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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
NASA NTRS2017

Titan Atmospheric Entry Radiative Heating

Detailed spectrally and spatially resolved radiance has been measured in the Electric Arc Shock Tube for conditions relevant to Titan entry, varying atmospheric composition, free-stream density (equivalent to altitude) and shock velocity. Permutations in atmospheric composition include 1.1, 2, 5 and 8.6 CH4 by mole with a balance of N2 and 1.5 CH4 0.5 Ar 98 N2 by mole, which is consistent with the current understanding of Titan's atmosphere. The effect of gas impurities identified in previous shock tube studies were also examined by testing in pure N2 and deliberate addition of air to the CH4N2 mixtures. The test campaign measured radiation at velocities from 4.7 kms to 8 kms and free-stream pressures from 0.1 to 0.47 Torr. These conditions cover a range of potential trajectories for flight missions, including a direct ballistic trajectory, a fly by or an extremely high speed entry. Radiances measured in this work are substantially larger compared to that reported both in past EAST test campaigns and other shock tube facilities. Depending on the metric used for comparison, the discrepancy can be as high as an order of magnitude. Potential causes for the discrepancy, such as the effect of oxygen due to Air leakage, gas composition and purity are discussed. The present work provides a new benchmark set of data to replace those published in previous studies.

Earth↗
NASA NTRS2017

Titan Atmospheric Entry Radiative Heating

Detailed spectrally and spatially resolved radiance has been measured in the Electric Arc Shock Tube for conditions relevant to Titan entry, varying atmospheric composition, free-stream density (equivalent to altitude) and shock velocity. Permutations in atmospheric composition include 1.1, 2, 5 and 8.6 CH4 by mole with a balance of N2 and 1.5 CH4 0.5 Ar 98 N2 by mole, which is consistent with the current understanding of Titan's atmosphere. The effect of gas impurities identified in previous shock tube studies were also examined by testing in pure N2 and deliberate addition of air to the CH4N2 mixtures. The test campaign measured radiation at velocities from 4.7 kms to 8 kms and free-stream pressures from 0.1 to 0.47 Torr. These conditions cover a range of potential trajectories for flight missions, including a direct ballistic trajectory, a fly by or an extremely high speed entry. Radiances measured in this work are substantially larger compared to that reported both in past EAST test campaigns and other shock tube facilities. Depending on the metric used for comparison, the discrepancy can be as high as an order of magnitude. Potential causes for the discrepancy, such as the effect of oxygen due to Air leakage, gas composition and purity are discussed. The present work provides a new benchmark set of data to replace those published in previous studies.

Brandis, A. M↗
DOE OSTI2020

Waste Information Management System with 2019-20 Waste Streams - 20491

The Waste Information Management System (WIMS) 2019-20 was updated to support the Department of Energy (DOE) accelerated cleanup program. The schedule compression required close coordination and a comprehensive review and prioritization of the barriers that impeded treatment and disposition of the waste streams at each site. Many issues related to waste treatment and disposal were potential critical path issues under the accelerated schedule. In order to facilitate accelerated cleanup initiatives, waste managers at DOE field sites and at DOE Headquarters in Washington, D.C., needed timely waste forecast and transportation information regarding the volumes and types of radioactive waste that would be generated by DOE sites over the next 35 years. Each local DOE site historically collected, organized, and displayed waste forecast information in separate and unique systems. In order for interested parties to understand and view the complete DOE complex-wide picture, the radioactive waste and shipment information of each DOE site needed to be entered into a common application. The WIMS application was therefore created to serve as a common application to improve stakeholder comprehension and improve DOE radioactive waste treatment and disposal planning and scheduling. WIMS allows identification of total forecasted waste volumes, material classes, disposition sites, choke points, technological or regulatory barriers to treatment and disposal, along with forecasted waste transportation information by rail, truck and intermodal shipments. The Applied Research Center (ARC) at Florida International University (FIU) in Miami, Florida, developed and deployed the web-based forecast and transportation system and is responsible for updating the radioactive waste forecast and transportation data on a regular basis to ensure the long-term viability and value of this system. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2001

Passive Microwave Measurements of Salinity: The Gulf Stream Experiment

Passive microwave sensors at L-band (1.4 GHz) operating from aircraft have demonstrated that salinity can be measured with sufficient accuracy (I psu) to be scientifically meaningful in coastal waters. However, measuring salinity in the open ocean presents unresolved issues largely because of the much greater accuracy (approximately 0.2 psu) required of global maps to be scientifically viable. The development of a satellite microwave instrument to make global measurements of SSS (Sea Surface Salinity) is the focus of a joint JPL/GSFC/NASA ocean research program called Aquarius. In the summer of 1999 a series of measurements called, The Gulf Stream Experiment, were conducted as part of research at the Goddard Space Flight Center to test the potential for passive microwave remote sensing of salinity in the open ocean. The measurements consisted of airborne microwave instruments together with ships and drifters for surface truth. The study area was a 200 km by 100 km rectangle about 250 km east of Delaware Bay between the continental shelf waters and north wall of the Gulf Stream. The primary passive instruments were the ESTAR radiometer (L-band, H-pol) and the SLFMR radiometer (L-band, V-pol). In addition, the instruments on the aircraft included a C-band radiometer (ACMR), an ocean wave scatterometer (ROWS) and an infrared radiometer (for surface temperature). These instruments were mounted on the NASA P-3 Orion aircraft. Sea surface measurements consisted of thermosalinograph data provided by the R/V Cape Henlopen and the MN Oleander, and data from salinity and temperature sensors on three surface drifters deployed from the R/V Cape Henlopen. The primary experiment period was August 26-September 2, 1999. During this period the salinity field within the study area consisted of a gradient on the order of 2-3 psu in the vicinity of the shelf break and a warm core ring with a gradient of 1-2 psu. Detailed maps were made with the airborne sensors on August 28 and 29 and on September 2 flights were made over the surface drifters to look for effects due to a change in surface roughness resulting from the passage of Hurricane Dennis. Results show a good agreement between the microwave measurements and ship measurements of salinity. The features of the brightness temperature maps correspond well with the features of the salinity field measured by the ship and drifters and a preliminary retrieval of salinity compares well with the ship data.

LeVine, D. M.↗
NASA NTRS1993

Intelligent neuroprocessors for in-situ launch vehicle propulsion systems health management

Efficacy of existing on-board propulsion systems health management systems (HMS) are severely impacted by computational limitations (e.g., low sampling rates); paradigmatic limitations (e.g., low-fidelity logic/parameter redlining only, false alarms due to noisy/corrupted sensor signatures, preprogrammed diagnostics only); and telemetry bandwidth limitations on space/ground interactions. Ultra-compact/light, adaptive neural networks with massively parallel, asynchronous, fast reconfigurable and fault-tolerant information processing properties have already demonstrated significant potential for inflight diagnostic analyses and resource allocation with reduced ground dependence. In particular, they can automatically exploit correlation effects across multiple sensor streams (plume analyzer, flow meters, vibration detectors, etc.) so as to detect anomaly signatures that cannot be determined from the exploitation of single sensor. Furthermore, neural networks have already demonstrated the potential for impacting real-time fault recovery in vehicle subsystems by adaptively regulating combustion mixture/power subsystems and optimizing resource utilization under degraded conditions. A class of high-performance neuroprocessors, developed at JPL, that have demonstrated potential for next-generation HMS for a family of space transportation vehicles envisioned for the next few decades, including HLLV, NLS, and space shuttle is presented. Of fundamental interest are intelligent neuroprocessors for real-time plume analysis, optimizing combustion mixture-ratio, and feedback to hydraulic, pneumatic control systems. This class includes concurrently asynchronous reprogrammable, nonvolatile, analog neural processors with high speed, high bandwidth electronic/optical I/O interfaced, with special emphasis on NASA's unique requirements in terms of performance, reliability, ultra-high density ultra-compactness, ultra-light weight devices, radiation hardened devices, power stringency, and long life terms.

Gulati, S.↗
DOE OSTI2022

Cooperative Research and Development Agreement (CRADA) between National Energy Technology Laboratory and Susteon, Inc. (Final Report)

NETL developed a nanostructured Fe catalyst capable of converting syngas to olefins. Initial laboratory testing demonstrated this technology possessed high reactivity (~70% conversion), good olefin selectivity (~40 weight %), and a long-performance lifetime (greater than 500 h on stream with no degradation). Under CRADA Agreement 0988, NETL and Susteon collaborated to evaluate the commercial potential of this catalyst technology by scaling up the catalyst synthesis and collecting reactivity data to characterize the mass and energy balance associated with utilizing this catalyst in a Fischer Tropsch to Olefins (FTO) reactor. Research under CRADA Agreement 0988 illustrated there are technical barriers associated with synthesizing the catalyst that the team was not able to overcome. Reactivity testing with this material illustrated that the catalyst deactivated in less than 50 hours of time on stream. Due to this technical barrier, the team did not meet its Go/No-Go decision target of creating a FTO process that produces at least a 25% reduction in olefin production cost compared to the current state-of the-art technologies. As a result, the team has stopped all work on CRADA Agreement 0988.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Streaming Large-Scale Microscopy Data to a Supercomputing Facility

Data management is a critical component of modern experimental workflows. As data generation rates increase, transferring data from acquisition servers to processing servers via conventional file-based methods is becoming increasingly impractical. The 4D Camera at the National Center for Electron Microscopy generates data at a nominal rate of 480 Gbit s -1 (87,000 frames s -1 ⁠), producing a 700 GB dataset in 15 s. To address the challenges associated with storing and processing such quantities of data, we developed a streaming workflow that utilizes a high-speed network to connect the 4D Camera’s data acquisition system to supercomputing nodes at the National Energy Research Scientific Computing Center, bypassing intermediate file storage entirely. In this work, we demonstrate the effectiveness of our streaming pipeline in a production setting through an hour-long experiment that generated over 10 TB of raw data, yielding high-quality datasets suitable for advanced analyses. Additionally, we compare the efficacy of this streaming workflow against the conventional file-transfer workflow by conducting a postmortem analysis on historical data from experiments performed by real users. Our findings show that the streaming workflow significantly improves data turnaround time, enables real-time decision-making, and minimizes the potential for human error by eliminating manual user interactions.

4D-STEM↗
NASA NTRS2000

Salinity Measurements During the Gulf Stream Experiment

The salinity of the open ocean is important for understanding ocean circulation, for understanding energy exchange with the atmosphere and for improving models to predict weather and climate. Passive microwave sensors at L-band (1.4 GHz) operating from aircraft have demonstrated that salinity can be measured with sufficient accuracy (1 psu) to be scientifically meaningful in coastal waters. However, measuring salinity in the open ocean presents unresolved issues largely because of the much greater accuracy (approx. 0.1 psu) required to be scientifically viable. In the summer of 1999 a series of measurements called, The Gulf Stream Experiment, were conducted as part of research at the Goddard Space Flight Center to test the potential for passive microwave remote sensing of salinity in the open ocean. The measurements consisted of a compliment of airborne microwave instruments (radiometers and scatterometer) and ships and drifters for surface truth. The study area was a 200 km by 100 km rectangle about 250 km east of Delaware Bay between the continental shelf waters and north wall of the Gulf Stream. The primary passive instruments were the ESTAR radiometer (L-band, H-pol) and the SLFMR radiometer (L-band, V-pol). In addition, the compliment of instruments on the aircraft included a C-band radiometer (ACMR), an ocean wave scatterometer (ROWS) and an infrared radiometer. A GPS backscatter experiment was also part of the package. These instruments were mounted on the NASA P-3 Orion aircraft. Surface salinity measurements were provided by the RN Cape Henlopen and MN Oleander (thermosalinographs) plus salinity and temperature sensors on three surface drifters deployed from the RN Cape Henopen. The primary experiment period was August 26-September 2, 1999. During this period the salinity field within the study area consisted of a gradient on the order of 2-3 psu in the vicinity of the shelf break and a warm core ring with a gradient of 1-2 psu. Detailed maps were made with the airborne sensors on August 28 and 29 and on September 2 flights were made over the surface drifters to look for effects due to a change in surface roughness resulting from the passage of Hurricane Dennis. Preliminary results show a good agreement between the microwave measurements and ship measurements of salinity. The features of the brightness temperature maps correspond well with the features of the salinity field measured by the ship and drifters and a preliminary retrieval of salinity compares well with the ship data.

LeVine, D. M.↗
DOE OSTI2021

Raman Spectroscopy Based On-Line, Real-Time Monitoring to Reduce Composition Uncertainties: Enhanced sensitivity through optimization of Raman Parameters

Optical spectroscopy-based on-line monitoring of Hanford processing streams can enable real-time characterization of chemical composition of process streams and batches, ultimately enabling and enhancing process control. It can provide immediate feedback on process conditions and has the potential to reduce the needed number of grab sample collections, thereby reducing times and costs associated with laboratory processing. Here we discuss the utilization of Raman spectroscopy to quantify multiple target analytes that are common within Hanford tanks and waste processing streams. Analytes include: nitrate, nitrite, carbonate, chromate, sulfate, phosphate, hydroxide, oxalate, ammonia, and aluminate. Most notably in this work, Raman applications to low-concentration streams are explored and optimized. Raman instrument specifications are compared; specifically, the impact of utilizing three different Raman excitation wavelengths, 405, 532, and 671 nm, is discussed. Also, Raman data collection parameters such as collection time and spectral averaging are measured and discussed. Finally, optical libraries of chemical targets were collected using optimized collection parameters and chemometric models were built to automate quantification of chemical targets. These models were validated through application to simulants and real Hanford process samples. Chemometric models performed well on both training and validation sets, suggesting these approaches can be successfully applied to on-line and real-time monitoring of low concentration Hanford processing streams. The use of the combine Raman wave lengths with the enhanced chemometric models for the low concentration streams significantly improved the chemical detection levels and significantly reduced uncertainties of those measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1983

A simple Lagrangian forecast system with aviation forecast potential

A trajectory forecast procedure is developed which uses geopotential tendency fields obtained from a simple, multiple layer, potential vorticity conservative isentropic model. This model can objectively account for short-term advective changes in the mass field when combined with fine-scale initial analyses. This procedure for producing short-term, upper-tropospheric trajectory forecasts employs a combination of a detailed objective analysis technique, an efficient mass advection model, and a diagnostically proven trajectory algorithm, none of which require extensive computer resources. Results of initial tests are presented, which indicate an exceptionally good agreement for trajectory paths entering the jet stream and passing through an intensifying trough. It is concluded that this technique not only has potential for aiding in route determination, fuel use estimation, and clear air turbulence detection, but also provides an example of the types of short range forecasting procedures which can be applied at local forecast centers using simple algorithms and a minimum of computer resources.

Petersen, R. A.↗
DOE OSTI2022

Variation in natural attenuation rates of polychlorinated biphenyls (PCBs) in fish from streams and reservoirs in East Tennessee observed over a 35-year period

Environmental contamination due to human activities is a major concern, particularly for persistent chemicals. Within catchments, persistent chemicals linked to negative health outcomes such as polychlorinated biphenyls (PCBs) have great potential to be transported, through adsorption or biological uptake, with downstream locations acting as sinks for accumulation. Here we present long-term trends in PCB bioaccumulation in fish found in lower-order tributaries on the Oak Ridge Reservation, an impacted US Department of Energy property in East Tennessee, USA, and a large reservoir system adjacent to it composed of parts of the Clinch and Tennessee Rivers. Given that the reservoir system has experienced no direct PCB mitigation activities, this record offers an opportunity to explore potential natural attenuation of PCBs within a large lotic ecosystem. Additionally, attenuation rates ranged from 0% to 8% yr -1 in minnows and sunfish at stream sites and 5.4–11.3% yr -1 in catfish at reservoir sites. These rates are comparable to findings from similar studies in other regions, suggesting a consistency in responses since the banning of PCB production in 1979. Further, results suggest that PCB sources from discharge outfalls are important locally but are not primarily responsible for sustaining PCB contamination in downstream reservoirs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Suppressed Cosmic-Ray Energy Densities in Molecular Clouds from Streaming Instability-regulated Transport

Abstract Cosmic rays (CRs) are the primary driver of ionization in star-forming molecular clouds (MCs). Despite their potential impacts on gas dynamics and chemistry, no simulations of star cluster formation following the creation of individual stars have included explicit cosmic-ray transport (CRT) to date. We conduct the first numerical simulations following the collapse of a 2000 M ⊙ MC and the subsequent star formation including CRT using the STAR FORmation in Gaseous Environments framework implemented in the GIZMO code. We show that when CRT is streaming-dominated, the CR energy in the cloud is strongly attenuated due to energy losses from the streaming instability. Consequently, in a Milky Way–like environment the median CR ionization rate in the cloud is low ( ζ ≲ 2 × 10 −19 s −1 ) during the main star-forming epoch of the calculation and the impact of CRs on the star formation in the cloud is limited. However, in high-CR environments, the CR distribution in the cloud is elevated ( ζ ≲ 6 × 10 −18 ), and the relatively higher CR pressure outside the cloud causes slightly earlier cloud collapse and increases the star formation efficiency by 50% to ∼13%. The initial mass function is similar in all cases except with possible variations in a high-CR environment. Further studies are needed to explain the range of ionization rates observed in MCs and explore star formation in extreme CR environments.

Astronomy & Astrophysics↗
DOE OSTI2025

Auriga Streams – I: disrupting satellites surrounding Milky Way-mass haloes at multiple resolutions

In a hierarchically formed Universe, galaxies accrete smaller systems that tidally disrupt as they evolve in the host’s potential. We present a complete catalogue of disrupting galaxies accreted onto Milky Way-mass haloes from the Auriga suite of cosmological magnetohydrodynamic zoom-in simulations. We classify accretion events as intact satellites, stellar streams, or phase-mixed systems based on automated criteria calibrated to a visually classified sample, and match accretions to their counterparts in haloes re-simulated at higher resolution. Most satellites at the present day have lost substantial amounts of stellar mass – 67 per cent have $f_\text{bound} < 0.97$ (our threshold of lost stellar mass to no longer be considered intact), while 53 per cent satisfy a more stringent $f_\text{bound} < 0.8$. Streams typically outnumber intact systems, contribute a smaller fraction of overall accreted stars, and are substantial contributors at intermediate distances from the host centre ($\sim$0.1 to $\sim 0.7R_\text{200m}$, or $\sim$35 to $\sim$250 kpc for the Milky Way). We also identify accretion events that disrupt to form streams around massive intact satellites instead of the main host. Streams are more likely than intact or phase-mixed systems to have experienced pre-processing, suggesting this mechanism is important for setting disruption rates around Milky Way-mass haloes. All of these results are preserved across different simulation resolutions, though we do find some hints that satellites disrupt more readily at lower resolution. The Auriga haloes suggest that disrupting satellites surrounding Milky Way-mass galaxies are the norm and that a wealth of tidal features waits to be uncovered in upcoming surveys.

galaxies: haloes↗
DOE OSTI2021

The Value of Distributed Wind: A Valuation Framework

While there has been an increase in distributed energy resource (DER) adoption, particularly for solar photovoltaic (PV) DERs, distributed wind deployment is still relatively low. However, distributed wind has significant growth potential for behind-the-meter applications and can provide improved resource diversity and resilience in high-DER grid systems. In order to make optimized decisions about distributed wind deployment, it is important to identify and characterize the value streams of distributed wind in a way that will help policy makers, microgrid developers, utilities, project developers, and others understand the potential value of distributed wind. In our paper, we develop a framework to provide a consistent and comprehensive approach to finding the net benefits of distributed wind to various stakeholders in different scenarios. We do this by considering the main use cases for distributed wind, and then developing a framework which is flexible for these various use cases and the relevant stakeholders while maintaining the same overall structure for analysis. Ongoing work includes applying this framework to valuing two distributed wind power systems, one in a remote village in Alaska and one in a front-of-the-meter deployment in Iowa. Our analysis aims to understand the full value that distributed wind is providing in these systems, including the resilience benefits it is contributing. As a better understanding of distributed wind valuation is gained, it will be easier for stakeholders to make informed decisions in order to have resilient renewable energy systems.

17 WIND ENERGY↗
DOE OSTI2021

Soil and Water Chemistry and Trace Metal Extractability and Speciation in Wetland Soils from Illinois and South Carolina and Stream Sediments from Tennessee

Dataset revised on October 15, 2021. This revision adds sulfur and iron X-ray absorption near-edge structure spectra for the wetland soils and stream sediments from the field areas. It also renames the sample locations in a way that is more intuitive to readers of the companion paper that is under review. Finally, the data filenames and organization have been updated in their labeling to parallel the data sources in the associated paper. The abstract text and methods were also revised to reflect the data that was added to the dataset.Trace metals are essential for microbially-mediated biogeochemical processes occurring in anoxic wetland soils and stream bed sediments, such as denitrification, methanogenesis, and mercury methylation. Low availability of these elements may potentially inhibit key components of anaerobic carbon and nitrogen cycling and contaminant transformation. The solid-phase speciation of trace metals likely plays an important role in controlling their bioavailability. Metal speciation is well studied in contaminated soils and sediments as well as those naturally elevated in trace metals. However, less is known regarding the chemical forms of trace metals in systems having concentrations similar to geological background levels, the very settings where metal limitations may be most prevalent. We have investigated trace metal concentrations, extractability, and solid-phase speciation in three freshwater subsurface aquatic systems: marsh wetland soils, riparian wetland soils, and the sediments of a streambed.Data are provided for marsh wetland soils at Argonne National Laboratory, riparian wetland soils in the Tims Branch watershed at Savannah River National Laboratory, and stream bed sediments from East Fork Poplar Creek near Oak Ridge National Laboratory. Soil and sediment elemental abundances, mineralogy, and extractable nutrients as well as dissolved major elements, anions, trace metals, and nutrients in the overlying surface waters are provided. In addition, the results of sequential chemical extraction for the trace metals cobalt, nickel, copper, and zinc from the soils and sediment are reported as well as X-ray absorption near-edge structure (XANES) spectra in these materials are reported. To aid interpretation of these data, XANES spectra of sulfur in the soils and sediments as well as both XANES and extended X-ray absorption fine structure (EXAFS) spectra of iron in these materials are reported. The data package also includes the XANES spectra of reference standards and a potential interferent in the measurements. All data are provided in text-based CSV format with header sections indicating the data contained in each file and the corresponding units. Note that "u" is used in place of Greek lower case mu to indicate the micro prefix on units.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2001

Measurements and Predictions for a Distributed Exhaust Nozzle

The acoustic and aerodynamic performance characteristics of a distributed exhaust nozzle (DEN) design concept were evaluated experimentally and analytically with the purpose of developing a design methodology for developing future DEN technology. Aerodynamic and acoustic measurements were made to evaluate the DEN performance and the CFD design tool. While the CFD approach did provide an excellent prediction of the flowfield and aerodynamic performance characteristics of the DEN and 2D reference nozzle, the measured acoustic suppression potential of this particular DEN was low. The measurements and predictions indicated that the mini-exhaust jets comprising the distributed exhaust coalesced back into a single stream jet very shortly after leaving the nozzles. Even so, the database provided here will be useful for future distributed exhaust designs with greater noise reduction and aerodynamic performance potential.

Kinzie, Kevin W.↗
DOE OSTI2022

CO 2 utilization potential of a novel calcium ferrite based looping process fueled with coal: Experimental evaluation of various coal feedstocks and thermodynamic integrated process analysis

Here, conversion of CO 2 to CO was performed at 800-850C via reduction of calcium ferrite (CaFe 2 O 4 ) with coal followed by oxidation of reduced CaFe 2 O 4 with CO 2 to produce CO and partially oxidized Ca ferrite. The process was evaluated with several types of coals which included lignite, sub-bituminous, bituminous, anthracite and pet-coke. Reduction of CaFe 2 O 4 with sub-bituminous coal and lignite coal was more favorable than that with higher rank coals. Stable reactivity performance was demonstrated for 35-cycle test conducted with lignite coal/CaFe 2 O 4 at 800°C and with high conversion of CO 2 to CO. The rate of conversion of CO 2 to CO with reduced CaFe 2 O 4 was found to be 1st order with respect to CO 2 and had a low activation energy of 7.4 kJ/mol. Thermodynamic integrated process assessments suggest that two and three reactor process concepts can be realized and net CO 2 utilization achievable. The two reactor configuration shows the highest potential for CO 2 utilization while generating a value-added CO rich syngas stream.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Stable single-site organonickel catalyst preferentially hydrogenolyses branched polyolefin C–C bonds

Current methods of processing accumulated polyolefin waste typically require harsh conditions, precious metals or high metal loadings to achieve appreciable activities. Here, in this work, we examined supported, single-site organonickel catalysts for polyolefin upcycling. Chemisorption of Ni(COD) 2 (COD, 1,5-cyclooctadiene) onto Brønsted acidic sulfated alumina (AlS) yields a highly electrophilic Ni(I) precatalyst, AlS/Ni(COD) 2 , which is converted under H 2 to the active AlS/Ni II H catalyst. This single-site system exhibits unique hydrogenolysis selectivity that favours cleaving branched polyolefin C–C linkages, enabling the hydrogenolytic separation of polyethylene and isotactic polypropylene (iPP) mixtures. Moreover, AlS/Ni II H remains highly selective and active for hydrogenolysis of iPP admixed with polyvinyl chloride, and the spent catalyst can be repeatedly regenerated by AlEt3 treatment. Experimental mechanistic analysis and density functional theory modelling reveal a turnover-limiting C–C scission pathway featuring β-alkyl transfer and strong olefin binding. These results highlight the potential of nickel-based systems for the selective upcycling of complex plastic waste streams.

green chemistry↗