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DOE OSTI2024

An integrated approach to optimizing concentration shock wave electrodialysis using 2D multicell simulation and response surface models

Shock wave electrodialysis (SWED) is a highly promising technique for energy-efficient ion separation in the context of a circular economy. This paper presents a approach way of modeling and improving SWED using a two-dimensional multicell model combined with the COMSOL program and response surface methodology. The model integrates the Nernst-Planck equation, Darcy's law, and first-order electroosmosis to examine the local concentration, flux of ionic species, distribution of current, and velocity of flow in SWED cells under various operating conditions. We first illustrate the clear depiction of concentration, velocity, and electric potential distribution through contours which aids in identifying optimal operating conditions and designing scalable SWED systems. The results emphasize the significance of surface charge density and voltage in influencing the features of shock waves for obtaining effective ion separation while optimizing energy consumption and improving current efficiency by controlling the retention time of feed flow. Here, this study defines two crucial characteristics of shock waves, namely the length of the flat depletion zone of a fully developed shock wave (shock wave height) and the distance of shock wave propagation (shock wave length). These properties significantly impact separation performance, as determined by the simulation results. Additionally, the response surface methodology is incorporated with the COMSOL models to develop predictive models and graph responses, enabling a more comprehensive understanding of the interactions between parameters and performance indicators, such as removal ratio, energy consumption, and water recovery. Finally, this work suggests design tactics for expanding SWED processes and outlines potential areas for further research. This research provides valuable insights into the prospective applications, design optimization, and scalability of SWED in the field of electrokinetic separation technologies for green chemistry and a circular economy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Pareto-Lognormal Modeling of Known and Unknown Metal Resources. II. Method Refinement and Further Applications

Pareto-lognormal modeling of worldwide metal deposit size–frequency distributions was proposed in an earlier paper (Agterberg in Nat Resour 26:3–20, 2017). In the current paper, the approach is applied to four metals (Cu, Zn, Au and Ag) and a number of model improvements are described and illustrated in detail for copper and gold. The new approach has become possible because of the very large inventory of worldwide metal deposit data recently published by Patiño Douce (Nat Resour 25:97–124, 2016c). Worldwide metal deposits for Cu, Zn and Ag follow basic lognormal size–frequency distributions that form straight lines on lognormal Q–Q plots. Au deposits show a departure from the straight-line model in the vicinity of their median size. Both largest and smallest deposits for the four metals taken as examples exhibit hyperbolic size–frequency relations and their Pareto coefficients are determined by fitting straight lines on log rank–log size plots. As originally pointed out by Patiño Douce (Nat Resour Res 25:365–387, 2016d), the upper Pareto tail cannot be distinguished clearly from the tail of what would be a secondary lognormal distribution. The method previously used in Agterberg (2017) for fitting the bridge function separating the largest deposit size–frequency Pareto tail from the basic lognormal is significantly improved in this paper. A new method is presented for estimating the approximate deposit size value at which the upper tail Pareto comes into effect. Although a theoretical explanation of the proposed Pareto-lognormal distribution model is not a required condition for its applicability, it is shown that existing double Pareto-lognormal models based on Brownian motion generalizations of the multiplicative central limit theorem are not applicable to worldwide metal deposits. Neither are various upper tail frequency amplification models in their present form. Although a physicochemical explanation remains possible, it is argued that preferential mining of the largest and smallest orebodies can have economic historical reasons. The size–frequency distribution of uranium can be regarded as lognormal without Pareto tails. At the end of the paper, it is shown that original copper deposit size data can be used for forward projection of discovery trends toward the end of this century.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Insights into determining pore size properties of ultrafiltration membranes

The selectivity of porous membranes is often characterized using solute rejection tests, where membranes are challenged with dilute aqueous solutions of neutral solutes at operating conditions that minimize concentration polarization and fouling. In single solute tests, a membrane is challenged with one molecular weight (MW) solute at a time from low to high MW. Since single solute methods are time-intensive, mixed solute tests have become more common, where a mixture of several MW solutes challenges a membrane at once. However, the presence of large solutes in a mixture increases the rejection of smaller solutes. Furthermore, there are no universally accepted operating conditions or standard methods used by membrane manufacturers or researchers for the experiments, leading to difficulty in pore size and pore characteristic comparisons. In this paper, commercial ultrafiltration membranes were challenged with single and mixed solute polyethylene glycol (PEG) and dextran aqueous solutions. First, rejection values determined using total organic carbon (TOC) and high-performance liquid chromatography (HPLC) from single solute filtration experiments are compared. Differences in rejection curves obtained by the two techniques are attributed to solute polydispersity. Mixed solute filtration experiments with binary mixtures of solutes showcased co-solute interactions, which increase with both the size and weight percent of large solute in the mixture. Mixed solute filtration experiments at varying operating conditions (i.e., stir speed and flux) were conducted to determine operating conditions that mitigate co-solute interactions. Stir speed had a minimal effect on co-solute interactions. In contrast, low flux conditions can help minimize co-solute interactions, leading to pore size distributions that closely resemble results observed in single solute filtration using narrowly dispersed solutes. Additionally, at low flux conditions, the predicted membrane pore size distributions utilizing mixed solute experiments with PEG and dextran were similar.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Gravitational Focusing and the Star Cluster Initial Mass Function

We discuss the possibility that gravitational focusing is responsible for the power-law mass function of star clusters N(logM)∝M{sup −1}. This power law can be produced asymptotically when the mass accretion rate of an object depends upon the mass of the accreting body, as M-dot ∝M{sup 2}. Although Bondi–Hoyle–Lyttleton accretion formally produces this dependence on mass in a uniform medium, realistic environments are much more complicated. However, numerical simulations in SPH that allow for sink formation yield such an asymptotic power-law mass function. We perform pure N-body simulations to isolate the effects of gravity from those of gas physics and to show that clusters naturally result with the power-law mass distribution. We also consider the physical conditions necessary to produce clusters on appropriate timescales. Our results help support the idea that gravitationally dominated accretion is the most likely mechanism for producing the cluster mass function.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Photovoltaic Shading Testbed for Module-Level Power Electronics: 2016 Performance Data Update

The 2012 NREL report 'Photovoltaic Shading Testbed for Module-Level Power Electronics' provides a standard methodology for estimating the performance benefit of distributed power electronics under partial shading conditions. Since the release of the report, experiments have been conducted for a number of products and for different system configurations. Drawing from these experiences, updates to the test and analysis methods are recommended. Proposed changes in data processing have the benefit of reducing the sensitivity to measurement errors and weather variability, as well as bringing the updated performance score in line with measured and simulated values of the shade recovery benefit of distributed PV power electronics. Also, due to the emergence of new technologies including sub-module embedded power electronics, the shading method has been extended to include power electronics that operate at a finer granularity than the module level. An update to the method is proposed to account for these emerging technologies that respond to shading differently than module-level devices. The partial shading test remains a repeatable test procedure that attempts to simulate shading situations as would be experienced by typical residential or commercial rooftop photovoltaic (PV) systems. Performance data for multiple products tested using this method are discussed, based on equipment from Enphase, Solar Edge, Maxim Integrated and SMA. In general, the annual recovery of shading losses from the module-level electronics evaluated is 25-35%, with the major difference between different trials being related to the number of parallel strings in the test installation rather than differences between the equipment tested. Appendix D data has been added in this update.

14 SOLAR ENERGY↗

NASA NTRS2008

Potential Use of a Bayesian Network for Discriminating Flash Type from Future GOES-R Geostationary Lightning Mapper (GLM) data

Continuous monitoring of the ratio of cloud flashes to ground flashes may provide a better understanding of thunderstorm dynamics, intensification, and evolution, and it may be useful in severe weather warning. The National Lighting Detection Network TM (NLDN) senses ground flashes with exceptional detection efficiency and accuracy over most of the continental United States. A proposed Geostationary Lightning Mapper (GLM) aboard the Geostationary Operational Environmental Satellite (GOES-R) will look at the western hemisphere, and among the lightning data products to be made available will be the fundamental optical flash parameters for both cloud and ground flashes: radiance, area, duration, number of optical groups, and number of optical events. Previous studies have demonstrated that the optical flash parameter statistics of ground and cloud lightning, which are observable from space, are significantly different. This study investigates a Bayesian network methodology for discriminating lightning flash type (ground or cloud) using the lightning optical data and ancillary GOES-R data. A Directed Acyclic Graph (DAG) is set up with lightning as a "root" and data observed by GLM as the "leaves." This allows for a direct calculation of the joint probability distribution function for the lighting type and radiance, area, etc. Initially, the conditional probabilities that will be required can be estimated from the Lightning Imaging Sensor (LIS) and the Optical Transient Detector (OTD) together with NLDN data. Directly manipulating the joint distribution will yield the conditional probability that a lightning flash is a ground flash given the evidence, which consists of the observed lightning optical data [and possibly cloud data retrieved from the GOES-R Advanced Baseline Imager (ABI) in a more mature Bayesian network configuration]. Later, actual GLM and NLDN data can be used to refine the estimates of the conditional probabilities used in the model; i.e., the Bayesian network is a learning network. Methods for efficient calculation of the conditional probabilities (e.g., an algorithm using junction trees), finding data conflicts, goodness of fit, and dealing with missing data will also be addressed.

Solakiewiz, Richard↗

NASA NTRS1985

Measurements in liquid fuel sprays

A ground test facility is being established at NASA Lewis Research Center to simulate the environmental and flight conditions needed to study adverse weather effects. One of the most important components is the water spray system which consists of many nozzles fitted on spray bars. Water is injected through air-assisted atomizers to generate uniform size drops to simulate icing in clouds. The primary objective is to provide experimental data on drop size distribution over a wide range of operating conditions. Correlation equations for mean drop size and initial injection parameters are being determined to assist in the design and modification of the Altitude Wind Tunnel. Special emphasis is being placed on the study of the aerodynamic structure of the air-assisted atomizer sprays. Detailed measurements of the variation of drop size distribution and velocity as a function of time and space are being made. Accurate initial and boundary conditions are being provided for computer model evaluation.

Chigier, N.↗

NASA NTRS1988

Imaging and spectroscopy of Comet P/Halley

The goals of this investigation are the analysis of a large set of high-resolution echelle/reticon spectra, and the reduction and analysis of a set of narrow-band-filtered charge coupled device (CCD) images of Comet Halley taken during the preperihelion period at Oak Ridge Observatory by Dr. R. E. McCrosky. The scientific objectives associated with these goals are the determination of the spatial distributions of several important radicals, atoms and ions in the coma. These include C2, CN, C3, H2O(+) and CO(+) from the image data. The analysis of the neutral species distribution with Monte Carlo models will aid in the understanding of their production and decay mechanisms as well as serve as an important indicator of the physical conditions in the inner coma. The spatial distributions of the ions will serve as a guide to constrain the complex model necessary for understanding the interaction of the solar wind and the cometary ions. Work during this past year has been devoted largely to the reduction of the standard star photometry for the CCD image data set, as well as the re-flat-fielding of a number of the comet images. We are pleased to report that despite a number of setbacks and the small effort devoted to this work (2 1/2 months for the PI and a generous share of completely unsupported time by Dr. McCrosky) that this portion of the work has been successfully completed. The goals for the upcoming final year of this project (under a new project number) are to complete the calibration of the CCD image data for inclusion in the IHW archive, to analyze a select portion of the neutral radical images with our Monte Carlo models, and to present the results of the 6300/region spectra as a guide to low-resolution spectral observers in order to yield the unambiguous separation of the contributions of cometary O(1D), airglow O(1D), and the numerous NH2 lines in that region of the spectrum.

Combi, Michael R.↗

DOE OSTI2015

Uranium redistribution due to water table fluctuations in sandy wetland mesocosms

In order to better understand the fate and stability of immobilized uranium (U) in wetland sediments, and how intermittent dry periods affect U stability, we dosed saturated wetland mesocosms planted with Scirpus acutus with low levels of uranyl acetate for 4 months before imposing a short drying and rewetting period. Concentrations of U in mesocosm effluent increased after drying and rewetting, but the cumulative amount of U released following the dry period constituted less than 1% of the total U immobilized in the soil during the 4 months prior. This low level of remobilization suggests, and XAS analyses confirm, that microbial reduction was not the primary means of U immobilization, as the U immobilized in mesocosms was primarily U(VI) rather than U(IV). Drying followed by re-wetting caused a redistribution of U downward in the soil profile and on to root surfaces. While the U on roots before drying was primarily associated with minerals, the U that relocated to the roots during drying and rewetting was bound diffusely to root surfaces. Results show that short periods of drought conditions in a wetland, which expose reduced sediments to air, may impact U distribution, but these conditions may not cause large releases of soil-bound U from planted wetlands to surface waters.

Environmental Molecular Sciences Laboratory↗

NASA NTRS1992

Fast adaptive composite grid methods on distributed parallel architectures

The fast adaptive composite (FAC) grid method is compared with the adaptive composite method (AFAC) under variety of conditions including vectorization and parallelization. Results are given for distributed memory multiprocessor architectures (SUPRENUM, Intel iPSC/2 and iPSC/860). It is shown that the good performance of AFAC and its superiority over FAC in a parallel environment is a property of the algorithm and not dependent on peculiarities of any machine.

Lemke, Max↗

NASA NTRS2005

Discontinuous pore fluid distribution under microgravity--KC-135 flight investigations

Designing a reliable plant growth system for crop production in space requires the understanding of pore fluid distribution in porous media under microgravity. The objective of this experimental investigation, which was conducted aboard NASA KC-135 reduced gravity flight, is to study possible particle separation and the distribution of discontinuous wetting fluid in porous media under microgravity. KC-135 aircraft provided gravity conditions of 1, 1.8, and 10(-2) g. Glass beads of a known size distribution were used as porous media; and Hexadecane, a petroleum compound immiscible with and lighter than water, was used as wetting fluid at residual saturation. Nitrogen freezer was used to solidify the discontinuous Hexadecane ganglia in glass beads to preserve the ganglia size changes during different gravity conditions, so that the blob-size distributions (BSDs) could be measured after flight. It was concluded from this study that microgravity has little effect on the size distribution of pore fluid blobs corresponding to residual saturation of wetting fluids in porous media. The blobs showed no noticeable breakup or coalescence during microgravity. However, based on the increase in bulk volume of samples due to particle separation under microgravity, groups of particles, within which pore fluid blobs were encapsulated, appeared to have rearranged themselves under microgravity.

manned↗

DOE OSTI2019

Distribution of Ni, Co, Precious, and Platinum Group Metals in Copper Making Process

The distribution coefficients of Ni, Co, Ag, Au, Pt, and Pd between molten copper and silica-saturated iron silicate slags (L{sub Me}{sup Cu/s}) were measured experimentally. The distribution behaviors were studied under typical conditions of copper converting and fire refining, i.e., from 1250 °C to 1350 °C, and from 10{sup −8} to 10{sup −4} atm oxygen partial pressure. The coefficients were determined as the ratios of the trace element weight concentrations measured in situ, directly from the equilibrated metal and slag phases. For the quantitative elemental analysis of the phases, state-of-the-art analytic techniques, including electron probe microanalysis and laser ablation-inductively coupled plasma-mass spectrometry, were employed. The distribution coefficients L{sub Me}{sup Cu/s} determined can be arranged in the following order: Pt > Au > Pd >> Ag > (Cu) > Ni > Co > (Fe).

36 MATERIALS SCIENCE↗

DOE OSTI2019

Effects of Fuel Properties on Particle Number and Particle Mass Emissions from Lean and Stoichiometric Gasoline Direct Injection Engine Operation

Engine-out particle size distributions and soot mass emissions were measured from a gasoline direct injection (GDI) engine fueled by seven different gasoline formulations. Additionally, particle size distributions were simultaneously measured downstream of a catalyzed gasoline particulate filter (GPF) to determine the size resolved filtration efficiency. Stoichiometric, lean homogeneous, and lean stratified combustion modes were studied at four steady-state engine conditions. The particulate matter (PM) Index was calculated for each fuel as a function of the double bond equivalent and vapor pressure of the fuel components. There was generally poor correlation between particle number (PN)/PM mass emissions and the PM Index for steady state stoichiometric conditions with clean injectors, which emitted low particle concentrations. However, under high-load lean homogeneous conditions, there was good correlation between PN/PM mass emission and the PM Index, with the exception that the high ethanol content fuel produced significantly higher PM emissions than the other fuels. Under lean stratified conditions, most fuels produced similar particle size distributions and concentrations with the exception that the E50 fuel produced significantly lower concentrations than the other fuels. These results demonstrate the profound sensitivity of particle emissions from high ethanol content fuel to engine operating conditions. Additionally, these results show the predominant factor influencing particle formation is charge mixture formation, which fuel properties influence, but not as significantly as engine conditions. Here, the GPF reduced the tailpipe particle number concentrations by 60 - 95% and showed evidence of passive regeneration under higher load lean engine conditions (Temp>400°C, Lambda>1.3). Total PN filtration efficiencies ranged from ~60 % with a clean filter to greater than 95% with as little as 25 mg/L of soot loaded on the filter with a most penetrating particle size (MPPS) between 100 and 150 nm. The GPF results show that GPF regeneration can be achieved with the added fuel efficiency benefit of lean operation.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1975

Comparison of experimental and theoretical boundary-layer separation for inlets at incidence angle at low-speed conditions

Comparisons between experimental and theoretical Mach number distributions and separation locations are presented for the internal surfaces of four different subsonic inlet geometries with exit diameters of 13.97 centimeters. The free stream Mach number was held constant at 0.127, the one-dimensional throat Mach number ranged from 0.49 to 0.71, and the incidence angle ranged from 0 deg to 50 deg. Generally good agreement was found between the theoretical and experimental surface Mach number distributions as long as no flow separation existed. At high incidence angles, where separation was obvious in the experimental data, the theory predicted separation on the lip. At lower incidence angles, the theoretical results indicated diffuser separation which was not obvious from the experimental surface Mach number distributions. As incidence angle was varied from 0 deg to 50 deg, the predicted separation location shifted from the diffuser region to the inlet highlight. Relatively small total pressure losses were obtained when the predicted separation location was greater than 0.6 of the distance between the highlight and the diffuser exit.

Felderman, E. J.↗

NASA NTRS1979

Collisional evolution of the mass-distribution spectrum of planetesimals. II

An investigation of conditions for the early growth of planetesimals through their mutual collisions using Monte Carlo technique is presented. Rebound, erosion, catastrophic breakup, and coagulation are considered, mean random velocity is assumed to vary with time, and growth of km-sized planetesimals is shown to occur only when they have the mechanical properties similar to iron meteorites. The formation time of several hundred-km sized planetesimals is much longer than previously reported by Greenberg (1978), and an expression was derived for the temporal variation of the mean mass.

Matsui, T.↗

DOE OSTI2014

Nanoparticulate Iron Oxyhydroxide Controls on Aqueous Redox Chemistry and Microbial Species Distribution and Activity in Natural Environments

Under anaerobic conditions that occur in soils and sediments, some microorganisms such as species of Shewanella and Geobacter pass electrons from respiration of organic carbon to iron oxyhydroxide minerals, causing the minerals to dissolve. Microbial iron reduction occurs within natural multi-species consortia, which alter their membership and biochemistry as the result of changes in their physical and chemical surroundings. The mineral electron acceptors are often poorly defined surface coatings and colloidal aggregates composed largely of nanoscale particles. We will investigate how differences in the nanomineralogy of the subsurface drive changes in the strain makeup of the microbial consortia responsible for iron reduction. Natural microbial communities are likely to include organism types with the range of genomic potential needed to profit from the expected suite of electron accepting minerals encountered in their habitats. As we predicted that redox potential is likely to be a mineral characteristic key to strain selection, we experimentally adjusted the redox potential of electrodes tested for reproducible patterns of organism response. We hypothesized that we can drive selection for the strain with cytochromes best optimized for electron transfer to the available mineral substrate. The biochemical basis for selection was investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Transcription of blunt snout bream (Megalobrama amblycephala) HIF3α and its localization in the nucleus under both normoxic and hypoxic conditions

Highlights: • HIF3α cDNA was characterized the in hypoxia-sensitive blunt snout bream. • HIF3α mRNA was stably expressed during embryogenesis and different adult tissues. • HIF3α mRNA was upregulated in the liver, brain, and kidney under hypoxia. • HIF3α was distributed in the nucleus under normoxic and hypoxic conditions. • Hypoxia simulation caused a significant increase in HIF3α protein levels. • There was a nuclear localization signal (NLS) sequence at the C-terminus of HIF3α. Although hypoxia-inducible factor (HIF) 1α and 2α function as master regulators of the transcriptional response to hypoxia, the function of HIF3α and its responses to hypoxic stress remain unclear in teleost fish. Here, we characterized the HIF3α cDNA in hypoxia-sensitive blunt snout bream (Megalobrama amblycephala), with 3059 bp length, consisting of an open reading frame (ORF) encoding 643 amino acid residues. Blunt snout bream HIF3α mRNA was stably expressed during stages of embryonic development and in adult tissues. After a 4 h hypoxia stress, HIF3α mRNA of the juvenile fish was significantly upregulated in the liver, brain, and kidney, and restored to the pretreatment levels after a 24 h recovery. When tagged with enhanced green fluorescent protein (EGFP) and transfected into cultured HeLa cells, blunt snout bream HIF3α was mainly distributed in the nucleus under normoxia. Treatment of the cells with CoCl{sub 2} to mimic hypoxic conditions showed that there was no effect about the nuclear localization of HIF3α but a statistically significant increase in HIF3α protein levels. A nuclear localization signal (NLS) sequence at the C-terminus of HIF3α may exert positive effects in the process of nuclear localization. These results suggest that blunt snout bream HIF3α could be involved in different physiological functions under normoxia and hypoxia conditions.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

The role of gas flow distributions on CO 2 mineralization within monolithic cemented composites: coupled CFD-factorial design approach

The carbonation kinetics of monolithic cementing composites are strongly affected by gas transport which is, in turn, influenced by microstructural resistances and the presence of liquid water within pore networks. The non-uniform gas flow distribution within the CO 2 mineralization reactor can impart mass transfer resistance in the monolith microstructure, which affects the uptake of CO 2 (“carbonation”) of the cementing composites. This paper demonstrates how the gas spatial distribution (velocity and flow rate; quantified by CFD analysis) and processing conditions (temperature, relative humidity, and flow rate; quantified by factorial design) affect drying and carbonation, and in turn, the engineering properties of a representative ‘monolithic’ carbonate-cemented concrete component (i.e., herein concrete masonry unit: CMUs, also known as concrete block). It is shown that the gas flow distribution affects drying front penetration and results in moisture and carbonation gradients within the monolith. Particularly, variations in drying kinetics caused by non-uniformity of the contacting gas velocity impose gradients in moisture saturation, which results in increasing microstructural resistance to CO 2 transport. The resultant non-uniform carbonate-mineral formation (i.e., carbonate cementation), if not controlled, can produce gradients in mechanical properties and may alter failure patterns upon loading. Finally, these insights inform the optimal design of gas flow distribution systems and processing conditions within CO 2 mineralization reactors for the manufacturing of low-CO 2 concrete components using CO 2 -dilute industrial flue gas streams.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗