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Promoting Diels-Alder reactions to produce bio-BTX: Co-aromatization of textile waste and plastic waste over USY zeolite

Producing commodity aromatic hydrocarbons from textile waste is a promising approach to promote carbon neutrality and circular economy. Catalytic degradation of flax waste (FW) to generate furans and its subsequent Diels-Alder transformation to monocyclic aromatic hydrocarbons over USY zeolite were conducted. Experimental results indicated that USY catalyzed FW resulted in a 5.5-fold increase in furans production compared with the non-catalytic trial. The Si/Al molar ratio in USY played a determining role in furans formation, and a 5-fold increase was observed over USY with a Si/Al ratio of 5.3 as opposed to that with a Si/Al ratio of 11. Plastic waste, polyethylene (PE), co-fed with FW yielded 1.6 times higher aromatic hydrocarbons than polypropylene (PP). The selectivity to aromatic hydrocarbons reached 81.6% under 20% PE co-fed with 80% FW, in which benzene, toluene, and xylenes (BTX) were predominant products with the maximum selectivity of 68%. Furthermore, this study presents a cleaner approach for value-added resource recovery and sustainable management of textile and plastic waste.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Materials Data on USi by Materials Project

USi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are a spread of U–Si bond distances ranging from 2.90–3.11 Å. Si4- is bonded in a 9-coordinate geometry to seven equivalent U4+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.43 Å.

36 MATERIALS SCIENCE↗

Materials Data on USiS by Materials Project

USiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U6+ is bonded in a 5-coordinate geometry to four equivalent Si4- and five equivalent S2- atoms. All U–Si bond lengths are 3.02 Å. There are four shorter (2.70 Å) and one longer (2.81 Å) U–S bond lengths. Si4- is bonded to four equivalent U6+ and four equivalent Si4- atoms to form distorted SiU4Si4 hexagonal bipyramids that share corners with four equivalent SiU4Si4 hexagonal bipyramids, corners with twelve equivalent SU5 square pyramids, edges with four equivalent SiU4Si4 hexagonal bipyramids, edges with four equivalent SU5 square pyramids, and faces with four equivalent SiU4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.66 Å. S2- is bonded to five equivalent U6+ atoms to form distorted SU5 square pyramids that share corners with twelve equivalent SiU4Si4 hexagonal bipyramids, corners with four equivalent SU5 square pyramids, edges with four equivalent SiU4Si4 hexagonal bipyramids, and edges with eight equivalent SU5 square pyramids.

36 MATERIALS SCIENCE↗

Materials Data on USiS by Materials Project

USiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U6+ is bonded in a 9-coordinate geometry to five equivalent Si4- and four equivalent S2- atoms. There are one shorter (2.77 Å) and four longer (2.99 Å) U–Si bond lengths. All U–S bond lengths are 2.70 Å. Si4- is bonded to five equivalent U6+ atoms to form distorted SiU5 trigonal bipyramids that share corners with twelve equivalent SU4 tetrahedra, corners with four equivalent SiU5 trigonal bipyramids, edges with four equivalent SU4 tetrahedra, and edges with eight equivalent SiU5 trigonal bipyramids. S2- is bonded to four equivalent U6+ atoms to form distorted SU4 tetrahedra that share corners with four equivalent SU4 tetrahedra, corners with twelve equivalent SiU5 trigonal bipyramids, edges with four equivalent SU4 tetrahedra, and edges with four equivalent SiU5 trigonal bipyramids.

36 MATERIALS SCIENCE↗

New Human-Computer Interface Concepts for Mission Operations

The current climate of budget cuts has forced the space mission operations community to reconsider how it does business. Gone are the days of building one-of-kind control centers with teams of controllers working in shifts 24 hours per day, 7 days per week. Increasingly, automation is used to significantly reduce staffing needs. In some cases, missions are moving towards lights-out operations where the ground system is run semi-autonomously. On-call operators are brought in only to resolve anomalies. Some operations concepts also call for smaller operations teams to manage an entire family of spacecraft. In the not too distant future, a skeleton crew of full-time general knowledge operators will oversee the operations of large constellations of small spacecraft, while geographically distributed specialists will be assigned to emergency response teams based on their expertise. As the operations paradigms change, so too must the tools to support the mission operations team's tasks. Tools need to be built not only to automate routine tasks, but also to communicate varying types of information to the part-time, generalist, or on-call operators and specialists more effectively. Thus, the proper design of a system's user-system interface (USI) becomes even more importance than before. Also, because the users will be accessing these systems from various locations (e.g., control center, home, on the road) via different devices with varying display capabilities (e.g., workstations, home PCs, PDAS, pagers) over connections with various bandwidths (e.g., dial-up 56k, wireless 9.6k), the same software must have different USIs to support the different types of users, their equipment, and their environments. In other words, the software must now adapt to the needs of the users! This paper will focus on the needs and the challenges of designing USIs for mission operations. After providing a general discussion of these challenges, the paper will focus on the current efforts of creatin(y an effective USI for one specific suite of tools, SERS (The Spacecraft Emergency Response System), which has been built to enable lights-out operations. SERS is a Web-based collaborative environment that enables secure distributed fault management.

Fox, Jeffrey A.↗

Phase equilibria of advanced technology uranium silicide-based nuclear fuel

The phases in uranium-silicide binary system were evaluated in regards to their stabilities, phase boundaries, crystal structures, and phase transitions. The results from this study were used in combination with a well assessed literature to optimize the U-Si phase diagram using the CALPHAD method. A thermodynamic database was developed, which could be used to guide nuclear fuel fabrication, could be incorporated into other nuclear fuel thermodynamic databases, or could be used to generate data required by fuel performance codes to model fuel behavior in normal or off-normal reactor operations. The U 3 Si 2 and U 3 Si 5 phases were modeled using the Compound Energy Formalism model with 3 sublattices to account for the variation in composition. The crystal structure used for the USi phase was the tetragonal with an I4/mmm space. Above 450°C, the U 3 Si 5 phase was modeled. The composition of the USi 2 phase was adjusted to USi 1.84 . The calculated invariant reactions and the enthalpy of formation for the stoichiometric phases were in agreement with experimental data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The u 3 si 2 -H system

U 3 Si 2 is of interest to the nuclear industry as a candidate fuel material due to its high uranium density and high thermal conductivity. However, it has been observed to react with hydrogen, resulting in material decrepitation. As a result, it is important to understand the thermodynamics of the U 3 Si 2 -H system. In this study, the thermodynamics of the hydrogen absorption reaction of USi were determined experimentally using Sievert’s gas absorption and related to crystallographic evolution with hydrogen content using X-ray diffraction. Experimentally-determined thermodynamic parameters were compared with results from density functional theory modeling. Results from this study were also compared with those determined in previous work. Sievert’s gas absorption results were used to develop the pressure-composition-temperature (PCT) curves of the U 3 Si 2 -H system. It was found that the hydride phase exhibited a maximum stoichiometry between U 3 Si 2 H 1.8 and U 3 Si 2 H 2 . The two-phase region for hydride formation from U 3 Si 2 exhibited a miscibility gap with a critical temperature between 623 and 673 K, as calculated from the PCT curves. Analysis of the PCT curves also showed that both the enthalpy and entropy of the hydrogen absorption reaction increased with hydrogen content but were lower than the values for uranium trihydride formation from uranium metal. The enthalpy of reaction for hydrogen absorption was calculated to range between -86.9 and -94.8 kJ mol -1 , while the entropy of reaction was calculated to range between 101.9 and 138.8 J mol -1 K -1 . Furthermore, DFT modeling of the thermoydnamic stability of the USi hydride phases yielded a decomposition temperature of U 3 Si 2 H 2 of approximately 600 K, which was consistent with the experimental results. Similarly, the DFT-calculated enthalpy and entropy of reaction to form USiH were determined to be -106.5kJ mol and 121.8J mol -1 K -1 , respectively, which were both in close agreement with the experimentally-determined values.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Heterogeneous Diels–Alder tandem catalysis for converting cellulose and polyethylene into BTX

Producing biomass-derived aromatic hydrocarbons via controllable Diels–Alder reactions is a promising approach to recover energy and chemicals from waste streams. A tandem Diels–Alder catalysis consisting of SAPO-34 and Fe/HZSM-5 (stacked catalysis or mixed catalysis) was evaluated for thermochemical conversion of cellulose and polyethylene blends into benzene, toluene, and xylenes (BTX). Aromatization catalyst type significantly affected the activity of tandem catalysis, and the BTX obtained from the HZSM-5 stacked catalysis was ~2.3 times higher than that of the USY stacked one. An introduction of Fe active promoters into HZSM-5 increased the Lewis to Brønsted acid sites molar ratio (L/B) from 0.4 to 4.1. The comparison between Fe/HZSM-5 stacked catalysis and parent HZSM-5 single catalysis indicated that the former was more effective for BTX production, obtaining a nearly two-fold increase in yield with a high selectivity of 82.8%. A close proximity between Fe/HZSM-5 and SAPO-34 in the mixed catalysis increased the BTX enhancement to 1.8. A synergistic effect was provided by the coordination of Lewis and Brønsted acid sites in the Fe/HZSM-5 mixed catalysts for facilitating BTX generation, achieving a maximum of 25.9% at a Fe/HZSM-5 to SAPO-34 mass ratio of 1:1 with a theoretical L/B of 7.2. Finally, this work provides a sustainable strategy to produce biomass-derived aromatic hydrocarbons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding the interface interaction between U3Si2 fuel and SiC cladding

Abstract Triuranium disilicide (U 3 Si 2 ) fuel with silicon carbide (SiC) composite cladding is being considered as an advanced concept/accident tolerant fuel for light water reactors thus, understanding their chemical compatibility under operational and accident conditions is paramount. Here we provide a comprehensive view of the interaction between U 3 Si 2 and SiC by utilizing density functional theory calculations supported by diffusion couple experiments. From the calculated reaction energies, we demonstrate that triuranium pentasilicide (U 3 Si 5 ), uranium carbide (UC), U 20 Si 16 C 3 , and uranium silicide (USi) phases can form at the interface. A detailed study of U 3 Si 2 and SiC defect formation energies of the equilibrated materials yielding the interfacial phases U 20 Si 16 C 3 , U 3 Si 5 and UC reveal a thermodynamic driving force for generating defects in both fuel and cladding. The absence of either the U 3 Si 2 or SiC phase, however, causes the defect formation energies in the other phase to be positive, removing the driving force for additional interfacial reactions. The diffusion couple experiments confirm the conclusion with demonstrated restricted formation of U 3 Si 5 , UC, and U 20 Si 16 C 3 /USi phases at the interface. The resulting lack of continuous interaction between the U 3 Si 2 and SiC, reflects the diminishing driving force for defect formation, demonstrating the substantial stability of this fuel-cladding system.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Numerical investigation of the effect of ultrasound on paper drying

The paper drying process is very energy inefficient. More than two-thirds of the total energy used in a paper machine is for drying paper. Novel drying technologies, such as ultrasound (US) drying, can be assessed numerically for developing next-generation drying technologies for the paper industry.This work numerically illustrates the impact on drying process energy efficiency of US transducers installed on a two-tiered dryer section of a paper machine. Piezoelectric transducers generate ultrasound waves, and liquid water mist can be ejected from the porous media. The drying rate of handsheet paper in the presence of direct-contact USis measured experimentally, and the resultant correlation is included in the theoretical model.The drying section of a paper machine is simulated by a theoretical drying model. In the model, three scenarios are considered. In the first scenario, the US modules are positioned in the dryer pockets, while in the second scenario, they are placed upstream of the drying section right after the press section. The third case is the combination ofthe first and second scenarios. The average moisture content and temperature during drying, enhancement of total mass flux leaving the paper by the US mechanism, total energy consumption, and thermal effect of heated US transducers are analyzed for all cases. Results show that the application of the US can decrease the total number of dryer drums for drying paper. This numerical study is based on the US correlation obtained with the US transducer in direct contact with the paper sample. Thus, future work should include US correlation based on a non-contact US transducer.

Materials Science↗

A Study of Business Incubators: Models, Best Practices, and Recommendations for NASA and Florida

This study was conducted to provide NASA-Kennedy Space Center with information and recommendations to support establishing one or more technology-based business incubators In Florida. The study involved assembling information about incubators: why they succeed, why they fail, how they are organized, and what services they provide. Consequently, this study focuses on widely-recognized "best practices," needed to establish successful technology- based business incubators. The findings are used to optimize the design and implementation of one or more technology-based business incubators to be established in Florida. Recommendations reflect both the essential characteristics of successful incubators and the optimal business demographics in Florida. Appendix A provides a fuller description of the objectives of the study. Technology-based business incubators are an increasing catalyst of new business development across the USi Incubators focus on providing entrepreneurs and small start-up firms with a wide array of support services necessary to bring forth new products and processes based on technologies developed in the nation's federal and private laboratories and universities. Appendix B provides extensive discussion of findings relative to technology- based business incubators.

Source record↗

The Effect of UV and Solar Wind Exposure on the Reflectance of Two Black Diffuse Materials

The Bidirectional Reflectance Distribution Function (BRDF) and Total Hemispherical Reflectance (THR) of two candidate black diffuse materials for the dim calibration targets of the NASA GSFC PACE Ocean Color Instrument (OCI)were reported in the SPIE conference last year. In this paper, we present new BRDF and THR results of the two black diffuse materials following additional UV exposure and solar wind tests. The BRDF measurements for five samples of each two black diffuse material were made at incident angles of 0° and 45° and at the wavelengths of 360 nm, 600 nm, and 1600 usi ng the Table-top Goniometer (TTG) located in the Diffuser Calibration Laboratory (DCL) at NASA GSFC. The THR of the samples, 15 mm in diameter, was measured using a commercial UV-VIS-NIR spectrophotometer from 200 nm to 2500 nm. The spectral THR results of the two black diffuse materials exposed to UV and solar wind show an approximate 10 % higher reflectivity than the unexposed samples. The spectral profiles of the THR of the exposed and unexposed samples are relatively similar. The BRDF results at the incident angle of 45° show different trends in the forward and backward scattering regions, while those at normal incident angle are consistent with the THR results. We will also present the details of the samples’ surface features and the comparison of the 0°/45° BRDF and THR results, demonstrate the significance of background subtraction in the THR measurements for small, low reflectance samples, and discuss validation of BRDF scale, measurement repeatability, and major contributions of uncertainty.

Jinan Zeng↗

Hydropower and environmental flow management: System-level trade-offs at Glen Canyon Dam

The research focuses on the Colorado River Basin, specifically examining the Glen Canyon Dam (GCD) and its influence on surrounding aquatic ecosystems. This area is crucial due to its role in hydropower production and its impact on downstream environments, including the Grand Canyon National Park. This study explores the integration of environmental factors into hydro dispatch modeling at GCD to tackle ecological challenges posed by the invasive smallmouth bass (SMB). Utilizing the GTMax SL and SERM models, the research assesses the effects of SMB control experiments on hydropower generation, economic value, and grid stability. The study examines the financial and economic impacts of bypass flows designed to release colder water to prevent SMB spawning, which can significantly reduce hydropower output and increase costs. The research identifies that declining reservoir levels and rising water temperatures in Lake Powell have facilitated SMB spawning, posing a threat to native fish populations like the endangered humpback chub. The findings highlight the importance of adaptive management strategies to balance ecological preservation with hydropower generation amid long-term weather-related challenges. The study underscores the need for comprehensive assessments of flow options to prevent SMB establishment below GCD, considering the broader implications for sediment dynamics and ecological interactions.

Ecological impact assessment↗

Fabricating Solid-State Batteries for Electric Aviation

All-solid-state lithium batteries are widely reputed as the next major step in energy storage technology on account their drastically improved safety over wet cells, as solid electrolytes lack the volatile compounds in wet electrolytes that make them combustible. This enhanced safety enables a far wider range of products and vehicles to go fully electric and aligns with future NASA missions that require high performing, reliable, and safe batteries. However, they currently face issues with implementation in consumer products due to the often-poor mechanical properties of the solid electrolyte and relative difficulty to manufacture. Typical solid-state electrolyte challenges were bypassed by incorporating a range of polymeric binders into a solid electrolyte suspension and cast onto a composite carbon-sulfide cathode to create a single bilayer film. The resulting films display superior flexibility and durability compared to solid-electrolyte films typically discussed in literature without compromising the thinness of the films. The bilayer film was then punched into 12.7 cm diameter discs and 4 cm by 5 cm sheets, pressed, and assembled into coin cells and pouch cells respectively.

Batteries↗