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At least 757 records · Page 42

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DOE OSTI2024

A lyotropic liquid crystal-templated nanofiltration membrane with thermo- and pH-responsive 3D transport pathway

We produce controlled nanostructured membranes from cross-linking of self-assembled diacrylated poloxamers. At sufficiently high concentrations, poloxamers form lyotropic liquid crystals (LLCs), such as lamellar (L α ), cubic packing of spherical micelles, and hexagonal packing of rod-like micelles in water (H 1 ). We use the H 1 phase as a template to produce orderly packed nanofibrous membranes. The obtained membrane has a continuous 3D transport pathway and can alter its nanofiltration (NF) properties in response to changes in temperature and pH. The formulation includes Pluronic P84-diacrylate (P84DA), a thermoresponsive component that acts as both macromer and structure-directing amphiphile. P84DA facilitates changes in membrane pore size with temperature due to its thermoresponsiveness when it is in contact with water. Furthermore, the precursor contains acrylic acid (AAc) as the charged component, which upon copolymerization with P84DA, not only enables ion separation through Donnan exclusion but also imparts pH-responsive behavior for the separation of ionic species. The membrane performance is studied and compared with a commercial NF membrane (NF270). We show that the synthesized NF membrane has separation properties adjustable with temperature and pH with exceptional resistance to fouling by various solutes due to its highly hydrophilic surface. Furthermore, the membrane shows an outstanding sulfate over chloride ion selectivity, which is a requirement for salt fractionation applications. Deducted from separate experiments, the ideal chloride/sulfate selectivity for magnesium cation is about 2.38 at low ionic strengths. This study is done on a model system to show the capability of incorporating pH-responsiveness in LLC templated membranes, in which the pH-responsive range can be designed by changing the charged groups of comonomer in the formulation.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Continuous-wave GaAs/AlGaAs quantum cascade laser at 5.7 THz

Design strategies for improving terahertz (THz) quantum cascade lasers (QCLs) in the 5–6 THz range are investigated numerically and experimentally, with the goal of overcoming the degradation in performance that occurs as the laser frequency approaches the Reststrahlen band. Two designs aimed at 5.4 THz were selected: one optimized for lower power dissipation and one optimized for better temperature performance. The active regions exhibited broadband gain, with the strongest modes lasing in the 5.3–5.6 THz range, but with other various modes observed ranging from 4.76 to 6.03 THz. Pulsed and continuous-wave (cw) operation is observed up to temperatures of 117 K and 68 K, respectively. In cw mode, the ridge laser has modes up to 5.71 THz – the highest reported frequency for a THz QCL in cw mode. The waveguide loss associated with the doped contact layers and metallization is identified as a critical limitation to performance above 5 THz.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Self-assembled nanofiltration membranes with thermo- and pH-responsive behavior

36 MATERIALS SCIENCE↗

DOE OSTI2021

PERFORMANCE CHARACTERIZATION OF THE DIRECT CONTACT MEMBRANE DISTILLATION MODULE OPERATED WITH HIGHLY CONCENTRATED SOLUTION

The experimental study was conducted to characterize the performance of the flat sheet Direct Contact Membrane Distillation. The length degradation was studied in a short and long module with and without spacers. The experimental study is validated using the predicted flux for a wide range of operating conditions using deionized water. Three different membranes are used in the parametric study for feed Reynolds number varied between 500 and 2000, and inlet feed temperature varied between 45°C and 80°C. PTFE membrane was shown to be more effective than the PVDF due to its higher permeability coefficient and higher hydrophobicity. Fouling study was conducted on the selected PTFE membrane with various feed Reynolds numbers between 500 and 2000 and feed inlet temperature between 50°C and 80°C. Membranes used in the fouling study were characterized using scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS) for the morphology and chemical composition of the fouling layer. 36 hours of operation with 10 wt% NaCl (100,000 ppm) at feed inlet temperatures 80°C and 60°C and fixed Reynolds 2000 demonstrated a drop in flux by 31% and 27%, respectively. Low flow rate and high temperature are favorable conditions for fouling formation and reduced permeate flux for highly concentrated solutions. The spacers improved the flux by 30.8% and 27.6% at the operating Reynolds numbers 2000 the short and long channel modules. This study helps to design and optimize DCMD modules for industrial-size desalination and water treatment applications.

Kim, Deliya↗

DOE OSTI2024

Recycling polyolefin plastic waste at short contact times via rapid joule heating

Abstract The chemical deconstruction of polyolefins to fuels, lubricants, and waxes offers a promising strategy for mitigating their accumulation in landfills and the environment. Yet, achieving true recyclability of polyolefins into C 2 -C 4 monomers with high yields, low energy demand, and low carbon dioxide emissions under realistic polymer-to-catalyst ratios remains elusive. Here, we demonstrate a single-step electrified approach utilizing Rapid Joule Heating over an H-ZSM-5 catalyst to efficiently deconstruct polyolefin plastic waste into light olefins (C 2 -C 4 ) in milliseconds, with high productivity at much higher polymer-to-catalyst ratio than prior work. The catalyst is essential in producing a narrow distribution of light olefins. Pulsed operation and steam co-feeding enable highly selective deconstruction (product fraction of >90% towards C 2 -C 4 hydrocarbons) with minimal catalyst deactivation compared to Continuous Joule Heating. This laboratory-scale approach demonstrates effective deconstruction of real-life waste materials, resilience to additives and impurities, and versatility for circular polyolefin plastic waste management.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Root Cause Analysis of Degradation in Protonic Ceramic Electrochemical Cell with Interfacial Electrical Sensors Using Data‐Driven Machine Learning

Abstract Protonic ceramic electrochemical cells (PCECs) offer promising paths for energy storage and conversion. Despite considerable achievements made, PCECs still face challenges such as physiochemical compatibility between componenets and suboptimal solid–solid contact at the interfaces between the electrolytes and electrodes. In this study, a novel approach is proposed that combines in situ electrochemical characterization of interfacial electrical sensor embedded PCECs and machine learning to quantify the contributions of different cell components to total degradation, as well as to predict the remaining useful life. The experimental results suggest that the overpotential induced by the oxygen electrode is 48% less than that of oxygen electrode/electrolyte interfacial contact for up to 1171 h. The data‐driven machine learning simulation predicts the RUL of up to 2132 h. The root cause of degradation is overpotential increase induced by oxygen electrode, which accounts for 82.9% of total cell degradation. The success of the failure diagnostic model is demonstrated by its consistency with degradation modes that do not manifest in electrolysis fade during early real operations. This synergistic approach provides valuable insights into practical failure diagnosis of PCECs and has the potential to revolutionize their development by enabling improved performance prediction and material selection for enhanced durability and efficiency.

25 ENERGY STORAGE↗

NASA NTRS1994

A strategy for electronic dissemination of NASA Langley technical publications

To demonstrate NASA Langley Research Center's relevance and to transfer technology to external customers in a timely and efficient manner, Langley has formed a working group to study and recommend a course of action for the electronic dissemination of technical reports (EDTR). The working group identified electronic report requirements (e.g., accessibility, file format, search requirements) of customers in U.S. industry through numerous site visits and personal contacts. Internal surveys were also used to determine commonalities in document preparation methods. From these surveys, a set of requirements for an electronic dissemination system was developed. Two candidate systems were identified and evaluated against the set of requirements: the Full-Text Electronic Documents System (FEDS), which is a full-text retrieval system based on the commercial document management package Interleaf, and the Langley Technical Report Server (LTRS), which is a Langley-developed system based on the publicly available World Wide Web (WWW) software system. Factors that led to the selection of LTRS as the vehicle for electronic dissemination included searching and viewing capability, current system operability, and client software availability for multiple platforms at no cost to industry. This report includes the survey results, evaluations, a description of the LTRS architecture, recommended policy statement, and suggestions for future implementations.

Roper, Donna G.↗

DOE OSTI2022

Catalytic Conversion of Model Compounds of Plastic Pyrolysis Oil over ZSM-5

Mechanistic investigation of the catalytic conversion of model compounds for plastic pyrolysis oil (1-octene, octadiene, octane, and toluene) over ZSM-5 in a fixed-bed reactor was studied. 1-Octene breaks down into smaller olefins, which undergo further cracking, oligomerization, cyclization, and hydrogen transfer to eventually produce benzene, toluene, xylene (BTX), coke, and hydrogen. The effect of contact time on 1-octene conversion was further investigated and compared with thermodynamics analyses to elucidate the reaction network. Under the reaction conditions (500 oC, 1 atm), octadiene undergoes thermal coking, significantly contributing to reactor fouling. The products from octane cracking are similar to the products from 1-octene conversion whereas toluene undergoes disproportionation, dealkylation and coking. The analysis of spent catalyst showed long-chain hydrocarbons created by oligomerization reactions filled the pores and covered the surface of the catalyst. As a result, when mesoporous ZSM-5 is used instead of conventional, product selectivity is maintained for 70 hours in time-on-stream experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Enhanced alcohol production over binary Mo/Co carbide catalysts in syngas conversion

Recently metal carbide catalysts have attracted attention as alternatives to pure metals for the conversion of syngas to higher oxygenates, a process which could enable the sustainable production of fuels, polymers, and chemicals. Although Mo and Co carbides have both shown promise for higher oxygenate production, they have not achieved the requisite activity and selectivity for practical implementation. In this work we synthesize and characterize a binary Mo and Co carbide catalyst that exhibits improved activity and oxygenate selectivity relative to either pure metal carbide. In this work, we apply a combination of advanced electron microscopy and X-ray diffraction to show that the binary Mo/Co carbide catalyst forms uniformly mixed amorphous nanoparticles. Through in situ X-ray absorption spectroscopy studies, we determine that the structure of the mixed metal carbide catalyst under reaction conditions consists of both carbidic and bimetallic components. By testing the catalytic properties of a series of Mo/Co carbide catalysts prepared by different synthesis methods, we find that the Mo and Co sites must be in close contact to achieve improved syngas conversion to higher alcohols. Through in situ DRIFTS measurements, both Mo and Co atoms at the surface of the catalyst are identified as adsorption sites for reactive species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Vapor-phase grafting of functional silanes on atomic layer deposited Al 2 O 3

Fundamental studies are needed to advance our understanding of selective adsorption in aqueous environments and develop more effective sorbents and filters for water treatment. Vapor-phase grafting of functional silanes is an effective method to prepare well-defined surfaces to study selective adsorption. In this investigation, we perform vapor phase grafting of five different silane compounds on aluminum oxide (Al2O3) surfaces prepared by atomic layer deposition. These silane compounds have the general formula L3Si–C3H6–X where the ligand, L, controls the reactivity with the hydroxylated Al2O3 surface and the functional moiety, X, dictates the surface properties of the grafted layer. We study the grafting process using in situ Fourier transform infrared spectroscopy and ex situ x-ray photoelectron spectroscopy measurements, and we characterize the surfaces using scanning electron microscopy, atomic force microscopy, and water contact angle measurements. Here, we found that the structure and density of grafted aminosilanes are influenced by their chemical reactivity and steric constraints around the silicon atom as well as by the nature of the anchoring functional groups. Methyl substituted aminosilanes yielded more hydrophobic surfaces with a higher surface density at higher grafting temperatures. Thiol and nitrile terminated silanes were also studied and compared to the aminosilane terminated surfaces. Uniform monolayer coatings were observed for ethoxy-based silanes, but chlorosilanes exhibited nonuniform coatings as verified by atomic force microscopy measurements.

36 MATERIALS SCIENCE↗

NASA NTRS2017

Design of an Axisymmetric Afterbody Test Case for CFD Validation

As identified in the CFD Vision 2030 Study commissioned by NASA, validation of advanced RANS models and scale-resolving methods for computing turbulent flow fields must be supported by continuous improvements in fundamental, high-fidelity experiments designed specifically for CFD implementation. In accordance with this effort, the underpinnings of a new test platform referred to herein as the NASA Axisymmetric Afterbody are presented. The devised body-of-revolution is a modular platform consisting of a forebody section and afterbody section, allowing for a range of flow behaviors to be studied on interchangeable afterbody geometries. A body-of-revolution offers advantages in shape definition and fabrication, in avoiding direct contact with wind tunnel sidewalls, and in tail-sting integration to facilitate access to higher Reynolds number tunnels. The current work is focused on validation of smooth-body turbulent flow separation, for which a six-parameter body has been developed. A priori RANS computations are reported for a risk-reduction test configuration in order to demonstrate critical variation among turbulence model results for a given afterbody, ranging from barely-attached to mild separated flow. RANS studies of the effects of forebody nose (with/without) and wind tunnel boundary (slip/no-slip) on the selected afterbody are presented. Representative modeling issues that can be explored with this configuration are the effect of higher Reynolds number on separation behavior, flow physics of the progression from attached to increasingly-separated afterbody flows, and the effect of embedded longitudinal vortices on turbulence structure.

Disotell, Kevin J.↗

DOE OSTI2023

CO 2 Hydrogenation: Na Doping Promotes CO and Hydrocarbon Formation over Ru/m-ZrO 2 at Elevated Pressures in Gas Phase Media

Sodium-promoted monoclinic zirconia supported ruthenium catalysts were tested for CO 2 hydrogenation at 20 bar and a H 2 :CO 2 ratio of 3:1. Although increasing sodium promotion, from 2.5% to 5% by weight, slightly decreased CO 2 conversion (14% to 10%), it doubled the selectivity to both CO (~36% to ~71%) and chain growth products (~4% to ~8%) remarkably and reduced the methane selectivity by two-thirds (~60% to ~21%). For CO 2 hydrogenation during in situ DRIFTS under atmospheric pressure, it was revealed that Na increases the catalyst basicity and suppresses the reactivity of Ru sites. Higher basicity facilitates CO 2 adsorption, weakens the C–H bond of the formate intermediate promoting CO formation, and inhibits methanation occurring on ruthenium nanoparticle surfaces. The suppression of excessive hydrogenation increases the chain growth probability. Decelerated reduction during H 2 -TPR/TPR-MS and H 2 -TPR-EXAFS/XANES at the K-edge of ruthenium indicates that sodium is in contact with ruthenium. A comparison of the XANES spectra of unpromoted and Na-promoted catalysts after H 2 reduction showed no evidence of a promoting effect involving electron charge transfer.

36 MATERIALS SCIENCE↗

NASA NTRS2012

Analog Exercise Hardware to Implement a High Intensity Exercise Program During Bed Rest

Background: In order to evaluate novel countermeasure protocols in a space flight analog prior to validation on the International Space Station (ISS), NASA's Human Research Program (HRP) is sponsoring a multi-investigator bedrest campaign that utilizes a combination of commercial and custom-made exercise training hardware to conduct daily resistive and aerobic exercise protocols. This paper will describe these pieces of hardware and how they are used to support current bedrest studies at NASA's Flight Analog Research Unit in Galveston, TX. Discussion: To implement candidate exercise countermeasure studies during extended bed rest studies the following analog hardware are being utilized: Stand alone Zero-Gravity Locomotion Simulator (sZLS) -- a custom built device by NASA, the sZLS allows bedrest subjects to remain supine as they run on a vertically-oriented treadmill (0-15 miles/hour). The treadmill includes a pneumatic subject loading device to provide variable body loading (0-100%) and a harness to keep the subject in contact with the motorized treadmill to provide a ground reaction force at their feet that is quantified by a Kistler Force Plate. Supine Cycle Ergometer -- a commercially available supine cycle ergometer (Lode, Groningen, Netherlands) is used for all cycle ergometer sessions. The ergometer has adjustable shoulder supports and handgrips to help stabilize the subject during exercise. Horizontal Squat Device (HSD) -- a custom built device by Quantum Fitness Corp (Stafford, TX), the HSD allows for squat exercises to be performed while lying in a supine position. The HSD can provide 0 to 600 pounds of force in selectable 5 lb increments, and allows hip translation in both the vertical and horizontal planes. Prone Leg Curl -- a commercially available prone leg curl machine (Cybex International Inc., Medway, MA) is used to complete leg curl exercises. Horizontal Leg Press -- a commercially available horizontal leg press (Quantum Fitness Corporation) is used for leg press and heel raise exercises. Minor modifications were made to the device including adding 200 lbs to the weight stack, raising the frame by 12 inches, making the footplate adjustable, and providing removable handles. Conclusion: A combination of novel and commercial exercise hardware are used to mimic the exercise hardware capabilities aboard the ISS, allowing scientific investigation of new countermeasure protocols in a space flight analog prior to flight validation

Loerch, Linda↗

DOE OSTI2020

Interfaces and Interphases in All-Solid-State Batteries with Inorganic Solid Electrolytes

Not provided.

Chemistry↗

DOE OSTI2024

Potent Inhibition of E. coli DXP Synthase by a gem -Diaryl Bisubstrate Analog

New antimicrobial strategies are needed to address pathogen resistance to currently used antibiotics. Bacterial central metabolism is a promising target space for the development of agents that selectively target bacterial pathogens. 1-Deoxy- D -xylulose 5-phosphate synthase (DXPS) converts pyruvate and d-glyceraldehyde 3-phosphate ( D -GAP) to DXP, which is required for synthesis of essential vitamins and isoprenoids in bacterial pathogens. Thus, DXPS is a promising antimicrobial target. Toward this goal, our lab has demonstrated selective inhibition of Escherichia coli DXPS by alkyl acetylphosphonate (alkylAP)-based bisubstrate analogs that exploit the requirement for ternary complex formation in the DXPS mechanism. Here, we present the first DXPS structure with a bisubstrate analog bound in the active site. Insights gained from this cocrystal structure guided structure–activity relationship studies of the bisubstrate scaffold. A low nanomolar inhibitor (compound 8) bearing a gem-dibenzyl glycine moiety conjugated to the acetylphosphonate pyruvate mimic via a triazole-based linker emerged from this study. Compound 8 was found to exhibit slow, tight-binding inhibition, with contacts to E. coli DXPS residues R99 and R478 demonstrated to be important for this behavior. This work has discovered the most potent DXPS inhibitor to date and highlights a new role of R99 that can be exploited in future inhibitor designs toward the development of a novel class of antimicrobial agents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

1,8-Dihydroxy Naphthalene—A New Building Block for the Self-Assembly with Boronic Acids and 4,4′-Bipyridine to Stable Host–Guest Complexes with Aromatic Hydrocarbons

The new Lewis acid–base adducts of general formula X(nad)B←NC5H4-C5H4N→B(nad)X [nad = 1,8-O2C10H6, X = C6H5 (2c), 3,4,5-F3-C6H2 (2d)] were synthesized in high yields via reactions of 1,8-dihydroxy naphthalene [nadH2] and 4,4′-bipyridine with the aryl boronic acids C6H5B(OH)2 and 3,4,5-F3-C6H2B(OH)2, respectively, and structurally characterized by multi-nuclear NMR spectroscopy and SCXRD. Self-assembled H-shaped Lewis acid–base adduct 2d proved to be effective in forming thermally stable host–guest complexes, 2d × solvent, with aromatic hydrocarbon solvents such as benzene, toluene, mesitylene, aniline, and m-, p-, and o-xylene. Crystallographic analysis of these solvent adducts revealed host–guest interactions to primarily occur via π···π contacts between the 4,4′-bipyridyl linker and the aromatic solvents, resulting in the formation of 1:1 and 1:2 host–guest complexes. Thermogravimetric analysis of the isolated complexes 2d × solvent revealed their high thermal stability with peak temperatures associated with the loss of solvent ranging from 122 to 147 °C. 2d, when self-assembled in an equimolar mixture of m-, p-, and o-xylene (1:1:1), preferentially binds to o-xylene. Collectively, these results demonstrate the ability of 1,8-dihydroxy naphthalene to serve as an effective building block in the selective self-assembly to supramolecular aggregates through dative covalent N→B bonds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1977

Variation in stable carbon isotopes in organic matter from the Gunflint Iron Formation

Results are presented for an isotopic analysis of the kerogen separated from 15 samples of the Gunflint Iron Formation, Ontario, and the conformably overlying Rove Formation. Reasons for which the Gunflint Iron Formation is suitable for such a study of a single Precambrian formation are identified. The general geology of the formation is outlined along with sample selection, description, and preparation. Major conclusions are that the basal Gunflint algal chert and shale facies are depleted in C-13 relative to the chert-carbonate and taconite facies, that differences in the delta C-13 values between Gunflint facies correlate with marked differences in their biological source materials as evidenced by their respective microbiotas, that the anthraxolites are anomalously depleted in C-13 relative to the kerogen of their encompassing cherts and shales, and that the effects of igneous intrusion and concomitant thermal alteration are shown by a marked loss of C-12 at the contact. The demonstration that not all kerogens are isotopically alike stresses the importance of facies data to the interpretation of C-13/C-12 ratios of ancient organic matter.

Barghoorn, E. S.↗

NASA NTRS2008

2007 Research and Technology

The NASA Glenn Research Center is pushing the envelope of research and technology in aeronautics, space exploration, science, and space operations. Our research in aeropropulsion, structures and materials, and instrumentation and controls is enabling next-generation transportation systems that are faster, more environmentally friendly, more fuel efficient, and safer. Our research and development of space flight systems is enabling advanced power, propulsion, communications, and human health systems that will advance the exploration of our solar system. This report selectively summarizes NASA Glenn Research Center s research and technology accomplishments for fiscal year 2007. Comprising 104 short articles submitted by the staff scientists and engineers, the report is organized into six major sections: Aeropropulsion, Power and Space Propulsion, Communications, Space Processes and Experiments, Instrumentation and Controls, and Structures and Materials. It is not intended to be a comprehensive summary of all the research and technology work done over the past fiscal year; most of the work is reported in Glenn-published technical reports, journal articles, and presentations. For each article in this report, a Glenn contact person has been identified, and where possible, a reference document is listed so that additional information can be easily obtained.

Riddlebaugh, Stephen M.↗