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Results for “Reusability”

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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Advance modification of polyacrylonitrile nanofibers for enhanced removal of hexavalent chromium from water

Hexavalent chromium [Cr(VI)] is a known carcinogenic and mutagenic heavy metal. Its level in drinking water is regulated worldwide to protect public health. This work presents a novel chemical method to modify the polyacrylonitrile (PAN) nanofibers for efficient Cr(VI) removal from water. The PAN nanofibers with an average diameter of 165 nm are produced using the electrospinning technique. Through a 2-step chemical modification process, the amidine polyacrylonitrile (APAN) nanofibers are synthesized by the conversion of nitrile groups [—C≡N] in PAN nanofibers into amidines [—C(N=NH)(NH 2 )]. The attenuated total reflectance Fourier transform (ATR-FTIR) spectroscopy revealed the successful conversion of nitrile groups into amidoximes, resulting in amidoximated polyacrylonitrile nanofibers, and subsequent conversion into amidine functional groups, forming the APAN nanofibers. Greater concentration of hydroxylamine hydrochloride, increased reaction time and temperature yielded higher conversion of nitrile groups into amidoximes to a maximum of 37%. The Cr(VI) uptake by APAN nanofibers was found as a multilayer adsorption process modeled by Freundlich isotherm. The maximum Langmuir Cr(VI) adsorption capacity for APAN nanofibers was found as 225 mg g -1 at pH = 3.0 after 4.0 h exposure duration. The regeneration study revealed the excellent reusability of APAN nanofibers after five adsorption/desorption cycles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Upcycling Real‐World Post‐Consumer Polyolefins Plastics Into Light Olefins Via Microwave‐Assisted Processing

The rapid accumulation of plastic waste, particularly post-consumer polyolefins (POs) pose severe environmental and economic challenges worldwide. Recycling of post-consumer POs remains inefficient due to difficulties in separating mixed plastics, complex additives compositions, and high processing costs, resulting in recycling rates of less than 9%. To address these critical issues, this study utilized an innovative microwave-assisted catalytic upcycling approach for the efficient upcycling of complex post-consumer POs mixtures into valuable light olefins. Using the microwave-assisted catalytic upcycling approach, gas yields reached up to 80 wt.% from post-consumer POs mixtures, accompanied by a high selectivity (>70 wt.%) toward valuable light olefins. The upcycling of POs under microwave conditions is fully invested, including additives in real-word plastics, mixtures of different POs, reusability of catalyst, and more. The microwave-assisted catalytic upcycling approach offers an efficient, scalable, and cost-effective solution for upcycling post-consumer plastic mixtures, thereby advancing the principles of a circular economy.

42 ENGINEERING↗
DOE OSTI2020

Large-Scale Plasmonic Hybrid Framework with Built-In Nanohole Array as Multifunctional Optical Sensing Platforms

Light coupling with patterned subwavelength hole arrays induces enhanced transmission supported by the strong surface plasmon mode. In this work, a nanostructured plasmonic framework with vertically built-in nanohole arrays at deep-subwavelength scale (6 nm) is demonstrated using a two-step fabrication method. The nanohole arrays are formed first by the growth of a high-quality two-phase (i.e., Au–TiN) vertically aligned nanocomposite template, followed by selective wet-etching of the metal (Au). Such a plasmonic nanohole film owns high epitaxial quality with large surface coverage and the structure can be tailored as either fully etched or half-way etched nanoholes via careful control of the etching process. The chemically inert and plasmonic TiN plays a role in maintaining sharp hole boundary and preventing lattice distortion. Optical properties such as enhanced transmittance and anisotropic dielectric function in the visible regime are demonstrated. Numerical simulation suggests an extended surface plasmon mode and strong field enhancement at the hole edges. Furthermore, two demonstrations, including the enhanced and modulated photoluminescence by surface coupling with 2D perovskite nanoplates and the refractive index sensing by infiltrating immersion liquids, suggest the great potential of such plasmonic nanohole array for reusable surface plasmon-enhanced sensing applications.

42 ENGINEERING↗
DOE OSTI2025

Heterogeneous Catalysis by Fullerene C 60 : Photocatalytic Dehydro‐Dimerization of Primary Amines and Tetrahydroquinolines Studied Using Thread Spray Mass Spectrometry

Abstract Removal of a catalyst after a catalytic process is a time‐consuming and challenging process. In this paper, a fullerene catalyst coated on cellulose thread is developed and applied it in a heterogeneous photoreaction screening via a thread spray mass spectrometry (MS) platform. The surface of the cellulose thread is modified with NH 2 groups, which subsequently allows immobilization of fullerene C 60 on the thread. The final fullerene functionalized thread is placed in a glass capillary and the solution of the reactant to be interrogated is added. The assembly of thread and glass capillary is placed in front of a mass spectrometer, which serves as an online photoreaction platform after a light source and direct current high voltage are applied. As an ambient ionization approach, the photocatalytic reaction screening platform enabled real‐time MS characterization of products and intermediates and using only nanomole quantities of reactants. Fullerene C 60 is identified to facilitate dehydro‐dimerization reactions from amines. Norharmane shows a unique photo‐oxygenated dimer formation. The functionalized threads immobilized with fullerene C 60 are reusable, confirming the heterogeneous nature of the platform. Thus, this system provided real‐time screening of reactions catalyzed by fullerene C 60 and a means to investigate the reaction mechanism.

Chemistry↗
DOE OSTI2025

Enhancing the Multifunctional Photocatalytic Activity of Sustainable Magnetic Nanoparticles

The development of efficient photocatalytic materials has intensified in response to increasing emphasis on sustainable energy conversion and environmental restoration. However, the excessive use and indiscriminate release of heavy metals from photocatalytic nanoparticles pose potential environmental risks. This study provides insights into optimizing visible-light-active photocatalysts to enhance their photocatalytic properties and stability. Specifically, cobalt doping and controlled pH modulation are employed on the modified Fe 3 O 4 , forming two distinct samples: Co@Fe 3 O 4 -B (base-treated) and Co@Fe 3 O 4 -A (acid-treated) nanoparticles. Microscopic characterization reveals that Co@Fe 3 O 4 -A undergoes a phase transition to hematite, whereas Co@Fe 3 O 4 -B retains its mixed-phase configuration. Spectroscopic analyses confirm that the cobalt dopants decorate the outskirts of each nanoparticle, forming a core–shell structure. However, Co@Fe 3 O 4 -B exhibit Co 2+ states with a high oxygen vacancy content, whereas Co@Fe 3 O 4 -A contain mixed Co 2+/3+ states. The high density of defect states in the Co@Fe 3 O 4 -B results in superior photocatalytic efficiency, achieving near-complete oxidation of furfuraldehyde (97% conversion) and 5-hydroxymethylfurfural (94% conversion), as well as effective degradation of toluene (78% conversion). This study demonstrates that the combined approach of doping and pH treatment is promising for the surface-defect engineering of photocatalysts, enhancing their multifunctional performance and reusability for sustainable energy conversion.

Fe3 O4 nanoparticles↗
DOE OSTI2022

A Survey on Sustainable Software Ecosystems to Support Experimental and Observational Science at Oak Ridge National Laboratory

In the search for a sustainable approach for software ecosystems that supports experimental and observational science (EOS) across Oak Ridge National Laboratory (ORNL), we conducted a survey to understand the current and future landscape of EOS software and data. This paper describes the survey design we used to identify significant areas of interest, gaps, and potential opportunities, followed by a discussion on the obtained responses. The survey formulates questions about project demographics, technical approach, and skills required for the present and the next five years. The study was conducted among 38 ORNL participants between June and July of 2021 and followed the required guidelines for human subjects training. We plan to use the collected information to help guide a vision for sustainable, community-based, and reusable scientific software ecosystems that need to adapt effectively to: i) the evolving landscape of heterogeneous hardware in the next generation of instruments and computing (e.g. edge, distributed, accelerators), and ii) data management requirements for data-driven science using artificial intelligence.

Bernholdt, David↗
DOE OSTI2024

Riverine dissolved organic matter transformations increase with watershed area, water residence time, and Damköhler numbers in nested watersheds

Abstract Quantifying the relative influence of factors and processes controlling riverine ecosystem function is essential to predicting future conditions under global change. Dissolved organic matter (DOM) is a fundamental component of riverine ecosystems that fuels microbial food webs, influences nutrient and light availability, and represents a significant carbon flux globally. The heterogeneous nature of DOM molecular composition and its propensity for interaction (i.e., functional diversity) can characterize riverine ecosystem function across spatiotemporal scales. To investigate fundamental drivers of DOM diversity, we collected seasonal water samples from 42 nested locations within five watersheds spanning multiple watershed sizes (~ 5 to 30,000 km 2 ) across the United States. Patterns in DOM molecular richness, aromaticity, relative abundance of N-containing formulas, and putative biochemical transformations derived from high-resolution mass spectrometry were assessed across gradients of explanatory variables associated with watershed characteristics (e.g., watershed area, water residence time, land cover). We found that putative biochemical transformations were more strongly related to explanatory variables across watersheds than common bulk DOM parameters and that watershed area, surface water residence time and derived Damköhler numbers representing DOM reactivity timescales were strong predictors of DOM diversity. The data also indicate that catchment-specific land cover factors can significantly influence DOM diversity in diverging directions. Overall, the results highlight the importance of considering water residence time and land cover when interpreting longitudinal patterns in DOM chemistry and the continued challenge of identifying generalizable drivers that are transferable across watershed and regional scales for application in Earth system models. This work also introduces a Findable Accessible Interoperable Reusable (FAIR) dataset (> 300 samples) to the community for future syntheses.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

An empirical investigation of organic software product lines

Abstract Software product line engineering is a best practice for managing reuse in families of software systems that is increasingly being applied to novel and emerging domains. In this work we investigate the use of software product line engineering in one of these new domains, synthetic biology. In synthetic biology living organisms are programmed to perform new functions or improve existing functions. These programs are designed and constructed using small building blocks made out of DNA. We conjecture that there are families of products that consist of common and variable DNA parts, and we can leverage product line engineering to help synthetic biologists build, evolve, and reuse DNA parts. In this paper we perform an investigation of domain engineering that leverages an open-source repository of more than 45,000 reusable DNA parts. We show the feasibility of these new types of product line models by identifying features and related artifacts in up to 93.5% of products, and that there is indeed both commonality and variability. We then construct feature models for four commonly engineered functions leading to product lines ranging from 10 to 7.5 × 10 20 products. In a case study we demonstrate how we can use the feature models to help guide new experimentation in aspects of application engineering. Finally, in an empirical study we demonstrate the effectiveness and efficiency of automated reverse engineering on both complete and incomplete sets of products. In the process of these studies, we highlight key challenges and uncovered limitations of existing SPL techniques and tools which provide a roadmap for making SPL engineering applicable to new and emerging domains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Ad Hoc File Systems for High-Performance Computing

Storage backends of parallel compute clusters are still based mostly on magnetic disks, while newer and faster storage technologies such as flash-based SSDs or non-volatile random access memory (NVRAM) are deployed within compute nodes. Including these new storage technologies into scientific workflows is unfortunately today a mostly manual task, and most scientists therefore do not take advantage of the faster storage media. One approach to systematically include nodelocal SSDs or NVRAMs into scientific workflows is to deploy ad hoc file systems over a set of compute nodes, which serve as temporary storage systems for single applications or longer-running campaigns. This paper presents results from the Dagstuhl Seminar 17202 “Challenges and Opportunities of User-Level File Systems for HPC” and discusses application scenarios as well as design strategies for ad hoc file systems using node-local storage media. The discussion includes open research questions, such as how to couple ad hoc file systems with the batch scheduling environment and how to schedule stage-in and stage-out processes of data between the storage backend and the ad hoc file systems. Also presented are strategies to build ad hoc file systems by using reusable components for networking and how to improve storage device compatibility. Various interfaces and semantics are presented, for example those used by the three ad hoc file systems BeeOND, GekkoFS, and BurstFS. Their presentation covers a range from file systems running in production to cutting-edge research focusing on reaching the performance limits of the underlying devices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Real-Time and Online Monitoring of Glucose Contents by Using Molecular Imprinted Polymer-Based IDEs Sensor

A highly sensitive, selective, reversible, and reusable glucose sensor is developed by using molecularly imprinted polymer-based artificial receptors onto interdigital transducer. Sensor receptors were synthesized through bulk imprinting technology by using styrene as monomer, ethylene glycol dimethacrylate (EGDMA) as cross-linker, and AIBN as free radical initiator. Topography of the synthesized receptors was investigated by scanning electron microscopy (SEM). Fabricated sensor showed concentration-dependent linear and reversible response with lower limit of detection of 30 ppb and upper limit of detection ~ 500 ppm. Furthermore, newly fabricated sensor is highly selective towards its analyte of interest in the presence of other competing agents, and the regeneration of sensor response has been assessed with the percentage error of less than 2% under the period of 1 year at room temperature and pressure conditions. The reported sensor may have potential technological applications in the field of medical diagnostics, food, and pharmaceutical industry.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Evolution of AISI 304L stainless steel part properties due to powder recycling in laser powder-bed fusion

Selective laser melting (SLM) is a powder-bed fusion process in Additive Manufacturing (AM) that uses a laser beam to selectively fuse layers of powder into near net-shape components with little porosity. However, inconsistencies in the part properties due to the presence of defects in as-built components has hindered the widespread adoption of SLM for industrial applications forcing researchers to study the sources of variation for quality control purposes. A critical area suspected of creating variation in the part properties is the feedstock, where batch-to-batch differences as well as changes in the powder properties with reuse have the potential to affect performance. During processing, laser spatter and condensate eject from the melt pool and deposit into the powder-bed surrounding the parts. These particulates, more commonly known as ejecta, differ morphologically and chemically from the virgin powder compromising its reusability. In this study, 304L stainless steel powder was recycled for a total of 5 times through a systematic approach aimed at accelerating powder degradation to reveal the influence on both the tensile and impact toughness properties. Through analysis of variance (ANOVA), it was found that tensile properties did not change with reuse, while the impact toughness showed a steady decline illustrating the differences in static and dynamic part properties due to powder recycling.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Heterogeneous photo-Fenton-like degradation of emerging pharmaceutical contaminants in wastewater using Cu-doped MgO nanoparticles

In this study, a facile thermal decomposition method was utilized to synthesize Cu-doped MgO nanoparticles possessing mesoporosity. These mesoporous Cu doped MgO nanoparticles were shown to be efficient photo-Fenton-like catalysts for the degradation of emerging pharmaceutical contaminants in wastewater and were able to completely oxidize salicylic acid within 1 hour under optimized conditions. Tetracycline was shown to be converted to other intermediates with a large portion of it undergoing full mineralization. Batch experiments were conducted to demonstrate the effects of Cu loading on MgO, overall catalyst loading, and H 2 O 2 concentration on the salicylic acid and tetracycline conversion and rate constants. Quenching experiments revealed that both •OH radicals or HO 2 •/•O 2 - radicals were involved in the reaction, with the latter showing a higher contribution. The surface dissolution of MgO was shown to facilitate a high pH environment which completely prevented Cu from leaching out of the catalyst while retaining high activity. The catalyst reusability was shown to be satisfactory with high activity and conversion being preserved over five cycles.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2022

Ni/SiO 2 catalysts for polyolefin deconstruction via the divergent hydrogenolysis mechanism

Noble metal-based hydrogenolysis is emerging as a key chemical deconstruction technology of polyolefins into valuable products. Still, the catalyst cost and availability are significant barriers to handling the large volume of plastics. Cheap earth-abundant metals have been deemed inactive for polyolefin hydrogenolysis. Herein, we report that Ni/SiO 2 is active in deconstructing low-density polyethylene to n-alkanes (C 6 -C 35 ) at mild conditions (300 °C, 30barH 2 ) with maximum liquid yields of 65 wt%. In this study, we expose a new mechanism of long-alkane hydrogenolysis that encompasses chain location-dependent single and multiple C-C bond cracking events and rationalizes product selectivity and molecular weight dependence. Ni/SiO 2 catalysts are reusable and can handle multiple plastics producing feedstock-dependent products (i.e., n-alkanes, iso-alkanes, cyclics, aromatics, etc.). The findings broaden the scope of viable catalysts polyolefin hydrogenolysis and unleash the potential to manage the volume of plastic waste.

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

Technologies and policies to decarbonize global industry: Review and assessment of mitigation drivers through 2070

Fully decarbonizing global industry is essential to achieving climate stabilization, and reaching net zero greenhouse gas emissions by 2050–2070 is necessary to limit global warming to 2 °C. This paper assembles and evaluates technical and policy interventions, both on the supply side and on the demand side. It identifies measures that, employed together, can achieve net zero industrial emissions in the required timeframe. Key supply-side technologies include energy efficiency (especially at the system level), carbon capture, electrification, and zero-carbon hydrogen as a heat source and chemical feedstock. There are also promising technologies specific to each of the three top-emitting industries: cement, iron & steel, and chemicals & plastics. These include cement admixtures and alternative chemistries, several technological routes for zero-carbon steelmaking, and novel chemical catalysts and separation technologies. Crucial demand-side approaches include material-efficient design, reductions in material waste, substituting low-carbon for high-carbon materials, and circular economy interventions (such as improving product longevity, reusability, ease of refurbishment, and recyclability). Strategic, well-designed policy can accelerate innovation and provide incentives for technology deployment. High-value policies include carbon pricing with border adjustments or other price signals; robust government support for research, development, and deployment; and energy efficiency or emissions standards. These core policies should be supported by labeling and government procurement of low-carbon products, data collection and disclosure requirements, and recycling incentives. In implementing these policies, care must be taken to ensure a just transition for displaced workers and affected communities. Similarly, decarbonization must complement the human and economic development of low- and middle-income countries.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Generalized synthesis of high surface area mesoporous metal titanates as efficient heterogeneous catalysts

A novel metal dissolution coupled with reverse micelle formation approach is used as a generalized synthesis method for a series of high surface area metal titanates where the metals used are Bi, Mg, V, Mn, Fe, Co, Ni, Cu, Zn, Mo, W, and Ce. This study reports the highest surface areas published so far. The homogeneous distributions of the metals and titanium are observed in SEM-EDX and TEM mapping. The synthesized materials were comprehensively characterized using PXRD, Raman, nitrogen adsorption isotherms, SEM; EDX, TEM, TEM mapping, TGA, and XPS. The green catalytic oxidation of aniline to nitrosobenzene occurs within 30 min at room temperature when mesoporous W/Ti binary metal oxide is used as the catalyst. The radical mediated catalytic reaction gives excellent yields and the catalyst is reusable up to 4 reaction cycles without losing significant activity.

36 MATERIALS SCIENCE↗
DOE OSTI2020

High surface area mesoporous tungsten oxide for fast, green oxidation of organosulfur compounds in crude oil

Mesoporous, multi-valent tungsten oxide with high surface area (209 m 2 /g) is synthesized via a novel metal dissolution coupled with reverse micelle formation approach. Mesoporous tungsten oxide with highest surface area reported is obtained by this method. The material is used as an excellent heterogeneous catalyst for the oxidation of organosulfur compounds present in crude oil. The complete oxidation of dibenzothiophene was observed with excellent yield (>99%) within 15 min at room temperature (20 °C). The catalyst is reusable up to 5 reaction cycles without losing significant activity. A green oxidant, H 2 O 2 is used and the reaction mechanism involves the activation of peroxo species by W 6+ . The oxidation activity decreases in the order of DBT > 4,6-DMDBT > 1-BT due to the changes in the electronic environment of sulfur and steric effects.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Unlocking naphtha from polyolefins using Ni-based hydrocracking catalysts

Naphtha (C 5 -C 12 alkanes) is a platform feedstock in the petroleum industry and an ideal target for reutilizing plastic waste at scale. Hydrocracking has emerged as a promising technology for deconstructing polyolefins to naphtha. However, contemporary catalysts rely on Pt to achieve high rates, while earth-abundant metals (EAM) perform poorly. Herein, we develop high-performance Ni/BEA catalysts for polyolefin hydrocracking, achieving complete low-density polyethylene (LDPE) deconstruction with 80 % maximum naphtha yield within 12 h at 250 °C, 60 bar H 2 , and a catalyst-to-polymer ratio of 1:100. These catalysts are versatile, accommodating virgin resins and commercial polymer products, and are directly reusable and regenerable. Comparative analysis highlights that 5Ni/BEA(25) exhibits the highest naphtha productivity of 11.4 $\huge{(}$$\frac{g_{Naphtha}}{g_{cat}{•h}}$$\huge{)}$, surpassing previously reported Pt- and EAM-based catalysts by 2.5–6.2x. Technoeconomic and life-cycle analyses reveal naphtha from LDPE hydrocracking is economically and environmentally competitive to fossil-fuel-derived naphtha. In conclusion, these advancements pave the way for the industrial implementation of earth-abundant Ni-based catalysts in polyolefin hydrocracking, followed by retrofitting steam crackers to address plastics waste at scale.

Circular Economy↗
DOE OSTI2025

Investigating the Role of Acid Sites in the Hydrocracking of Polyethylene-EVOH Multilayer Film Waste over Pt/BEA Catalyst

Multilayer polymer films (MFs) containing poly(ethylene-co-vinyl alcohol) (EVOH) and polyolefins are ubiquitous in single-use food and medical packaging. MFs are currently landfilled or incinerated rather than mechanically recycled because of the processing difficulties associated with their form factor and complex multicomponent structures. Advanced chemical recycling is a promising solution. Prior reports have explored hydrogenolysis and hydrodeoxygenation to convert EVOH, but these technologies are limited by catalyst deactivation and slow apparent kinetics, respectively. Alternatively, in this work, we demonstrate the efficient hydrocracking of commercial MFs into naphtha range (C5-C12) alkanes over platinum (Pt) supported on acidic zeolites. Mixtures of low-density polyethylene (LDPE) and EVOH are utilized as MF surrogates to gain fundamental insights. Pt deposited on BEA supports with varying Lewis acid site (LAS) concentrations are synthesized and tested for hydrocracking. Surprisingly, Pt/BEA with high LAS concentrations demonstrate improved activity for LPDE/EVOH blends over LDPE alone. In contrast, LAS concentrations are shown to have no influence on LDPE hydrocracking. LAS and Brønsted acid sites (BAS) catalyze the dehydration of EVOH to form water, which improves LDPE hydrocracking. Polyaromatics formed primarily via EVOH thermal degradation lead to detrimental coke formation, which hinders hydrocracking activity. Reaction conditions and feed ratios of LDPE and EVOH are tuned to balance these competing effects. Reusability tests demonstrate that Pt/BEA maintains high activity (81% conversion in 2 h) and high selectivity towards naphtha (78%) over multiple reuse cycles. Furthermore, these findings position hydrocracking as a promising technology for the circularity of complex MF plastic waste.

36 MATERIALS SCIENCE↗