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Se is alpha Selenium-like structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three selenium hexamer molecules. Se is bonded in a water-like geometry to two equivalent Se atoms. Both Se–Se bond lengths are 2.39 Å.
SeAsF6SeClSeCl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four chloroselenurane molecules, four selenium molecules, four selenium dichloride molecules, and four AsF6 clusters. In each AsF6 cluster, As3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.80 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As3+ atom.
The goal of this final project report is to summarize the work conducted on project DE-FE0031555. In accordance with the Statement of Project Objectives (SOPO), the University of Kentucky Center for Applied Energy Research (UK CAER) (Recipient) developed a hybrid electrochemical-membrane technology for treating wet flue gas desulfurization (WFGD) blowdown from coal-fired power generation plants that (1) removes government-regulated species and total suspended solids (TSS) via electrocoagulation with solid/liquid separation to avoid further treatments by a biological method specifically for selenium, and (2) reduces total dissolved solids (TDS) in a nanofiltration unit to promote water recycle and reduce freshwater intake. Additional technological configurations were pursued, including (1) nanofiltration combined with zeolite dewatering for a near-zero liquid discharge (ZLD) scenario, and (2) polishing discharge from zeolite dewatering using capacitive deionization (CDI) with 90+% salt rejection to produce water with less than 100ppm TDS for more beneficial use. Project results verified that UK CAER’s hybrid approach addressed the complexities of WFGD blowdown with simplified unit operation at relatively low capital investment by demonstrating: (1) an effective in-situ generated solid sorbent material, green-rust (GR), that specifically removes regulated dissolved species in WFGD blowdown, including selenium, arsenic, and nitrates; (2) a low-cost, high flux nanofiltration treatment that removes both monovalent and divalent species at >80% rejection to adequately provide water recycle and extend the life of FGD equipment by mitigating chloride aided pitting corrosion mechanisms; and (3) a solidification and stabilization process using pozzolanic agents that retain regulated species and satisfy the Resource Conservation and Recovery Act (RCRA) leachate requirements. UK CAER proved electrocoagulation with GR to be an intensified solution for effluent limit guidelines (ELG), and based on preliminary techno-economic analysis (TEA), in comparison to DOE’s Case 1 for Biological Wastewater Treatment that had a purchased equipment cost (PEC) of $\$$5.26 million and a Total plant cost (TPC) of $\$$30.0 million, the EC process had a PEC of $\$$2.67 million and the TPC of $\$$17.0 million. While the electricity consumption for Case 1 was 53 kW, it was 110 kW for the EC process due to dissolving iron for a three-stage reaction design. However, electricity consumption for the EC process could be significantly reduced by adopting a counter-current reactor design for at least a 6-stage chemical reaction operation.
Coal Combustion Residual (CCR) landfills in the U.S. can lead to elevated contaminant concentrations in groundwater and runoff, particularly of arsenic, boron, and selenium. Zeolites can be readily synthesized from materials contained within the coal combustion ash impoundments and can be cation-exchanged to enhance adsorption capacity, selectivity, and reactivity. However, the optimization of zeolites becomes a daunting task when accounting for the variety of Si:Al ratios, the species of extra-framework cations present, and the zeolite pore structure. Molecular simulations provide methods to study and guide the design of zeolites for the sorption of contaminants from aqueous solution. In this work, models that predict the sorption of arsenic, boron, and selenium from water using cation-exchanged zeolites. Because of the lack of experimental adsorption data for these species of contaminants, models were parametrized to reproduce the results of first-principles calculations and then used to predict sorption for zeolites for a dataset containing 6000 combinations of zeolites and sorption conditions. Machine learning was used to train a model to predict sorption for materials in this database based on the results of the molecular simulations. Next, a genetic algorithm was used to optimize zeolites for the removal of each contaminant from aqueous solution for individual impoundment sites based on contaminant concentrations reported by the Electric Power Research Institute.
Rogers Quarry (RQ) has a history of elevated selenium (Se) concentrations in water and fish caused by inputs from the Y-12 National Security Complex Filled Coal Ash Pond (FCAP). Selenium is acutely toxic at high concentrations, and chronic toxicity occurs at low aqueous concentrations because Se bioaccumulates in fish tissues. The US Environmental Protection Agency (EPA) recently developed water quality criteria for Se that include fish tissue as well as aqueous Se concentrations. The water column concentration criterion is 1.5 µg L -1 for lentic ecosystems and 3.1 µg L -1 for lotic ecosystems. The fish tissue criteria include both an egg/ovary concentration (15.1 µg/g dry weight) and a concentration for whole-body (8.5 µg/g dry weight) or fish muscle (11.3 µg/g dry weight). The egg/ovary criterion supersedes the fillet and aqueous concentrations if measured because Se toxicity manifests via reproductive effects in birds and fish. It is maternally transferred through eggs, leading to teratogenicity (i.e., deformities, developmental effects) in young fish. Historical bioaccumulation data suggest that Se is likely the primary contaminant of concern in RQ, but more recent sampling shows that aqueous As concentrations have been elevated in upper McCoy Branch (MB) leading to RQ. More recently, Se concentrations in fish collected from upper MB were found to be above the tissue criterion for Se for whole-body fish. In FY 2019, actions were taken to deepen the constructed wetland just downstream of the FCAP to increase its ability to remove coal ash particulates from the water column before water enters MB. Sampling was conducted throughout MB in FY 2020-2024 to evaluate the effectiveness of the actions taken in the FCAP wetland and to measure Se concentrations in biota throughout the watershed. The methods and results from a water and fish field collection campaign in April 2024 are presented in this report.
This paper provides a chronology and overview of events and policy initiatives aimed at addressing irrigation sustainability issues in the San Joaquin River Basin (SJRB) of California. Although the SJRB was selected in this case study, many of the same resource management issues are being played out in arid, agricultural regions around the world. The first part of this paper provides an introduction to some of the early issues impacting the expansion of irrigated agriculture primarily on the west side of the San Joaquin Valley and the policy and capital investments that were used to address salinity impairments to the use of the San Joaquin River (SJR) as an irrigation water supply. Irrigated agriculture requires large quantities of water if it is to be sustained, as well as supply water of adequate quality for the crop being grown. The second part of the paper addresses these supply issues and a period of excessive groundwater pumping that resulted in widespread land subsidence. A joint federal and state policy response that resulted in the facilities to import Delta water provided a remedy that lasted almost 50 years until the Sustainable Groundwater Management Act of 2014 was passed in the legislature to address a recurrence of the same issue. The paper describes the current state of basin-scale simulation modeling that many areas, including California, are using to craft a future sustainable groundwater resource management policy. The third section of the paper deals with unique water quality issues that arose in connection with the selenium crisis at Kesterson Reservoir and the significant threats to irrigation sustainability on the west side of the San Joaquin Valley that followed. The eventual policy response to this crisis was incremental, spanning two decades of University of California-led research programs focused on finding permanent solutions to the salt and selenium contamination problems constraining irrigated agriculture, primarily on the west side. Arid-zone agricultural drainage-induced water quality problems are becoming more ubiquitous worldwide. One policy approach that found traction in California is an innovative variant on the traditional Total Maximum Daily Load (TMDL) approach to salinity regulation, which has features in common with a scheme in Australia’s Hunter River Basin. The paper describes the real-time salinity management (RTSM) concept, which is geared to improving coordination of west side agricultural and wetland exports of salt load with east side tributary reservoir release flows to improve compliance with river salinity objectives. RTSM is a concept that requires access to continuous flow and electrical conductivity data from sensor networks located along the San Joaquin River and its major tributaries and a simulation model-based decision support designed to make salt load assimilative capacity forecasts. Web-based information dissemination and data sharing innovations are described with an emphasis on experience with stakeholder engagement and participation. The last decade has seen wide-scale, global deployment of similar technologies for enhancing irrigation agriculture productivity and protecting environmental resources.
Experiments on containerless crystal growth from the melt were conducted during Skylab missions SL3 and SL4 (Skylab Experiment M-560). Six samples of InSb were processed, one of them heavily doped with selenium. The concept of the experiment is discussed and related to general crystal growth methods and their merits as techniques for containerless processing in space. The morphology of the crystals obtained is explained in terms of volume changes associated with solidification and wetting conditions during solidification. All samples exhibit extremely well developed growth facets. Analysis by X-ray topographical methods and chemical etching shows that the crystals are of high structural perfection. Average dislocation density as revealed by etching is of the order of 100 per sq cm; no dislocation clusters could be observed in the space-grown samples. A sequence of striations that is observed in the first half of the selenium-doped sample is explained as being caused by periodic surface breakdown.
Aircraft measurements were made of trace gases, atmospheric particles, and condensed acid volatiles in the plume of El Chichon volcano, Chiapas, Mexico, in November 1982. Hydrogen sulfide was the primary gaseous sulfur species in the plume at the time of collection. Concentrations of 28 elements were determined by neutron activation analysis of particulate material from the plume. The volatile elements sulfur, chlorine, arsenic, selenium, bromine, antimony, iodine, tungsten, and mercury were enriched relative to bulk pyroclastic material by factors of 60 to 20,000. Arsenic, antimony, and selenium were associated predominantly with small (not greater than 3 micrometer) particles. Calcium and sodium were present almost exclusively on larger particles and aluminum and manganese were bimodally distributed. Ashladen particulate material injected into the stratosphere during the early violent eruptions was enriched by factors of 10 to 30 relative to ash in some of the same elements observed in the quiescent plume.
Thin plastic foils coated with selenium have been irradiated using from 4 to 8 beams of the OMEGA laser in a line focus configuration. Spectra were recorded using a 3 meter spectrograph that viewed the plasma along the line focus. Based on a comparison of the intensities of the spectral lines from plasmas with lengths of 1.7, 3.4, 6.8, and 13.6 mm, the C VI n = 3 to 2 transition at 182 A was anomalously intense in the spectra from the longer plasmas. Calculations indicate that the carbon plasma was cooled by radiation from the highly-charged selenium plasma in a time that was smaller than the expansion time of the plasma. These plasma conditions are favorable for the occurrence of population inversions between the n = 2 and 3 levels of C VI resulting from recombination and cascading from higher levels. The measured gain coefficient for the C VI 182 A transition is 3/cm, and this corresponds to a gain-length product of 4 in the longest plasma.
GTE Laboratories is currently conducting a program to investigate the effect of convection in the melt on the properties of bulk grown gallium arsenide (GaAs). In addition to extensive ground based experimentation, a Get Away Special growth system has been developed to grow two GaAs crystals aboard the Space Shuttle, each with a one inch diameter. In order to perform a complete segregation analysis of the crystals grown in space, it is necessary to measure the interface shape and growth rate as well as the spatial distribution of the selenium dopant. The techniques for interface demarcation in selenium doped GaAs by current pulsing have been developed at GTE Laboratories and successful interface demarcation has been achieved for current pulses ranging from 20 to 90 amps, in both single crystal and polycrystalline regions.
An investigation into the segregation behavior of selenium doped gallium arsenide during directional solidification in the microgravity environment was conducted using the Crystal Growth Furnace (CGF) aboard the first United States Microgravity Laboratory (USML-1). The two crystals grown were 1.5 cm in diameter and 16.5 cm in length with an initial melt length of 14 cm. Two translation periods were executed, the first at 2.5 microns/s and after a specified time, which was different between the two experiments, the translation rate was doubled to 5.0 microns/s. The translation was then stopped and the remaining sample melt was solidified using a gradient freeze technique in the first sample and a rapid solidification in the second experiment. Measurement of the selenium dopant distribution, using quantitative infrared transmission imaging, indicates that the first sample initially achieved diffusion controlled growth as desired. However, after about 1 cm of growth, the segregation behavior was driven from a diffusion controlled growth regime to a complete mixing regime. Measurements in the second flight sample indicated that the growth was always in a complete mixing regime. In both experiments, voids in the center line of the crystal, indicative of bubble entrapment, were found to correlate with the position in the crystal when the translation rates were doubled.
Experiments were conducted in the crystal growth furnace (CGF) during the first United States Microgravity Laboratory (USML-1), the STS-50 flight of the Space Shuttle Columbia, to determine the segregation behavior of selenium in bulk GaAs in a microgravity environment. After the flight, the selenium-doped GaAs crystals were sectioned, polished, and analyzed to determine the free carrier concentration as a function of position, One of the two crystals initially exhibited an axial concentration profile indicative of diffusion controlled growth, but this profile then changed to that predicted for a complete mixing type growth. An analytical model, proposed by Naumann [R.J. Naumann, J. Crystal Growth 142 (1994) 253], was utilized to predict the maximum allowable microgravity disturbances transverse to the growth direction during the two different translation rates used for each of the experiments. The predicted allowable acceleration levels were 4.86 microgram for the 2.5 micrometers/s furnace translation rate and 38.9 microgram for the 5.0 micrometers/s rate. These predicted values were compared to the Orbital Acceleration Research Experiment (OARE) accelerometer data recorded during the crystal growth periods for these experiments. Based on the analysis of the OARE acceleration data and utilizing the predictions from the analytical model, it is concluded that the change in segregation behavior was not caused by any acceleration events in the microgravity environment.
Methods, compositions, devices and kits are provided herein for separating, scavenging, capturing or identifying a metal from a target using a medium or scaffold with a selenium-containing functional group. The medium or the scaffold including the selenium-containing functional group has affinity and specificity to metal ions or compounds having one or more metals, and efficiently separates, recovers, and scavenges of the metals from a target such as a sample, solution, suspension, or mixture.
A material (e.g., an alloy) comprises molybdenum, rhenium, and at least one element selected from the group consisting of tellurium, iodine, selenium, chromium, nickel, copper, titanium, zirconium, tungsten, vanadium, and niobium. Methods of forming the material (e.g., the alloy) comprise mixing molybdenum powder, rhenium powder, and a powder comprising at least one element selected from the group consisting of tellurium, iodine, selenium, chromium, nickel, copper, titanium, zirconium, tungsten, vanadium, and niobium. The mixed powders may be coalesced to form the material (e.g., the alloy).
An electrochemical device includes a cathode including elemental selenium, elemental sulfur, or selenium-sulfur containing composite; a negative electrode; a separator; and an electrolyte including a poly(alkyleneoxide) siloxane; and a salt; wherein a concentration of the salt in the electrolyte is sufficient to minimize dissolution of polysulfides/polyselenides formed during cycling of the device.
Electrolyte modulation simultaneously suppresses polysulfide the shuttle effect and lithium dendrite formation of lithium-sulfur (Li-S) batteries. However, the sluggish S redox kinetics, especially under high S loading and lean electrolyte operation, has been ignored, which dramatically limits the cycle life and energy density of practical Li-S pouch cells. In this work, we demonstrate that a rational combination of selenium doping, core-shell hollow host structure, and fluorinated ether electrolytes enables ultrastable Li stripping/plating and essentially no polysulfide shuttle as well as fast redox kinetics. Thus, high areal capacity (>4 mAh cm -2 ) with excellent cycle stability and Coulombic efficiency were both demonstrated in Li metal anode and thick S cathode (4.5 mg cm -2 ) with a low electrolyte/sulfur ratio (10 mu L mg(-1)). Overall, this research further demonstrates a durable Li-Se/S pouch cell with high specific capacity, validating the potential practical applications.
Human activities result in the emission of 2000 metric tons of mercury compounds annually. Mercury (Hg) biomagnification has been characterized in marine mammals and predatory fish; however, little is known about mercury accumulation in brains of wild terrestrial species. Elevated Hg content, of 1.27 μg/g wet wt.—found in the brain of wild small Indian mongoose, prompted us to use synchrotron X-ray fluorescence imaging for simultaneous, quantitative mapping of biologically relevant and neurotoxic elements with high spatial resolution. X-ray fluorescence combined with immunohistochemistry revealed ~0.5–1.9 micron Hg-rich aggregates in cells of the choroid plexus and astrocytes of the subventricular wall in the mongoose brain. Hg content within aggregates correlated with selenium. Hg aggregates did not co-localize with lysosomes. The low Hg density inside aggregates indicated diffuse Hg binding to a Se-containing biomolecule, rather than much denser HgSe nanoparticles proposed to form in other species. Our data show the susceptibility of the small Indian mongoose population to Hg pollution and highlight the vulnerability of the brain as an organ targeted by mercury. Data also provide evidence on the adaptation in the form of a Se-based detoxification mechanism sequestering Hg into intracellular aggregates.
We report the extraction of 73 As, 75 Se, 197 mHg, 212 Pb and 210 Po on Eichrom pre-filter resin was studied in HCl and HNO 3 with batch uptake, kinetic and column experiments. There was significant extraction of mercury in HNO 3 and HCl, and polonium and selenium in HCl. The kinetics are sufficient to allow for retention on pre-filter columns, and separations of 73 As from 75 Se and 197 mHg, and 212 Pb from 210 Po are demonstrated. This retention is important for the development of chemical separations as pre-filter resin is commonly used alongside extraction chromatography resins but its potential for uptake of metal ions is not well characterized.