Photoelectrochemical Reduction of Nitrates at the Illuminated p-GaInP2 Photoelectrode
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We investigate structural and thermodynamic properties of aqueous dispersions of ionic microgels—soft colloidal gel particles that exhibit unusual phase behavior. Starting from a coarse-grained model of microgel macroions as charged spheres that are permeable to microions, we perform simulations and theoretical calculations using two complementary implementations of Poisson-Boltzmann (PB) theory. Within a one-component model, based on a linear-screening approximation for effective electrostatic pair interactions, we perform molecular dynamics simulations to compute macroion-macroion radial distribution functions, static structure factors, and macroion contributions to the osmotic pressure. For the same model, using a variational approximation for the free energy, we compute both macroion and microion contributions to the osmotic pressure. Within a spherical cell model, which neglects macroion correlations, we solve the nonlinear PB equation to compute microion distributions and osmotic pressures. By comparing the one-component and cell model implementations of PB theory, we demonstrate that the linear-screening approximation is valid for moderately charged microgels. By further comparing cell model predictions with simulation data for osmotic pressure, we chart the cell model’s limits in predicting osmotic pressures of salty dispersions.
Salinity is regarded as a worldwide agricultural threat, as it seriously limits plant development and productivity. Salt stress reduces water uptake in plants by disrupting the osmotic balance of soil solution. In addition, it creates a damaged metabolic process by causing ion imbalance in cells. In this study, we aim to examine the negative effects of 5-aminolevulinic acid (ALA) (20 mg/l) on the ion balance in wheat seedling leaves exposed to salt stress (150 mM). Sodium is known to be highly toxic for plant cells at high concentrations, and is significantly increased by salt stress. However, it can be reduced by combined application of ALA and salt, compared to salt application alone. On the other hand, while the K{sup +}/Na{sup +} ratio was reduced by salt stress, ALA application changed this ratio in favor of K{sup +}. Manganese, iron, and copper were also able to reduce stress. However, ALA pre-treatment resulted in mineral level increments. Conversely, the stress-induced rise in magnesium, potassium, calcium, phosphorus, zinc, and molybdenum were further improved by ALA application. These data clearly show that ALA has an important regulatory effect of ion balance in wheat leaves.
Electrocatalysis provides a potential solution to NO 3 - pollution in wastewater by converting it to innocuous N 2 gas. However, materials with excellent catalytic activity are typically limited to expensive precious metals, hindering their commercial viability. Here, in response to this challenge, we have conducted the most extensive computational search to date for electrocatalysts that can facilitate NO 3 - reduction reaction, starting with 59 390 candidate bimetallic alloys from the Materials Project and Automatic-Flow databases. Using a joint machine learning- and computation-based screening strategy, we evaluated our candidates based on corrosion resistance, catalytic activity, N 2 selectivity, cost, and the ability to synthesize. We found that only 20 materials will satisfy all criteria in our screening strategy, all of which contain varying amounts of Cu. Our proposed list of candidates is consistent with previous materials investigated in the literature, with the exception of Cu–Co and Cu–Ag based compounds that merit further investigation.
The need for energy-efficient recovery of organic solutes from aqueous streams is becoming more urgent as chemical manufacturing transitions toward nonconventional and bio-based feedstocks and processes. In addition to this, many aqueous waste streams contain recalcitrant organic contaminants, such as pharmaceuticals, industrial solvents, and personal care products, that must be removed prior to reuse. We observe that rigid carbon membrane materials can remove and concentrate organic contaminants via an unusual liquid-phase membrane permeation modality. Surprisingly, detailed thermodynamic calculations on the chemical potential of the organic contaminant reveal that the organic species has a higher chemical potential on the permeate side of the membrane than on the feed side of the membrane. This unusual observation challenges conventional membrane transport theory that posits that all permeating species move from high chemical potential states to lower chemical potential states. Based on experimental measurements, we hypothesize that the organic is concentrated in the membrane relative to water via favorable binding interactions between the organic and the carbon membrane. The concentrated organic is then swept through the membrane via the bulk flow of water in a modality known as “sorp-vection.” We highlight via simplified nonequilibrium thermodynamic models that this “uphill” chemical potential permeation of the organic does not result in second-law violations and can be deduced via measurements of the organic and water sorption and diffusion rates into the carbon membrane. Moreover, this work identifies the need to consider such nonidealities when incorporating unique, rigid materials for the separations of aqueous waste streams.
Purpose: To demonstrate that the authors’ new “aqueous solution vs pure water” equation to calculate osmotic potential may be used to calculate the osmotic potentials of inorganic and organic aqueous solutions over wide ranges of solute concentrations and temperatures. Currently, the osmotic potentials of solutions used for medical purposes are calculated from equations based on the thermodynamics of the gas laws which are only accurate at low temperature and solute concentration levels. Some solutions used in medicine may need their osmotic potentials calculated more accurately to take into account solute concentrations and temperatures. Methods: The authors experimented with their new equation for calculating the osmotic potentials of inorganic and organic aqueous solutions up to and beyond body temperatures by adjusting three of its factors; (a) the volume property of pure water, (b) the number of “free” water molecules per unit volume of solution, “N{sub f},” and (c) the “t” factor expressing the cooperative structural relaxation time of pure water at given temperatures. Adequate information on the volume property of pure water at different temperatures is available in the literature. However, as little information on the relative densities of inorganic and organic solutions, respectively, at varying temperatures needed to calculate N{sub f} was available, provisional equations were formulated to approximate values. Those values together with tentative t values for different temperatures chosen from values calculated by different workers were substituted into the authors’ equation to demonstrate how osmotic potentials could be estimated over temperatures up to and beyond bodily temperatures. Results: The provisional equations formulated to calculate N{sub f}, the number of free water molecules per unit volume of inorganic and organic solute solutions, respectively, over wide concentration ranges compared well with the calculations of N{sub f} using recorded relative density data at 20 °C. They were subsequently used to estimate N{sub f} values at temperatures up to and excess of body temperatures. Those values, together with t values at temperatures up to and in excess of body temperatures recorded in the literature, were substituted in the authors’ equation for the provisional calculation of osmotic potentials. The calculations indicated that solution temperatures and solute concentrations have a marked effect on osmotic potentials. Conclusions: Following work to measure the relative densities of aqueous solutions for the calculation of N{sub f} values and the determination of definitive t values up to and beyond bodily temperatures, the authors’ equation would enable the accurate estimations of the osmotic potentials of wide concentrations of aqueous solutions of inorganic and organic solutes over the temperature range. The study illustrates that not only solute concentrations but also temperatures have a marked effect on osmotic potentials, an observation of medical and biological significance.
Recent research into the moisture retention properties of saltstone suggest that osmotic pressure may play a potentially significant role in contaminant transport (Dixon et al., 2009 and Dixon, 2011). The Savannah River Remediation Closure and Disposal Assessments Group requested the Savannah River National Laboratory (SRNL) to conduct a literature search on osmotic potential as it relates to contaminant transport and to develop a conceptual model of saltstone that incorporates osmotic potential. This report presents the findings of the literature review and presents a conceptual model for saltstone that incorporates osmotic potential. The task was requested through Task Technical Request HLW-SSF-TTR- 2013-0004.
Despite groundbreaking potential in a broad application space, several nanofluidic phenomena remain poorly understood. Toward advancing the understanding of fluid behavior under nanoscale confinement, we developed a novel, ideal platform for fundamental molecular transport studies, in which the fluidic channel is a single carbon nanotube (CNT). CNTs offer the advantage of simple chemistry and structure, which can be synthetically tuned with nanometer precision and accurately modeled. With combined experimental and computational approaches, we demonstrated that CNT pores with 1-5 nm diameters conduct giant ionic currents that follow an unusual sublinear electrolyte concentration dependence. The large magnitude of the ionic conductance appears to originate from a strong electro-osmotic flow in smooth CNT pores. First-principle simulations suggest that electro-osmotic flow arises from localized negative polarization charges on carbon atoms near a potassium (K + ) ion and from the strong cation-graphitic wall interactions, which drive K + ions much closer to the wall than chlorides (Cl - ). Single-molecule translocation studies reveal that charged molecules may be distinguished from neutral species on the basis of the sign of the transient current change during their passage through the nanopore. Together with shedding light on a few controversial questions in the CNT nanofluidics area, these results may benefit LLNL’s Security Mission by providing the foundation for the development of advanced single-molecule detection system for bio/chem/explosive analytes. In addition, these experimental and computational platforms can be applied to advance fundamental knowledge in other fields, from energy storage and membrane separation to superfluid physics.
The AMO Water and Wastewater RD&D Workshop Series took place over three days, December 7, 14, and 16, 2021, and gathered about 200 attendees across all sectors, from academia, industry, and utilities, to municipalities, tribes, national laboratories, and government.
Polyurethane flat belts have received limited scientific attention as load-bearing elements in marine energy systems, particularly in applications involving dynamic tensile and bending loads. This study evaluates their potential as a replacement for traditional wire ropes in marine energy applications, with a focus on their ability to be integrated into winch-driven wave energy converters where bending and tensile stresses can make long-term operation difficult. Polyurethane belts are hypothesized to offer enhanced fatigue resistance due to their reduced thickness in the bending plane and therefore lower bending stresses. This research involves a series of tests utilizing the National Renewable Energy Laboratory’s (NREL) Large-Amplitude Motion Platform to replicate the dynamic conditions experienced by mooring lines of winch-based point-absorber-type marine energy converters. The conditions tested include unequal coiling and uncoiling tensions and load cases resulting from the device’s unconstrained movement relative to its anchor, such as twisting and off-axis loading. Results from this study show that polyurethane flat belts can achieve more than 198 percent of the fatigue life of a conventional wire rope under similar load profiles. The stress concentrations resulting from off-axis loading and cumulative twist beyond the system’s allowable limits have been identified as potential failure modes for flat belt mooring lines used in winch-driven wave energy converters deployed in ocean environments. To mitigate these risks, the use of anti-spin systems and fairleads designed to accommodate off-axis loading while limiting twist accumulation is recommended.
Polybenzimidazole (PBI) hollow fiber membranes were used to treat flue gas desulfurization (FGD) wastewater (WW) from a coal fired power plant. Membranes were tested using both single salt solutions and real FGD WW. The PBI membranes showed >99% rejection for single salt solutions of NaCl, MgCl2, CaSO4, and CaCl2 at approximately 2000 PPM (parts per million). The membranes also showed >97% rejection for FGD WW concentrations ranging from 6900 to 14,400 PPM total dissolved solids (TDS). The pH of the FGD WW was adjusted between 3.97–8.20, and there was an optimal pH between 5.31 and 7.80 where %rejection reached a maximum of >99%. The membranes were able to operate stably up to 50 °C, nearly doubling the water flux as compared to room temperature, and while maintaining >98% salt rejection.
Collection of proposed, operating, demonstration, and pilot study potable reuse systems across the U.S. as of 2020. Information includes project name, location, augmentation type, capacity, year operational, treatment train, and source water type. References are included in this submission. As potable reuse facilities undergo expansions or upgrades, treatment trains and capacities are subject to change. Operational status may also change. Treatment trains listed are reported to the detail that the source provides. Type and doses of chemical post-treatment or chlorination is often not specified. Please see README section in spreadsheet for definitions of acronyms used.
This submission presents results and observations from a series of surveys of US municipal desalination plants conducted during the last 20 years. The surveys were conducted to determine the number, characteristics, and concentrate disposal practices of US desalination plants. Each survey was intended to identify and contact each US plant that produces 25,000 gpd or more. This cutoff eliminated smaller plants that serve truck stops, mobile home parks, hospitals, campgrounds, etc. Succeeding surveys did not undertake to recontact all previously contacted plants but focused primarily on plants built since the initial survey.
Description: This folder contains the results for the WaterTAP3 model that was used for the eight NAWI (National Alliance for Water Innovation) baseline studies published in the Environmental Science and Technology special issue: Technology Baselines and Innovation Priorities for Water Treatment and Supply. The data structure and content are described in a README.txt file. For more details on how to use the data and interpret the results please refer to the model documentation and GitHub site linked in the submission.
This repository contains online actuator and sensor data and associated meta-data collected during the NAWI-funded seedling project with title: Foundational Control Methods for Water Treatment Systems. For detailed information on each dataset, please check the README included there.
This data set list the distribution of microbial taxa from three sets of sampling campaigns from unit operations in two large desalination facilities in the US conducted between March and May 2021. The desalination plants include the Claude "Bud" Lewis Carlsbad Desalination Plant in Carlsbad, California and the Seater Desalination facility in Tampa Bay, Florida.
Disturbance of osmotic tissue regulation in water toxicity
Water intoxication & diuresis in adrenal insufficiency and significance of adrenal gland in osmoregulation