Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Extraction”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

18-membered macrocycle appended on resin for selective rare earth element extraction and separation

The rare earth elements are critically important for a wide range of modern technologies. However, obtaining them selectively and efficiently from natural sources and recycled materials is challenging and often requires harsh or wasteful conditions. Here we show that a macrocyclic chelator appended to a solid resin can overcome this challenge by acting as a robust platform for both the extraction and separation of these elements. This resin preferably captures the large rare earth elements in mixtures of these ions, giving rise to higher extraction efficiencies for them over the smaller ions. We further demonstrate that this resin can be used to separate rare earth elements. As a proof-of-principle validation, this resin was demonstrated to selectively extract rare earth elements in the presence of many different types of competing metal ions in a bioleachate solution obtained from autoslag waste, leading to their enrichment.

Coordination chemistry↗
DOE OSTI2018

Auto-generated materials database of Curie and Néel temperatures via semi-supervised relationship extraction

article presents an auto-generated database of 39,822 records containing chemical compounds and their associated Curie and Néel magnetic phase transition temperatures. The database was produced using natural language processing and semi-supervised quaternary relationship extraction, applied to a corpus of 68,078 chemistry and physics articles. Evaluation of the database shows an estimated overall precision of 73%. Therein, records processed with the text-mining toolkit, ChemDataExtractor, were assisted by a modified Snowball algorithm, whose original binary relationship extraction capabilities were extended to quaternary relationship extraction. Consequently, its machine learning component can now train with ≤500 seeds, rather than the 4,000 originally used. Data processed with the modified Snowball algorithm affords 82% precision. Database records are available in MongoDB, CSV and JSON formats which can easily be read using Python, R, Java and MatLab. As a result, this makes the database easy to query for tackling big-data materials science initiatives and provides a basis for magnetic materials discovery.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Sonochemical functionalization of mesoporous carbon for uranium extraction from seawater

Extracting uranium from seawater is challenging due to its low concentration (3.3 ppb) and the myriad of competing ions. Mesoporous carbon materials provide a high surface area alternative to the traditional polymeric fiber braids developed for seawater extractions, specifically uranium extraction. In our work, sonochemical grafting of acrylonitrile onto the pores of soft-templated mesoporous carbons followed by its conversion to amidoxime functionalities was used to prepare an effective sorbent material with a high density of binding sites. Pore blockage, often observed for free radical polymerization, leads to poor adsorbent performance but can be easily overcome by the use of ultrasound during polymerization. Parameters such as surface area and surface pre-treatment, sonication intensity, solvent system, and monomer/initiator ratios were varied to optimize the polymerization and uranium adsorption capacity while not blocking the porosity, a significant hurdle in the utilization of functionalized porous materials. Our results show that neither the surface oxidation with nitric acid nor CO 2 activation alone is sufficient to cause significant improvement in grafting and uranium uptake. But, when coupled together, a greatly enhanced performance of the adsorbent materials was observed.

36 MATERIALS SCIENCE↗
DOE OSTI2017

MPLEx: a method for simultaneous pathogen inactivation and extraction of samples for multi-omics profiling

The continued emergence and spread of infectious agents is of increasing concern due to increased population growth and the associated increased livestock production to meet food demands, increased urbanization and land-use changes, and greater travel. A systems biology approach to infectious disease research can significantly advance our understanding of host-pathogen relationships and facilitate the development of new therapies and vaccines. Molecular characterization of infectious samples outside of appropriate biosafety containment can only take place subsequent to pathogen inactivation. Herein, we describe a modified Folch extraction using chloroform/methanol that facilitates the molecular characterization of infectious samples by enabling simultaneous pathogen inactivation and extraction of proteins, metabolites, and lipids for subsequent mass spectrometry-based multi-omics measurements. This metabolite, protein and lipid extraction (MPLEx) method resulted in complete inactivation of bacterial and viral pathogens with exposed lipid membranes, including Yersinia pestis, Salmonella Typhimurium, and Campylobacter jejuni in pure culture, and Yersinia pestis, Campylobacter jejuni, West Nile, MERS-CoV, Ebola, and influenza H7N9 viruses in infection studies. Partial inactivation was observed for pathogens without exposed lipid membranes including 99.99% inactivation of community-associated methicillin-resistant Staphylococcus aureus, 99.6% and >99% inactivation of Clostridium difficile spores and vegetative cells, respectively, and 50% inactivation of adenovirus type 5. To demonstrate that MPLEx yields biomaterial of sufficient quality for subsequent multi-omics analyses, we highlight select proteomics, metabolomics and lipidomics data from human epithelial lung cells infected with wild-type and mutant forms of influenza H7N9. We believe that MPLEx will facilitate systems biology studies of infectious samples by enabling simultaneous pathogen inactivation and multi-omics measurements from a single specimen.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Unique low-molecular-weight lignin with high purity extracted from wood by deep eutectic solvents (DES): a source of lignin for valorization

This paper reports a new method of applying Deep Eutectic Solvents (DES) for extracting lignin from woody biomass with high yield and high purity. DES mixtures prepared from Choline Chloride (ChCl) and four hydrogen-bond donors–acetic acid, lactic acid, levulinic acid and glycerol–were evaluated for treatment of hardwood (poplar) and softwood (D. fir). It was found that these DES treatments can selectively extract a significant amount of lignin from wood with high yields: 78% from poplar and 58% from D. fir. The extracted lignin has high purity (95%) with unique structural properties. We discover that DES can selectively cleave ether linkages in wood lignin and facilitate lignin removal from wood. The mechanism of DES cleavage of ether bonds between phenylpropane units was investigated. The results from this study demonstrate that DES is a promising solvent for wood delignification and the production of a new source of lignin with promising potential applications.

Alvarez-Vasco, Carlos↗
DOE OSTI2019

Hydrophobic polymerized ionic liquids for trace metal solid phase extraction: thallium transfer from hydrochloric acid media

It is known that some neat room-temperature hydrophobic ionic liquids can extract metallic species from aqueous solutions. The unique properties of such organic media allow for the application of polymerization techniques to convert the liquid organic phase to a solid one. In this work, a pyrrolidinium-based ionic liquid and a corresponding polymer with bis(trifluoromethanesulfonyl)imide counter anion have been considered for optimization of thallium(III) migration in liquid-liquid and solid-liquid extraction systems. Neither trivalent indium nor monovalent thallium were absorbed by the polymer layer. A mathematical model to describe the mechanism of metal extraction in these systems has been developed. Thermodynamic parameters as adsorption enthalpy, entropy, and Gibbs energy have also been determined.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Hydrophobic amine-based binary mixtures of active pharmaceutical and food grade ingredients: characterization and application in indium extraction from aqueous hydrochloric acid media

The wide spread use of hazardous and expensive solvents for the liquid-liquid extraction (LLE) of critical metals has been a growing source of waste in the metal refinement industry. We have developed and characterized room temperature liquid hydrophobic binary mixtures based on common pharmaceutical and food grade compounds as sustainable, cost effective alternatives to both ionic liquids and conventional solvents. Additionally, we introduce liquid mixtures with Proton Sponge® (1,8-bis(dimethylamino)naphthalene), one of the strongest known organic bases. These mixtures have been applied to the LLE of indium(III) ions from hydrochloric acid solutions, displaying an extraction efficiency greater than 99% in some systems. Here, a systematic approach to identifying the underlying mechanism of extraction, in particular relating to the charge, solubility, and complexation of the indium species in the organic phase has been developed.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Early-stage oxidation and subsequent damage of the used nuclear fuel extractant TODGA; electron pulse radiolysis and theoretical insights

Radiation induced damage of extractant molecules is a well-known phenomenon responsible for reducing efficiency and increasing the waste and cost of reprocessing used nuclear fuel (UNF). As such, understanding early-stage (pico- to nanoseconds) radiation-induced reaction mechanisms is essential for informing the design of next generation extractants with enhanced radiation robustness. Here, in this work, we utilized picosecond and nanosecond electron pulse radiolysis experiments to probe the early-stage radioactive environment experienced by the organic phase extractant N,N,N',N'-tetraoctyldiglycolamide (TODGA), proposed for separating highly radioactive trivalent minor actinides (specifically americium and curium) from the trivalent lanthanides. Using comparisons to the similar ionization potential (IP) solute p-xylene, this work determined the mechanism of reaction with the ionized diluent (i.e., n-dodecane radical cation, DD˙ + ) is hole transfer to produce TODGA˙ + . At high TODGA concentrations (>100 mM), the majority of this transfer occurs faster than 10 ps via the capture of DD˙ + holes prior to their solvation with a C 37 = 300 mM. The surviving solvated holes were captured with k = (2.38 ± 0.15) × 10 10 M -1 s -1 . Attempts at subsequent hole transfer to lower IP solutes found that only 10% of holes were transferred, indicating bond rupture of TODGA˙ + occurs within 2.6 ns at 200 mM TODGA. Possible reaction pathways for the rapid decomposition of TODGA˙ + were explored using a combination of experiments and density functional theory (DFT) calculations.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Enhanced charge carrier extraction and transport with interface modification for efficient tin-based perovskite solar cells

Interface modification improves charge carrier extraction in tin-based perovskite solar cells. Tin-based perovskites have become the most promising non-lead perovskites due to their ideal band gap and low toxicity. Although the open circuit voltage of tin-based perovskite solar cells (TPSCs) continues to approach the theoretical value, the short-circuit current is still far from the theoretical value. Here, we describe an interface modification method by regulating the property of hole transport layer, PEDOT:PSS, which improves the surface molecular morphology and the energy level alignment of PEDOT:PSS/perovskite interface. Advanced GIWAXS and IR s-SNOM characterization are conducted to achieve multi-dimensional characterization of nanoscale surface morphology and chemical distribution of PEDOT:PSS. With the multi-attribute optimization, charge carrier extraction and non-radiative recombination are also improved. The resultant TPSCs exhibit a higher power conversion efficiency of 13.32% in compared with the control device of 10.50%, accompanied with an increase in the short-circuit current from 18.10 to 20.50 mA cm −2 and FF from 68.23% to 76.43%. This work demonstrates a reliable strategy for improving charge carrier extraction and device performance for lead-free TPSCs.

Zhao, Zhenzhu↗
DOE OSTI2011

Extraction of effective ion pair interactions in warm dense beryllium and helium plasmas within integral equation theory

Under hypernetted chain (HNC) approximation, effective ion pair interaction potentials for the warm dense matter are extracted by using available radial distribution functions (RDFs). The effective ion pair potentials extracted from first-principles simulation results are found containing the short-ranged attraction (SRA) component for both warm dense helium and beryllium plasmas. The SRA potentials can be well represented by Gaussian functions in both cases and then the extracted effective ion potentials are well fitted. As an application, the well fitted potentials are used to describe ion-ion interactions in classical molecular dynamics simulations. The yield RDFs are in excellent agreement with those computed by HNC equations and first-principles simulations, respectively.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Development of the front end test stand and vessel for extraction and source plasma analyses negative hydrogen ion sources at the Rutherford Appleton Laboratory

The ISIS pulsed spallation neutron and muon facility at the Rutherford Appleton Laboratory (RAL) in the UK uses a Penning surface plasma negative hydrogen ion source. Upgrade options for the ISIS accelerator system demand a higher current, lower emittance beam with longer pulse lengths from the injector. The Front End Test Stand is being constructed at RAL to meet the upgrade requirements using a modified ISIS ion source. A new 10% duty cycle 25 kV pulsed extraction power supply has been commissioned and the first meter of 3 MeV radio frequency quadrupole has been delivered. Simultaneously, a Vessel for Extraction and Source Plasma Analyses is under construction in a new laboratory at RAL. The detailed measurements of the plasma and extracted beam characteristics will allow a radical overhaul of the transport optics, potentially yielding a simpler source configuration with greater output and lifetime.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

Extracted ion current density in close-coupling multi-antenna type radio frequency driven ion source: CC-MATIS

Positive ions are extracted by using a small extractor from the Close-Coupling Multi-Antenna Type radio frequency driven Ion Source. Two types of RF antenna are used. The maximum extracted ion current density reaches 0.106 A/cm{sup 2}. The RF net power efficiency of the extracted ion current density under standard condition is 11.6 mA/cm{sup 2}/kW. The efficiency corresponds to the level of previous beam experiments on elementary designs of multi-antenna sources, and also to the efficiency level of a plasma driven by a filament in the same chamber. The multi-antenna type RF plasma source is promising for all metal high density ion sources in a large volume chamber.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Efficient photon extraction from a quantum dot in a broad-band planar cavity antenna

We analyse the extraction of photons emitted from single InAs quantum dots embedded in planar microcavities. The structures are designed to achieve broad-band operation and high-collection efficiency from a device requiring straightforward fabrication, even with electrical contacts. The designs consist of a quantum dot in a GaAs membrane with asymmetric top and bottom mirrors and a top-side solid immersion lens (SIL). Four separate cases are considered in our design: a GaAs membrane only (case 1), GaAs membrane with a glass SIL on top (case 2), a GaAs membrane with a glass SIL on top and a back mirror consisting of Au (case 3), a GaAs membrane with a glass SIL on top of a distribute Bragg reflector mirror and Au back mirror (case 4). Both finite difference time domain and analytical simulations are used to calculate the electric field, power density, and far-field radiation pattern. For optimized structures (case 4), we obtain significant extraction efficiencies (>50%) with modest Purcell enhancements (∼20%) and a large spectral full-width-half-maximum (>100 nm). The high-extraction efficiency, broad-band operation, and facile fabrication make the proposed structures promising for realistic quantum dot devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Improved light extraction from white organic light-emitting devices using a binary random phase array

We have developed a binary random phase array (BRPA) to improve the light extraction performance of white organic light-emitting devices (WOLEDs). We demonstrated that the scattering of incoming light can be controlled by employing diffraction optics to modify the structural parameters of the BRPA. Applying a BRPA to the substrate of the WOLED leads to enhanced extraction efficiency and suppression of angle-dependent color changes. Our systematic study clarifies the effect of scattering on the light extraction of WOLEDs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Angular distribution of polarized spontaneous emissions and its effect on light extraction behavior in InGaN-based light emitting diodes

Angular intensity distributions of differently polarized light sources in multiple quantum wells (MQWs) and their effects on extraction behavior of spontaneous emission from light emitting diode (LED) chips have been studied. Theoretical calculation based on k·p approximation, ray tracing simulation and angular electroluminescence measurement were applied in this work. It is found that the electron-hole recombination in the InGaN MQWs produces a spherical distribution of an s-polarized source and a dumbbell-shaped p-polarized source. Light rays from different polarized sources experience different extraction processes, determining the polarization degree of electro-luminescence and extraction efficiency of LEDs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Influence of optical polarization on the improvement of light extraction efficiency from reflective scattering structures in AlGaN ultraviolet light-emitting diodes

The improvement in light extraction efficiency from reflective scattering structures in AlGaN ultraviolet light-emitting diodes (UVLEDs) emitting at ∼270 nm is shown to be influenced by optical polarization. Three UVLEDs with different reflective scattering structures are investigated and compared to standard UVLEDs without scattering structures. The optical polarization and therefore the direction of light propagation within the various UVLEDs are altered by changes in the quantum well (QW) thickness. The improvement in light extraction efficiency of the UVLEDs with reflective scattering structures increases, compared to the UVLEDs without scattering structures, as the fraction of emitted light propagating parallel to the QW plane increases. Additionally, the light extraction efficiency increases as the average distance to the reflective scattering structures decreases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

High light extraction efficiency in bulk-GaN based volumetric violet light-emitting diodes

We report on the light extraction efficiency of III-Nitride violet light-emitting diodes with a volumetric flip-chip architecture. We introduce an accurate optical model to account for light extraction. We fabricate a series of devices with varying optical configurations and fit their measured performance with our model. We show the importance of second-order optical effects like photon recycling and residual surface roughness to account for data. We conclude that our devices reach an extraction efficiency of 89%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Generalization of the Child-Langmuir law to the alternate extraction of positive and negative ions

Using a combined analytical and simulation approach, we investigate positive and negative ion extraction between two electrodes from an ion-ion plasma source. With a square voltage waveform applied to the electrodes, we obtain approximate analytical solutions for the time-averaged extracted current densities, which are given simply by: J{sub p}{sup ac}=[α−fL√((M{sub p})/(q{sub p}V{sub 0}) )]J{sub p}{sup dc}, and J{sub n}{sup ac}=[(1−α)−fL√((M{sub n})/(q{sub n}V{sub 0}) )]J{sub n}{sup dc}, where J{sup ac} is the time-averaged current density, α is the square waveform duty cycle, f is the frequency, L is the electrode gap length, M is the ion mass, q is the ion charge, V{sub 0} is the applied voltage amplitude, J{sup dc} is the dc extracted current density, and the subscripts p and n refer to positive and negative ions, respectively. In particular, if J{sup dc} is the dc space-charge limited current density, then these equations describe the square waveform generalization of the Child-Langmuir law.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗