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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Effects of Testosterone on Mixed-Muscle Protein Synthesis and Proteome Dynamics During Energy Deficit

Effects of testosterone on integrated muscle protein metabolism and muscle mass during energy deficit are undetermined. The objective was to determine the effects of testosterone on mixed-muscle protein synthesis (MPS), proteome-wide fractional synthesis rates (FSR), and skeletal muscle mass during energy deficit. This was a randomized, double-blind, placebo-controlled trial. The study was conducted at Pennington Biomedical Research Center. Fifty healthy men. The study consisted of 14 days of weight maintenance, followed by a 28-day 55% energy deficit with 200 mg testosterone enanthate (TEST, n = 24) or placebo (PLA, n = 26) weekly, and up to 42 days of ad libitum recovery feeding. Mixed-MPS and proteome-wide FSR before (Pre), during (Mid), and after (Post) the energy deficit were determined using heavy water (days 1-42) and muscle biopsies. Muscle mass was determined using the D3-creatine dilution method. Mixed-MPS was lower than Pre at Mid and Post (P < 0.0005), with no difference between TEST and PLA. The proportion of individual proteins with numerically higher FSR in TEST than PLA was significant by 2-tailed binomial test at Post (52/67; P < 0.05), but not Mid (32/67; P > 0.05). Muscle mass was unchanged during energy deficit but was greater in TEST than PLA during recovery (P < 0.05). The high proportion of individual proteins with greater FSR in TEST than PLA at Post suggests exogenous testosterone exerted a delayed but broad stimulatory effect on synthesis rates across the muscle proteome during energy deficit, resulting in muscle mass accretion during subsequent recovery.

Endocrinology & Metabolism↗
DOE OSTI2021

X-Ray Phase Contrast Imaging for Dynamic Material Mix Experiments, LAO-003-17, Year 3 of 3

X-ray phase contrast imaging with transmission gratings for density profile measurements has been developed and tested for dynamic experimental applications. Talbot-Lau x-ray deflectometry is a new method of measuring x-ray refraction in addition to attenuation and ultrasmall-angle scattering that has recently been developed for static imaging, primarily for medical and industrial applications. To obtain density profiles from fast-evolving systems, we must use a flash x-ray source with a spot size much larger than the continuous microfocus sources of static imaging systems, and we can obtain only a single exposure. The challenges to measuring electron density profiles of two mixed elements from a single-image, low spatial resolution system are addressed, and initial results from the first dynamic experiments with one such system, conducted on a gas launcher at the end of FY 2018 and beginning of FY 2019, are presented. In FY 2019, we designed and built a new deflectometer designed for detonator experiments to test new techniques to improve the sensitivity and reliability of the diagnostic.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Fluorine-Substituted Lithium Chloride Solid Electrolytes for High-Voltage All-Solid-State Lithium-Ion Batteries

Lithium ternary halides are promising solid electrolytes, owing to their high ionic conductivity and reasonably high oxidative and chemical stability. Recently, fluorine substitution in Li 3 MCl 6 has been suggested as a promising approach for further enhancing oxidation stability. Accordingly, this study outlines a material design strategy for F-substituted Li 3 MCl 6 through systematic theoretical analyses. Calculations reveal that the mixing limit of F in Li 3 MCl 6–x F x is in the range of 0.5–1.5, and the resulting Li 3 MCl 6–x F x phases can retain ionic conductivity above 1 mS/cm up to x = 1.0. Additionally, the calculations also predict that the formation of F-containing passivating phases could increase the oxidation potential for Li3MCl5F to ~6.3 V. The proposed material design strategy is validated through the synthesis of Li 3 YCl 5 F, which is confirmed to show both high ionic conductivity and enhanced oxidation stability. The design guidelines presented herein can accelerate the potential use of halide-based electrolyte chemistries in high-voltage all-solid-state batteries.

25 ENERGY STORAGE↗
NASA NTRS1974

Turbulent mixing of multiple co-axial gaseous fuel jets in a supersonic airstream

An experimental and analytical investigation of a strut-mounted, four-nozzle, downstream-facing, gaseous fuel-injector assembly was conducted in a Mach 4 airstream at 154 psia and 520 R. Helium was used as the injectant in order to simulate a low molecular weight fuel, and the interjet spacing (S/D) was the main parameter varied. The principal data are in the form of helium concentration profiles at seven axial stations, Mach number distributions at three axial stations, and Schlieren photographs of the flow field at different interjet spacings. An approximate analysis was developed based upon a linearization in the Von Mises plane, Crocco integrals for the temperature and concentrations fields, and an eddy viscosity model. Good agreement with the data was achieved. It was found that, at these conditions, interjet spacing has a significant effect on mixing only up to S/D of approximately 2.5, with the concentration of the injectant at a given point becoming smaller as S/D is increased.

Lorber, A. K.↗
NASA NTRS1985

A mixed pseudospectral/finite difference method for a thermally driven fluid in a nonuniform gravitational field

A numerical study of the steady, axisymmetric flow in a heated, rotating spherical shell is conducted to model the Atmospheric General Circulation Experiment (AGCE) proposed to run aboard a later shuttle mission. The AGCE will consist of concentric rotating spheres confining a dielectric fluid. By imposing a dielectric field across the fluid a radial body force will be created. The numerical solution technique is based on the incompressible Navier-Stokes equations. In the method a pseudospectral technique is based on the incompressible Navier-Stokes equations. In the method a pseudospectral technique is used in the latitudinal direction, and a second-order accurate finite difference scheme discretizes time and radial derivatives. This paper discusses the development and performance of this numerical scheme for the AGCE which has been modelled in the past only by pure FD formulations. In addition, previous models have not investigated the effect of using a dielectric force to simulate terrestrial gravity. The effect of this dielectric force on the flow field is investigated as well as a parameter study of varying rotation rates and boundary temperatures. Among the effects noted are the production of larger velocities and enhanced reversals of radial temperature gradients for a body force generated by the electric field.

Macaraeg, M. G.↗
NASA NTRS1985

A mixed pseudospectral/finite difference method for a thermally driven fluid in a nonuniform gravitational field

A numerical study of the steady, axisymmetric flow in a heated, rotating spherical shell is conducted to model the Atmospheric General Circulation Experiment (AGCE) proposed to run aboard a later Shuttle mission. The AGCE will consist of concentric rotating spheres confining a dielectric fluid. By imposing a dielectric field across the fluid a radial body force will be created. The numerical solution technique is based on the incompressible Navier-Stokes equations. In the method a pseudospectral technique is used in the latitudinal direction, and a second-order accurate finite difference scheme discretizes time and radial derivatives. This paper discusses the development and performance of this numerical scheme for the AGCE which has been modeled in the past only by pure FD formulations. In addition, previous models have not investigated the effect of using a dielectric force to simulate terrestrial gravity. The effect of this dielectric force on the flow field is investigated as well as a parameter study of varying rotation rates and boundary temperatures. Among the effects noted are the production of larger velocities and enhanced reversals of radial temperature gradients for a body force generated by the electric field.

Macaraeg, M. G.↗
DOE OSTI2024

A new ductile, tougher resin for impregnation of superconducting magnets

A major remaining challenge for Nb 3 Sn high field magnets is their training due to random temperature variations in the coils. The main objective of our research is to reduce or eliminate it by finding novel impregnation materials in replacement of the epoxies currently used. An organic olefin-based thermosetting dicyclopentadiene resin, C 10 H 12 , commercially available in Japan as TELENE® by RIMTEC, was used to impregnate a short Nb 3 Sn undulator coil developed by ANL and FNAL. This magnet reached short sample limit after only two quenches, compared with ∼100 when CTD-101K® was used. Ductility, i.e. the ability to accept large strains, and toughness were identified as key properties to achieve these results. In addition, we have been investigating whether mixing TELENE with high heat capacity ceramic powders such as Gd 2 O 3 , Gd 2 O 2 S, and HoCu 2 , increases the specific heat (C p ) of impregnated Nb3Sn superconducting magnets. The viscosity, heat capacity, thermal conductivity, and other physical properties of TELENE with high-C p powder fillers were measured in this study as a function of temperature and magnetic field. The TELENE-87 wt%Gd 2 O 2 S had a peak in C p between 4.3 K and 5.3 K at fields between 0 and 8 T. We have also investigated the effect on the mechanical properties of pure and mixed TELENE under 10 MGy of gamma ray irradiation at the Takasaki Advanced Radiation Research Institute in Takasaki, Japan. TELENE-87 wt%Gd 2 O 2 S exhibited exceptional radiation resistance. Impregnating an undulator coil with TELENE mixed with Gd 2 O 2 S powder will verify whether the coils' thermal stability further improves, or whether its low diffusivity will require engineering the material with high-thermal conductivity components. Short magnet training will lead to better magnet reliability, lower magnet margins, lower risk and substantial saving in accelerators' commissioning costs. Part of this study is supported by the U.S.-Japan Science and Technology Cooperation Program in high energy physics operated by MEXT in Japan and DOE in the U.S.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2003

MAPGEN : mixed initiative planning and scheduling for the Mars '03 MER mission

The Mars Exploration Rovers Mars '03 mission is one of NASA's most ambitious science missions to date. The rovers will be launched in the summer of 2003 with each rover carrying instruments to conduct remote and in-situ observation to elucidate the planet's past climate, water activity, and habitability. Science is the primary driver of MER and, as a consequence, making best use of the scientific instruments, within the available resources, is a crucial aspect of the mission. To address this critically, the MER project has selected MAPGEN (Mixed-Initiative Activity Plan GENerator) as an activity planning tool. MAPGEN combines two exiting systems, each with a strong heritage: APGEN the Activity Planning tool from the Jet Propulsion Laboratory and the Europs Planning/Scheduling system from NASA Ames Research Center. This paper discusses the issues arising from combining these tools in the context of this mission.

planning and scheduling↗
DOE OSTI2021

Li 0.625 Al 0.125 H 0.25 Cl 0.75 O 0.25 Superionic Conductor with Disordered Rock-Salt Structure

Solid-state Li-ion conductors are of broad interest in electrochemical energy storage, especially in solid-state Li batteries that serve as a promising alternative for the next-generation safe and high-energy-density batteries. Exploring solid-state superionic conductors is significant for the development of solid-state Li batteries with high performance. Herein, we report a disordered rock-salt (A 1 B 1 )-structured solid electrolyte (Li 0.625 Al 0.125 H 0.25 )(Cl 0.75 O 0.25 ) (abbr. LAHCO) that was synthesized using Li 2 OHCl and LiAlCl 4 as precursors. Neutron diffraction reveals that Li, Al, and H atoms occupy the A sites and O and Cl atoms occupy the B sites in the A 1 B 1 structure for pure LAHCO. The LAHCO compound with excess LiAlCl 4 shows the highest Li + ionic conductivity of ~10 –4 S cm –1 at room temperature due to the disordering induced by configurational entropy as well as the entropy of mixing. Moreover, LAHCO–LiAlCl 4 solid electrolyte exhibits a stable polarization voltage under a current density of 5–50 μA cm –2 in Li symmetric cells. Furthermore, this work not only explicates the importance of Li-ion conductors with a rock-salt structure but also contributes toward the development of solid-state Li-ion conductors for broad applications.

25 ENERGY STORAGE↗
NASA NTRS2014

The Impact of New Estimates of Mixing Ratio and Flux-based Halogen Scenarios on Ozone Evolution

The evolution of ozone in the 21st century has been shown to be mainly impacted by the halogen emissions scenario and predicted changes in the circulation of the stratosphere. New estimates of mixing ratio and flux-based emission scenarios have been produced from the SPARC Lifetime Assessment 2013. Simulations using the Goddard Earth Observing System Chemistry-Climate Model (GEOSCCM) are conducted using this new A1 2014 halogen scenario and compared to ones using the A1 2010 scenario. This updated version of GEOSCCM includes a realistic representation of the Quasi-Biennial Oscillation and improvements related to the break up of the Antarctic polar vortex. We will present results of the ozone evolution over the recent past and 21st century to the A1 2010, A1 2014 mixing ratio, and an A1 2014 flux-based halogen scenario. Implications of the uncertainties in these estimates as well as those from possible circulation changes will be discussed.

Chemistry-Climate Models↗
NASA NTRSDate not supplied

Isolating the Surface Type Influence on Arctic Cloud Properties

In response to anthropogenic climate change, substantial declines in sea ice have been observed. An urgent question is whether and how clouds respond to the changing Arctic surface. Due to the important radiative influence of clouds, the response of clouds to sea ice cover change constitutes a potentially important climate feedback within the Arctic. The sign of this feedback is strongly influenced by the seasonality of the cloud response to sea ice loss. Given the importance of this phenomenon, previous research focused on using observations of inter-annual variability to quantify the cloud-sea ice relationship. However, the reliance on inter-annual variability to assess the covariance between clouds and sea ice make it challenging to control for the influence of large-scale meteorology on the clouds. We have devised an approach that applies an in situ, airborne observational strategy to quantify the influence of surface type on Arctic clouds to satellite data. Our event-based method composites cloud property differences for ocean, marginal ice zone, and sea ice surface types for >5000 MIZ crossing events. We find that cloud properties in non-summer months below ~1.5 km are influenced by surface type such that greater cloud fraction and water content are found over ocean relative to sea ice regions. Results are statistically significantly at the 95% confidence level. During summer, the surface type does not influence the cloud properties. The primary cause of the surface type dependent cloud property differences is the thermodynamic profiles differences that occur between the two surface types: namely, ocean footprints are warmer, moister, have more positive surface turbulent fluxes and are less stable than their sea ice counterparts. We find that the differences in thermodynamic profiles by surface type that correspond to the cloud property differences also explains a significant portion of the variability across events. Our analysis provides evidence that the influence of surface type on cloud properties fundamentally occurs due to the inherent surface temperature differences between the surface types. Significant surface type influences on cloud properties are only found in the presence of surface temperature differences between the surface types and only non-summer months meet this criterion. A conceptual model of this process is as follows, fundamental properties of the ocean and sea ice surface types (e.g., surface albedo, heat capacity/thermal inertia, surface roughness, and thermal conductance) lead to systematic differences in the surface temperature by surface type. In response to this surface temperature difference, atmosphere boundary layer processes (including turbulent mixing and radiation) communicate the surface temperature differences to the lower atmosphere driving the greater stability over sea ice than ocean. These differences in the background thermodynamic state profiles between the surface types yield atmospheric conditions that are more conducive to cloud development over ocean than sea ice. The details of these boundary layer processes are sensitive to the surface type but may not be fundamental to the resulting thermodynamic structure and cloud differences. Thus, our results indicate that to accurately model that cloud response to sea ice loss in climate models the surface type properties that yield the systematic differences in ocean and sea ice temperature (e.g., surface albedo, surface turbulent fluxes parameters, and thermal conductance) must be accurately represented.

Arctic radiation budget↗
DOE OSTI2021

A high solids field-to-fuel research pipeline to identify interactions between feedstocks and biofuel production

Abstract Background Environmental factors, such as weather extremes, have the potential to cause adverse effects on plant biomass quality and quantity. Beyond adversely affecting feedstock yield and composition, which have been extensively studied, environmental factors can have detrimental effects on saccharification and fermentation processes in biofuel production. Only a few studies have evaluated the effect of these factors on biomass deconstruction into biofuel and resulting fuel yields. This field-to-fuel evaluation of various feedstocks requires rigorous coordination of pretreatment, enzymatic hydrolysis, and fermentation experiments. A large number of biomass samples, often in limited quantity, are needed to thoroughly understand the effect of environmental conditions on biofuel production. This requires greater processing and analytical throughput of industrially relevant, high solids loading hydrolysates for fermentation, and led to the need for a laboratory-scale high solids experimentation platform. Results A field-to-fuel platform was developed to provide sufficient volumes of high solids loading enzymatic hydrolysate for fermentation. AFEX pretreatment was conducted in custom pretreatment reactors, followed by high solids enzymatic hydrolysis. To accommodate enzymatic hydrolysis of multiple samples, roller bottles were used to overcome the bottlenecks of mixing and reduced sugar yields at high solids loading, while allowing greater sample throughput than possible in bioreactors. The roller bottle method provided 42–47% greater liquefaction compared to the batch shake flask method for the same solids loading. In fermentation experiments, hydrolysates from roller bottles were fermented more rapidly, with greater xylose consumption, but lower final ethanol yields and CO 2 production than hydrolysates generated with shake flasks. The entire platform was tested and was able to replicate patterns of fermentation inhibition previously observed for experiments conducted in larger-scale reactors and bioreactors, showing divergent fermentation patterns for drought and normal year switchgrass hydrolysates. Conclusion A pipeline of small-scale AFEX pretreatment and roller bottle enzymatic hydrolysis was able to provide adequate quantities of hydrolysate for respirometer fermentation experiments and was able to overcome hydrolysis bottlenecks at high solids loading by obtaining greater liquefaction compared to batch shake flask hydrolysis. Thus, the roller bottle method can be effectively utilized to compare divergent feedstocks and diverse process conditions.

09 BIOMASS FUELS↗
NASA NTRS1997

Thrust Enhancement in Hypervelocity Nozzles by Chemical Catalysis

In the hypersonic flight regime, the air-breathing supersonic combustion ramjet (scramjet) has been shown to be a viable propulsion system. The current designs of scramjet engines provide performance benefits only up to a Mach number of 14. Performance losses increase rapidly as the Mach number increases. To extend the applicability of scram'jets beyond Mach 14, research is being conducted in the area of inlet and wave drag reduction, skin-friction and heat-transfer reduction, nozzle loss minimization, low-loss mixing, and combustion enhancement. For high Mach number applications, hydrogen is the obvious fuel choice because of its high energy content per unit mass in comparison with conventional fuels. These flight conditions require engines to operate at supersonic internal velocities, high combustor temperatures, and low static pressures. The high static temperature condition enhances the production of radicals such as H and OH, and the low-pressure condition slows the reaction rates, particularly the recombination reactions. High-temperature and low-pressure constraints, in combination with a small residence time, result in a radical-rich exhaust gas mixture exiting the combustor. At high Mach number conditions (due to low residence time), H and OH do not have enough time to recombine ; thus, a significant amount of energy is lost as these high-energy free radical are exhausted. The objective of the present study is to conduct a flowfield analysis for a typical nozzle geometry for NASP-type vehicle to assess for thrust enhancement in hypervelocity nozzles by substituting small amount of phosphine for hydrogen.

Singh, D. J.↗
DOE OSTI2022

Modeling impacts of ice-nucleating particles from marine aerosols on mixed-phase orographic clouds during 2015 ACAPEX field campaign

Abstract. A large fraction of annual precipitation over the western United States comes from wintertime orographic clouds associated with atmospheric rivers (ARs). Transported African and Asian dust and marine aerosols from the Pacific Ocean may act as ice-nucleating particles (INPs) to affect cloud and precipitation properties over the region. Here we explored the effects of INPs from marine aerosols on orographic mixed-phase clouds and precipitation at different AR stages for an AR event observed during the 2015 ACAPEX field campaign under low dust (<0.02 cm−3) conditions. Simulations were conducted using the chemistry version of the Weather Research and Forecasting Model coupled with the spectral-bin microphysics at 1 km grid spacing, with ice nucleation connected with dust and marine aerosols. By comparing against airborne and ground-based observations, accounting for marine INP effects improves the simulation of AR-precipitation. The marine INPs enhance the formation of ice and snow, leading to less shallow warm clouds but more mixed-phase and deep clouds, as well as to a large spillover effect of precipitation after AR landfall. The responses of cloud and precipitation to marine INPs vary with the AR stages, with more significant effects before AR landfall and post-AR than after AR landfall, mainly because the moisture and temperature conditions change with the AR evolution. This work suggests weather and climate models need to consider the impacts of marine INPs since their contribution is notable under low dust conditions despite the much lower relative ice nucleation efficiency of marine INPs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Quantifying the Diversity of an Atmospheric Aerosol Population in an Arctic Oil Field on a Single‐Particle Level

As the Arctic rapidly warms, sea ice extent is decreasing and oil and gas extraction activities are expanding. Local combustion emissions affect the Arctic atmospheric aerosol chemical mixing state (the distribution of chemical species across the aerosol population), which impacts climate-relevant properties. Bulk and single-particle measurements of submicron aerosols were conducted at Oliktok Point, Alaska within the North Slope of Alaska oil fields. In this work, we quantify aerosol diversity using online single-particle mass spectrometry data (32,880 individual particles), offline single-particle microscopy data (20,912 individual particles), and online bulk aerosol mass spectrometry and aethalometer data. This method was used to derive individual particle mass fractions for both refractory and non-refractory material within distinct particle types. Single-particle, average single-particle, and bulk population diversities (D i , D α , D γ , respectively) and mixing state indices (χ) were calculated for the data set. Calculated D i values were generally low (2.2 ± 0.6), as individual particle masses were dominated by a few chemical species of interest. Aged aerosol particles (those internally mixed with nitrate and/or sulfate) exhibited higher D i values (>3) compared to recently emitted (fresh) aerosol particles. During oil field plume periods, D α values approached three due to the abundance of diesel combustion particles, which were rich in sulfate, black carbon, and organic aerosol. Overall, the submicron aerosol population within the Arctic oil fields was found to be relatively externally mixed (χ < 50%), due to the constant local emissions within oil fields combining with background aerosol and locally emitted sea spray aerosol at the coastal site.

Wu, J.↗
DOE OSTI2024

The impact of plant‐derived fire management prescriptions on fire‐responsive bird species

Abstract In fire‐prone regions, the occurrence of some faunal species is contingent on the presence of resources that arise through post‐fire plant succession. Through planned burning, managers can alter resource availability and aim to provide the conditions required to promote biodiversity. Understanding how species occurrence changes at different spatial and temporal scales after fire is essential to achieve this goal. However, many fire prescriptions are guided primarily by the responses of fire‐sensitive plants when setting tolerable fire intervals. This approach assumes that maintaining floristic diversity will satisfy the requirements of fauna. We surveyed bird species in two semi‐arid vegetation types across an environmental gradient in south‐eastern Australia. We conducted four surveys at each of 253 sites across a 75‐year chronosequence of time since fire and used generalized additive mixed models to examine changes in the occurrence of birds in response to time since fire. Model predictions were compared to plant‐derived fire prescriptions currently guiding fire management in the region. Time since fire was a significant predictor for 18 of 28 species modeled, in at least one vegetation type, over a gradient of 1.3° of latitude. We detected considerable variation in the responses of some species, both between vegetation types and geographically within a vegetation type. Our evaluation of plant‐derived fire prescriptions suggests that the intervals considered acceptable for maintaining floristic diversity may not be sustainable for populations of birds requiring longer unburnt vegetation, with 6 of the 12 species assessed attaining a mean occurrence probability of 20.3% by the minimum tolerable fire interval, and 57.3% by the maximum tolerable fire interval, in their respective vegetation types. Our findings highlight the potential vulnerability of fire‐responsive bird species if fire prescriptions are applied in a manner that fails to account for the slow development of habitat resources needed by some species, and the variation detected within the responses of species. This highlights the need for species‐specific data collected at an appropriate spatial scale to inform management plans.

Makdissi, Rhys↗
DOE OSTI2025

Radiochronometric discordance in cast uranium metal: a multi-laboratory intercomparison exercise

Here, the model age of a nuclear material is crucial in nuclear forensic analysis. Uranium metals with complex production histories often exhibit discordant model ages from the 230 Th– 234 U and 231 Pa– 235 U chronometers. Recent studies involving targeted uranium metal castings have enhanced our understanding of decay product behavior during casting, aiding nuclear forensic interpretation. Building on this prior work, forensics laboratories at Atomic Weapons Establishment (AWE), Lawrence Livermore National Laboratory (LLNL), and Los Alamos National Laboratory (LANL) conducted an interlaboratory comparison to investigate spatial heterogeneity in uranium metal cast under controlled conditions. Each laboratory measured samples of a mixed feedstock and its corresponding cast product. This work furthers our understanding of discordant model ages and the use of discordance as a signature to enhance confidence in interpretations of radiochronometric data for nuclear forensics.

230Th/234U↗
DOE OSTI2024

Thiol-Functionalized Adsorbents through Atomic Layer Deposition and Vapor-Phase Silanization for Heavy Metal Ion Removal

The removal of toxic heavy metal ions from water resources is crucial for environmental protection and public health. In this study, we address this challenge by developing a surface functionalization technique for the selective adsorption of these contaminants. Our approach involves atomic layer deposition (ALD) followed by vapor-phase silanization of porous substrates. We utilized porous silica gel powder (similar to 100 mu m particles, 89 m 2 /g surface area, similar to 30 nm pores) as an initial substrate. This powder was first coated with similar to 0.5 nm ALD Al 2 O 3 , followed by vapor-phase grafting of a thiol-functional silane. The modified powder, particularly in acidic conditions (pH = 4), showed high selectivity in adsorbing Cd(II), As(V), Pb(II), Hg(II), and Cu(II) heavy metal ions in mixed ion solutions over common benign ions (e.g., Na, K, Ca, and Mg). Langmuir adsorption isotherms and breakthrough adsorption studies were conducted to assess heavy metal binding affinity and revealed the order of Cd(II) < Pb(II) < Cu(II) < As(V) < Hg(II), with a significantly higher affinity for As(V) and Hg(II) ions. Time-dependent uptake studies demonstrated rapid removal of heavy metal ions from aqueous environments, with Hg(II) exhibiting the fastest adsorption kinetics on thiol-modified surfaces. Finally, these findings highlight the potential of ALD and vapor-phase silanization to create effective adsorbents for the targeted removal of hazardous contaminants from water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗