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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

In‐Process Melt Separation of PE/PET Blends for Upcycling via Twin‐Screw Extrusion. Impact of Catalyst Reagents on PET Depolymerization

Part 1 of this work focused on depolymerizing polyethylene terephthalate (PET) in twin-screw extrusion, as part of a broader project to continuously separate PET from polyolefins in the melt. This study focused on linear low-density polyethylene (LLDPE) and PET films and the use of ethylene glycol (EG), diethylene glycol (DEG), triethylene glycol (TEG), and bis(2-hydroxyethyl) terephthalate (BHET) to depolymerize the PET in the extruder to levels above 90% Mw. In part 2, the focus will shift to achieving separation of the two polymers in the twin-screw extruder, which is made possible due to a 90% reduction in the Mw of the PET, which caused a decrease of its viscosity by several orders of magnitude. Owing to the viscosity difference and pressure buildup in the die, the low-viscosity PET preferentially exited a degassing vent instead of going through the die. This is because the flow of the PET would travel through a non-pressure vent rather than through a high-pressure die. However, owing to the higher viscosity of the LLDPE, the pressure was too high to pass through such a small diameter vent hole. Supercritical CO₂ (SCCO₂) was used to assist in this extraction, but SCCO₂ negatively impacted the overall degree of separation. Through analysis of the separated materials, it was concluded that a very high separation of the two materials was achieved. TGA and FTIR confirmed that the material separated from the vent was 100% PET. The material removed from the die was composed of 90% LLDPE and 10% PET.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Toward Continuous, Oriented Covalent Organic Framework Membranes for Precise Molecular Separations

The goal of achieving energy-efficient, precise molecular separations has motivated interest in developing and employing porous crystalline frameworks as membrane materials. Covalent organic frameworks (COFs) are ordered crystalline matrices composed of covalently bonded organic monomers and are synthesized via reversible reticular chemistry. COFs possess high porosity, structural tunability, and chemical and thermal stability, making them ideally suited for emerging, high-value membrane separation processes, such as ion separations, organic solvent nanofiltration, and gas separations. Although a range of COF membranes have been fabricated and tested in the past decade, these membranes are primarily polycrystalline, weakly crystalline, and/or discontinuous, resulting in suboptimal performance. In this review, we identify the properties that make COFs well-suited as membrane materials, while critically outlining the shortcomings of existing disordered COF membranes. We then highlight the recent emergence of highly crystalline, continuous, oriented two-dimensional COF membranes as a promising path forward for highly selective molecular separations. These continuous, oriented COF membranes exhibit tunable one-dimensional nanochannels, allowing for ultrafast molecular transport and precise species selectivity, thereby expanding the set of separations that can be practically achieved with membrane systems. We discuss synthesis and modification techniques that result in continuous, oriented COF membranes and evaluate the performance of such membranes for a variety of molecular separations. We conclude by identifying ongoing challenges in the development of COF membranes and outlining the future of their applications in molecular separations, which will necessarily rely on advancements in the synthesis of continuous, oriented membranes.

COF modification↗
DOE OSTI2024

Evaluation of a Process to Separate Ensiled Corn Grain and Stover for Improved Utilization as a Biomass Feedstock

Corn grain and chopped stover were stored anaerobically at 37% to 50% (w.b.) aggregate moisture content to create a unique biomass feedstock. However, after storage, the two fractions must be separated to accommodate different conversion pathways. In this work, a modified cleaning system from a grain combine harvester was evaluated to investigate its effectiveness in separating the grain from the stover. While this system has been purposefully built for this task, there is no previous literature on separating grain at high material other than grain (MOG) to grain ratios. Using this system, material was separated into four fractions: Grain, Tailings, Heavy MOG, and Light MOG. Subsamples were collected, oven dried, and then hydrodynamically separated to quantify the grain content in the four fractions. Several different configurations of air velocities, mass flow rate, material MOG: grain ratios, and sieve types and openings were investigated. Grain capture was defined as the fraction of the total grain dry mass collected in the grain and tailings fractions. In five experiments, the grain capture effectiveness varied from 89.2% to 99.4% on a dry basis. The dry basis foreign matter (FM) in the clean grain was 0.6% to 10.8%. As a result, the use of a modified combine cleaning system has the potential to be one step in a system to fractionate corn grain from stover (i.e., MOG) in a biorefinery that uses both starch and cellulose as biomass feedstocks.

09 BIOMASS FUELS↗
NASA NTRS1933

The process of separation in the turbulent friction layer

The separation of the flow which occurs at large angles of attack on the suction side of an airplane wing is attributable to phenomena in the flowing fluid layer adjacent to the surface; the fluid particles slowed up by the friction on the surface can no longer advance against an unduly great pressure rise. It is of vital importance that there exist two types of flow - laminar and turbulent - in the fluid layer flowing in the immediate vicinity of a body. According to Prandtl, by whom the whole theory was developed, we speak in the first case of a laminar boundary layer, in the second, of a turbulent friction layer. (author)

Gruschwitz, E↗
NASA NTRS2008

Process for separating metallic from semiconducting single-walled carbon nanotubes

A method for separating semiconducting single-walled carbon nanotubes from metallic single-walled carbon nanotubes is disclosed. The method utilizes separation agents that preferentially associate with semiconducting nanotubes due to the electrical nature of the nanotubes. The separation agents are those that have a planar orientation, .pi.-electrons available for association with the surface of the nanotubes, and also include a soluble portion of the molecule. Following preferential association of the separation agent with the semiconducting nanotubes, the agent/nanotubes complex is soluble and can be solubilized with the solution enriched in semiconducting nanotubes while the residual solid is enriched in metallic nanotubes.

Sun, Ya-Ping↗
DOE OSTI2022

Advanced adsorption processes for separation of bio-derived products

Disclosed herein are methods for the recovery of target bio-base carboxylic acid products using a sorption-based technology with a mixed elution solvent optimized for minimized downstream distillation energy input. The sorption-based technology includes absorbing the targeted bio-base carboxylic acid products onto a non-ionic resin and eluting the targeted bio-base carboxylic acid products with a mixed elution solvent. The mixed elution solvent includes a first solvent and a second solvent. The first solvent has a boiling point that is lower than the targeted bio-base carboxylic acid products and the second solvent is selected from the group consisting of a phosphine oxide or tertiary amine.

Saboe, Patrick Owen↗
DOE OSTI2022

Processes for separation of aromatic compounds using a thin film composite membrane

This invention discloses a method for separation of an aromatic compound from a mixture comprising an alkane using an improved thin-film composite membrane. The membrane is particularly useful for separation of benzene from cyclohexane, which have similar boiling points. The membrane comprises a more mechanically durable and defect-free separation layer as a result of its fabrication from an ionomer solution that is substantially free of dissolved ionic species not associated with the ionomer.

Majumdar, Sudipto↗
DOE OSTI2026

A Coincident CdTe Detector Array for Enhanced Nuclear Process Monitoring

Nuclear fuel cycle aqueous separation processes desire improved real-time material characterization and process monitoring techniques; gamma coincidence spectroscopy has the potential to meet this need in these high throughput and high radiation environments based on its ability to reduce background noise, thereby enhancing detection limits and improving isotopic identification accuracy. A detector array composed of three CdTe detectors was designed to surround a chemical processing pipe in a reprocessing facility and evaluate the feasibility of passively assaying the nuclear materials flowing though this measurement point. This array uses commercial off the shelf components that are radiation hard and highly efficiency at low energies relevant to actinide photon signatures. Detector efficiency characterizations, coincidence detection, and potential configuration improvements are presented here.

Good, Erin C.↗
NASA NTRS1999

Containerless, Low-Gravity Undercooling of Ti-Ce Alloys in the MSFC Drop Tube

Previous tests of the classical nucleation theory as applied to liquid-liquid gap miscibility systems found a discrepancy between experiment and theory in the ability to undercool one of the liquids before the L1-L2 separation occurs. To model the initial separation process in a two-phase liquid mixture, different theoretical approaches, such as free-energy gradient and density gradient theories, have been put forth. If there is a large enough interaction between the critical liquid and the crucible, both models predict a wetting temperature (T(sub w)) above which the minority liquid perfectly wets and layers the crucible interface, but only on one side of the immiscibility dome. Materials with compositions on the other side of the dome will have simple surface adsorption by the minority liquid before bulk separation occurs when the coexistence (i.e., binoidal) line in reached. If the interaction between the critical liquid and the crucible were to decrease, T(sub w) would increase, eventually approaching the critical consolute temperature (T(sub cc)). If this situation occurs, then there could be large regions of the miscibility gap where non-perfect wetting conditions prevail resulting in droplets of L1 liquid at the surface having a non-zero contact angle. The resulting bulk structure will then depend on what happens on the surface and the subsequent processing conditions. In the past several decades, many experiments in space have been performed on liquid metal binary immiscible systems for the purpose of determining the effects that different crucibles may have on the wetting and separation process of the liquids. Potard performed experiments that showed different crucible materials could cause the majority phase to preferentially wet the container and thus produce a dispersed microstructure of the minority phase. Several other studies have been performed on immiscibles in a semi-container environment using an emulsion technique. Only one previous study was performed using completely containerless processing of immiscible metals and the results of that investigation are similar to some of the emulsion studies. In all the studies, surface wetting was attributed as the cause for the similar microstructures or the asymmetry in the ability to undercool the liquid below the binoidal on one side of the immiscibility dome. By removing the container completely from the separation process, it was proposed that the loss of the crucible/liquid interaction would produce a large shift in T(sub w) and thus change the wetting characteristics at the surface. By investigating various compositions across the miscibility gap, a change in the type and amount of liquid wetting at the surface of a containerless droplet should change the surface nucleating behavior of the droplet - whether it be the liquid-liquid wetting or the liquid-to-solid transition. Undercooling of the liquid into the metastable region should produce significant differences in the separation process and the microstructure upon solidification. In this study, we attempt to measure these transitions by monitoring the temperature of the sample by optical pyrometry. Microstructural analysis will be made to correlate with the degree of undercooling and the separation mechanisms involved.

Robinson, M. B.↗
DOE OSTI2023

Low and High LET Degradation Studies of Metal-Loaded Organic Phase Ligands in the ALSEP Process

Organic solutions comprising the Actinide Lanthanide Separation Process (ALSEP) solvent consisting of 0.5 M 2-ethylhexyl phosphonic acid mono-2-ethylhexyl ester (HEH[EHP]) and 0.05 M N,N,N’,N’-tetra(2-ethylhexyl)diglycolamide (T2EHDGA) in n-dodecane were subjected to low LET and high LET irradiation before and after equilibration with an aqueous phase of 3 M HNO 3 . Degradation dose constants revealed greater ligand degradation due to gamma irradiation than alpha irradiation for both ligands. Furthermore, equilibration with nitric acid did not have a significant impact on ligand degradation for either irradiation source. Identified degradation products were similar for both gamma and alpha irradiation and occurred mostly through the rupture of the N–C carbonyl and C–O ether bonds for T2EHDGA and the C–Oether bond in HEH[EHP]. Acid contact appears to alter the degradation pathway by favoring the formation of higher molecular weight recombination products. Furthermore, mixed T2EHDGA-HEH[EHP]-NO 3 complexes were formed with Nd(III) after extraction from 3 M HNO 3 , and low LET gamma irradiation of the Nd(III) loaded organic solution produced similar degradation products as the organic solution absent of Nd(III). Interestingly, and likely due to the greater radiolytic susceptibility of T2EHDGA than HEH[EHP], a HEH[EHP]-Nd(III) complex appears to form as the T2EHDGA degrades with increasing absorbed dose.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Synthesis and characterization of imidazolium-mediated Tröger's base containing poly(amide)-ionenes and composites with ionic liquids for CO 2 separation membranes

Considerable attention has been given to polymeric membranes either containing, or built from, ionic liquids (ILs) in gas separation processes due to their selective separation of CO 2 molecules. Achieving high-performance CO 2 separation membranes with enhanced permeability and selectivity relies mainly on rationally designing the molecular substructure and molecular composition of the polymer matrix. In this work, we have exclusively explored a facile synthetic route to incorporate aromatic amide linkages onto an ionene backbone derived from imidazolium-mediated Tröger's base moieties, yielding a novel rigid polyamide-ionene material (“Im-TB-PA ionene”). We have optimized two novel Im-TB-PA ionene polymers via Menshutkin reactions between N,N'-(1,4-phenylene)bis(4-(chloromethyl)benzamide) and equimolar amounts of two isomeric diimidazole-functionalized Tröger's base monomers with ‘ortho’ or ‘para’ regiochemistry. The two resulting Im-TB(o&p)-PA ionenes exhibited high molecular weights and excellent solubilities in polar organic solvents, serving homogeneous and mechanically stable blend membranes with “free” ILs. The structural and physical properties, as well as the gas separation behaviors of both the Im-TB(o&p)-PA ionenes and their IL composite counterparts ([Im-TB(o&p)-PA] + [IL]), were further extensively investigated. The membrane with an optimal composition and polymer architecture ([Im-TB(o)-PA] + [IL]) exhibited outstanding permselectivites for CO 2 /CH 4 (46.73), CO 2 /N 2 (51.74), and CO 2 /H 2 (4.38) gas pairs together with the best CO 2 permeability of 47.2 barrer. Altogether, this study provides a promising strategy to explore the benefits of Im-TB-PA ionenes to separate CO 2 from flue gas, natural gas, and syngas streams, while opening new possibilities in polymer design with strong candidate materials for other practical applications.

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

Deactivation of Building 9206 - A Manhattan Project Era Facility

Building 9206 at the Y-12 National Security Complex was constructed in 1944 for the Manhattan Project as a predecessor to the much larger Building 9212. The purpose of Building 9206 was to perform chemical recycle, metal production, and recover of highly enriched uranium, as well as process product from the electromagnetic separation process.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Conceptual Model Testing Related to SDU 6 Drainwell Observations

From its inception in the early 1950s through the end of the Cold War in the early 1990s, the Savannah River Site (SRS) produced nuclear materials for national defense in five reactors. Additionally, irradiated reactor fuel and target tubes were dissolved in nitric acid to recover plutonium and uranium using the PUREX (Plutonium Uranium Reduction EXtraction) process. Liquid waste from these chemical separations processes was then stored onsite in 51 underground tanks. Eight waste storage tanks have been operationally closed (i.e. cleaned and grouted) and the remaining tanks hold a mixture of liquids, insoluble solids, and precipitated salts (SRMC-LWP-2022-00001), the latter generated by evaporating water from the liquid waste. Waste is currently being retrieved from tanks and separated into 1) high-radioactivity, low-volume, and 2) low-radioactivity, high-volume components, principally through the Salt Waste Processing Facility (SWPF) (SRMC-LWP-2023-00001). The former waste stream is vitrified in the Defense Waste Processing Facility (DWPF), stored onsite, and destined for offsite disposal in a deep geologic repository. The latter stream is mixed with dry cementitious materials in the Saltstone Production Facility (SPF) and the wet slurry placed in onsite Saltstone Disposal Units (SDUs) within the Saltstone Disposal Facility (SDF), where it hardens into a cement waste form termed saltstone. A low-infiltration surface cover system will be placed over the SDF at closure, where SDUs will then be in the subsurface post-closure (SRR-CWDA-2019-00001).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Correction to “COCOMO2: A Coarse-Grained Model for Interacting Folded and Disordered Proteins”

Biomolecular interactions are essential in many biological processes, including complex formation and phase separation processes. Coarse-grained computational models are especially valuable for studying such processes via simulation. Here, we present COCOMO2, an updated residue-based coarse-grained model that extends its applicability from intrinsically disordered peptides to folded proteins. This is accomplished with the introduction of a surface exposure scaling factor, which adjusts interaction strengths based on solvent accessibility, to enable the more realistic modeling of interactions involving folded domains without additional computational costs. COCOMO2 was parametrized directly with solubility and phase separation data to improve its performance on predicting concentration-dependent phase separation for a broader range of biomolecular systems compared to the original version. COCOMO2 enables new applications including the study of condensates that involve IDPs together with folded domains and the study of complex assembly processes. COCOMO2 also provides an expanded foundation for the development of multiscale approaches for modeling biomolecular interactions that span from residue-level to atomistic resolution.

Molecular interactions↗
DOE OSTI2025

COCOMO2: A Coarse-Grained Model for Interacting Folded and Disordered Proteins

Biomolecular interactions are essential in many biological processes, including complex formation and phase separation processes. Coarse-grained computational models are especially valuable for studying such processes via simulation. Here, we present COCOMO2, an updated residue-based coarse-grained model that extends its applicability from intrinsically disordered peptides to folded proteins. This is accomplished with the introduction of a surface exposure scaling factor, which adjusts interaction strengths based on solvent accessibility, to enable the more realistic modeling of interactions involving folded domains without additional computational costs. COCOMO2 was parametrized directly with solubility and phase separation data to improve its performance on predicting concentration-dependent phase separation for a broader range of biomolecular systems compared to the original version. COCOMO2 enables new applications including the study of condensates that involve IDPs together with folded domains and the study of complex assembly processes. COCOMO2 also provides an expanded foundation for the development of multiscale approaches for modeling biomolecular interactions that span from residue-level to atomistic resolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗