatment and/or disposal of the extracted brine.
54 ENVIRONMENTAL SCIENCES↗
Evaluating the Techno-Economic Feasibility of Forward Osmosis Process Utilizing Low Grade Heat: Applications in Power Plant Water, Wastewater, and Reclaimed Water Treatment
Recovering and using uncoverted heat produced during electric power generation holds potential to significantly improve the efficiency of the electric power industry. One potential use of this low-temperature waste heat is on-site water treatment using waste heat driven processes to comply with the 2015 Effluent Limitation Guidelines for the Steam Electric Generating Sector. Ammonia-carbon dioxide forward osmosis (NH 4 HCO 3 FO) is a two-step waste heat driven process that involves a membrane separation process in which an osmotic pressure gradient created by an NH 4 HCO 3 draw solution is used to pull water across the membrane and a distillation column to regenerate the NH 4 HCO 3 draw solution. In this work we estimate the quantity, quality, and spatio-temporal availability of waste heat produced at U.S. coal, nuclear, and natural gas plants. We combine these estimates of waste heat availability with a techno-economic optimization model of NH 4 HCO 3 FO in order to assess the potential of NH 4 HCO 3 FO to treat flue gas desulfurization (FGD) wastewater, gasification wastewater, and boiler feedwater. We find that in 2012, 18.9 billion GJ of waste heat was discharged from the U.S. coal, natural gas, and nuclear fleet, although only 900 million GJ of waste heat was discharged at temperatures suitable for NH 4 HCO 3 FO. A maximum of 1.9 billion m3/yr of water could be produced using this waste heat to drive a NH 4 HCO 3 FO. The costs of waste heat driven NH 4 HCO 3 FO for FGD and gasification wastewater treatment to zero liquid discharge (ZLD) and boiler feedwater treatment are 2.20-2.40/m 3 and 0.35-0.65/m 3 , respectively. With mechanical vapor compression and crystallization for ZLD wastewater treatment and reverse osmosis for boiler feedwater treatment as the cost benchmark technologies, waste heat driven NH 4 HCO 3 FO is cost competitive for ZLD wastewater treatment, but not boiler feedwater treatment.
20 FOSSIL-FUELED POWER PLANTS↗
Advanced Modeling and Simulation to Characterize Advanced Boiling Water Reactor Source Terms to Support a Regulatory Approval Pathway for Right-Sized Emergency Planning Zone. Advanced Boiling Water Reactor (A-BWR) Project Phase 2
The United States Department of Energy (US DOE) is currently supporting the development of various small modular reactor (SMR), microreactor and advanced reactor designs. These reactors have improved safety features as compared to conventional Large Light Water Reactors (LLWRs), which include features that improve potential reduction of radiological source terms in the event of design and beyond-design basis accidents. Specifically, some reactors feature a relatively smaller containment volume with respect to the available surface area for fission product deposition; these include Integrated Pressurized Water Reactors (iPWRs), such as the NuScale SMR and SMR-type Boiling Water Reactors (BWRs) such as General Electric-Hitachi’s BWRX-300 design.
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
National Energy Water Treatment & Speciation (NEWTS): A Water & Critical Minerals Database and Dashboard
The poster, presented at the American Geophysical Union (AGU) 2023 Conference, highlights NETL's National Energy Water Treatment & Speciation (NEWTS) Database & Dashboard. This poster reviews the work done to aggregate disparate water quality data for energy-related wastewater streams, to process and integrate the datasets, and enable easy integration with aqueous chemistry modeling software to support water management and beneficial reuse decision-making.
Wenzlick, Madison↗
National Energy Water Treatment & Speciation (NEWTS): A Water & Critical Mineral Database and Dashboard
Presentation at Produced Water Society Conference 2024. National Energy Water Treatment & Speciation (NEWTS): A Water & Critical Mineral Database and Dashboard.
Siefert, Nicholas↗
Passive Detection of Phosphorus in Agricultural Tile Waters Using Reactive Hybrid Anion Exchange Resins
Abstract not provided
Li, Zhe↗
Immersion freezing of water and aqueous ammonium sulfate droplets initiated by humic-like substances as a function of water activity
Immersion freezing of water and aqueous (NH 4 ) 2 SO 4 droplets containing leonardite (LEO) and Pahokee peat (PP) serving as surrogates for humic-like substances (HULIS) has been investigated. Organic aerosol containing HULIS are ubiquitous in the atmosphere; however, their potential for ice cloud formation is uncertain. Immersion freezing has been studied for temperatures as low as 215K and solution water activity, a w , from 0.85 to 1.0. The freezing temperatures of water and aqueous solution droplets containing LEO and PP are 5–15 K warmer than homogeneous ice nucleation temperatures. Heterogeneous freezing temperatures can be represented by a horizontal shift of the ice melting curve as a function of solution aw by Δ a w = 0.2703 and 0.2466, respectively. Corresponding heterogeneous ice nucleation rate coefficients, Jhet, are (9.6 ± 2.5) × 10 4 and (5.4 ± 1.4) × 10 4 cm -2 s -1 for LEO and PP containing droplets, respectively, and remain constant along freezing curves characterized by Δ a w . Consequently predictions of freezing temperatures and kinetics can be made without knowledge of the solute type when relative humidity and ice nuclei (IN) surface areas are known. The acquired ice nucleation data are applied to evaluate different approaches to fit and reproduce experimentally derived frozen fractions. In addition, we apply a basic formulation of classical nucleation theory (α( T )-model) to calculate contact angles and frozen fractions. Contact angles calculated for each ice nucleus as a function of temperature, α( T )-model, reproduce exactly experimentally derived frozen fractions without involving free-fit parameters. However, assigning the IN a single contact angle for the entire population (single-α model) is not suited to represent the frozen fractions. Application of α-PDF, active sites, and deterministic model approaches to measured frozen fractions yield similar good representations. Furthermore, when using a single parameterization of α-PDF or active sites distribution to fit all individual a w immersion freezing data simultaneously, frozen fraction curves are not reproduced. This implies that these fitting formulations cannot be applied to immersion freezing of aqueous solutions, and suggests that derived fit parameters do not represent independent particle properties. Thus, from fitting frozen fractions only, the underlying ice nucleation mechanism and nature of the ice nucleating sites cannot be inferred. In contrast to using fitted functions obtained to represent experimental conditions only, we suggest to use experimentally derived J het as a function of temperature and a w that can be applied to conditions outside of those probed in laboratory. Finally, this is because J het (T) is independent of time and IN surface areas in contrast to the fit parameters obtained by representation of experimentally derived frozen fractions.
54 ENVIRONMENTAL SCIENCES↗
A practical method of determining water current velocities and diffusion coefficients in coastal waters by remote sensing techniques
A simplified procedure is presented for determining water current velocities and diffusion coefficients. Dye drops which form dye patches in the receiving water are made from an aircraft. The changes in position and size of the patches are recorded from two flights over the area. The simplified data processing procedure requires only that the ground coordinates about the dye patches be determined at the time of each flight. With an automatic recording coordinatograph for measuring coordinates and a computer for processing the data, this technique provides a practical method of determining circulation patterns and mixing characteristics of large aquatic systems. This information is useful in assessing the environmental impact of waste water discharges and for industrial plant siting.
James, W. P.↗
Photometric and polarimetric mapping of water turbidity and water depth
A Digital Photometric Mapper (DPM) was used in the Fall of 1971 in an airborne survey of New York and Boston area waters to acquire photometric, spectral and polarimetric data. The object of this study is to analyze these data with quantitative computer processing techniques to assess the potential of the DPM in the measurement and regional mapping of water turbidity and depth. These techniques have been developed and an operational potential has been demonstrated. More emphasis is placed at this time on the methodology of data acquisition, analysis and display than on the quantity of data. The results illustrate the type, quantity and format of information that could be generated operationally with the DPM-type sensor characterized by high photometric stability and fast, accurate digital output. The prototype, single-channel DPM is suggested as a unique research tool for a number of new applications. For the operational mapping of water turbidity and depth, the merits of a multichannel DPM coupled with a laser system are stressed.
Halajian, J.↗
Water survey of Canada: Application for use of ERTS-A for retransmission of water resources data
The author has identified the following significant results. The fact that water resources data can be retransmitted from remote areas of Canada by polar orbiting spacecraft to users in population centers on a near real time basis reliably, accurately, and at relative low cost continues to be demonstrated. Over 60,000 transmissions from the nine data collection platforms installed at Water Survey of Canada gauging stations have been received. The stage and ice-out data retransmitted via ERTS-1 have been plotted on a chart record produced by a water stage servo-manometer installed on the Albany River. The stage increased smoothly until shortly after noon on May 19, 1974. During this time the indicator showed that the ice surface was intact. The stage then dropped sharply and the indicator read that the ice was out. The erratic chart trace after that was consistent with the assumption that the ice surface had broken up and that some short duration jams of broken ice were occurring.
Halliday, R. A.↗
Segregation of acid plume pixels from background water pixels, signatures of background water and dispersed acid plumes, and implications for calculation of iron concentration in dense plumes
Two files of data, obtained with a modular multiband scanner, for an acid waste dump into ocean water, were analyzed intensively. Signatures were derived for background water at different levels of effective sunlight intensity, and for different iron concentrations in the dispersed plume from the dump. The effect of increased sunlight intensity on the calculated iron concentration was found to be relatively important at low iron concentrations and relatively unimportant at high values of iron concentration in dispersed plumes. It was concluded that the basic equation for iron concentration is not applicable to dense plumes, particularly because lower values are indicated at the very core of the plume, than in the surrounding sheath, whereas radiances increase consistently from background water to dispersed plume to inner sheath to innermost core. It was likewise concluded that in the dense plume the iron concentration would probably best be measured by the higher wave length radiances, although the suitable relationship remains unknown.
Bahn, G. S.↗
Remote sensing of atmospheric water vapor, liquid water, and wind speed at the ocean surface by passive microwave techniques from the Nimbus 5 satellite
The microwave brightness temperature measurements for Nimbus 5 electrically scanned microwave radiometer (ESMR) and Nimbus-E microwave spectrometer (NEMS) are used to retrieve the atmospheric water vapor, liquid water, and wind speed by a quasi-statistical retrieval technique. It is shown that the brightness temperature can be utilized to yield these parameters under various weather conditions. Observations at 19.35, 22.235, and 31.4 GHz were input to the regression equations. The retrieved values of these parameters for portions of two Nimbus 5 orbits are presented. Then comparison between the retrieved parameters and the available observations on the total water vapor content and the surface wind speed are made.
Chang, A. T. C.↗