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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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Multi-Fidelity Gaussian Process for Distribution System Voltage Probabilistic Estimation with PVs

The increasing penetration of behind-the-meter PVs causes challenges to maintain voltage security due to the lack of distribution system visibility. This paper proposes a nonlinear autoregressive Gaussian process (NARGP) approach to fuse limited number of SCADA/AMI data together with historical pseudo measurements for distribution node voltage probabilistic estimation. The high-fidelity SCADA data are fused with the low-fidelity AMI and pseudo measurements by the autoregressive algorithm embedded in the Gaussian process. This allows us to use multi-fidelity data to achieve entire distribution system voltage visibility. Numerical results carried out on the IEEE 123node system demonstrate that the NARGP method is able to obtain high accuracy in estimating bus voltage and quantifying estimation uncertainties as compared to other approaches.

distribution system estimation↗
DOE OSTI2019

Radionuclide Inventory Calculations for the Calcined Solid Storage Facility Performance Assessment - 19292

Originally named the Idaho Chemical Processing Plant when it was constructed in the early 1950's, the Idaho Nuclear Technology and Engineering Center reprocessed SNF to recover highly enriched uranium and other nuclear-related products for the U.S. DOE. Reprocessing SNF generated millions of gallons of aqueous radioactive waste. Calcination was a process developed at the INL Site to convert liquid waste into a solid, granular form from 1963 to 2000. The calcination process produced a safer product for storage while reducing the volume of stored liquid waste by an average factor of seven. Calcine is currently stored in the Calcined Solids Storage Facility (CSSF). The CSSFs are often called 'bin sets' because each CSSF (CSSFs 1 through 6) contains several stainless-steel storage bins housed in a concrete vault. The CSSF is an interim waste storage facility. In the future, calcine will be retrieved, treated (if necessary), and sent to an off-Site facility for storage or disposal. To close the CSSF, the bulk of the calcine will be removed and stored or disposed of elsewhere. The bins and vaults will then be placed in a configuration that is protective of human health and the environment. For purposes of the performance assessment, the depth of the residual calcine at closure was assumed to be 5-cm in each bin. The 5-cm of residual calcine in each bin is assumed to be mixed in grout during closure. The activities of the residual radionuclides are the inventory used for the dose assessment calculations for the CSSF performance assessment. The objective of this analysis was to calculate the radionuclide activity in the residual calcine remaining in the CSSF after closure. The purpose of this paper is to present the approach used to calculate the radionuclide inventory of the calcine currently stored in CSSF and the residual calcine in the CSSF after closure using data from the calcined waste Historical Processing Model (HPM). Limited sampling and analysis of the calcine in the CSSF bins was conducted in the past. Future similar calcine sampling and analysis efforts would be costly, generate additional mixed waste, and may not provide the desired detailed calcine composition data. However, during the later years of calcining, an alternative to calcine sampling and analysis was developed and the information was captured in the HPM. The HPM uses multiple sources to provide definitive calcine volume, mass, and composition, including: compositions and volumes of the liquid wastes that were calcined, ORIGEN2 - and ORIGEN-ARP-based radioactivity calculations, calciner and CSSF operating data, and process knowledge of INTEC fuel and waste-processing systems. HPM calcine composition was used to develop an inventory of radionuclides for use in the performance assessment evaluation for closure of CSSF. There are 43 bins that contain calcine, with six to twelve segments in each bin for a total of 337 bin segments for which the HPM calculates the average calcine composition. The HPM calculates the composition of each of the nearly 7,000 batches of material (startup bed, nonradioactive material, and radioactive waste) charged to the calciners. The calculations use the CSSF dimensions, including the CSSF number of bins, heights, outside diameters, annular air space diameter (if necessary), and volume of calcine currently in the bins. For each of the CSSFs, for a 5-cm residual, the percent of total calcine was calculated along with the residual activity for the radionuclides. Residual activity was estimated for 148 different radionuclides. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Validation of a DIXON-based fat quantification technique for the measurement of visceral fat using a CT-based reference standard

Purpose: The purpose of the study is to determine whether a novel semi-automated DIXON-based fat quantification algorithm can reliably quantify visceral fat using a CT-based reference standard. Methods: This was an IRB-approved retrospective cohort study of 27 subjects who underwent abdominopelvic CT within 7 days of proton density fat fraction (PDFF) mapping on a 1.5T MRI. Cross-sectional visceral fat area per slice (cm{sup 2}) was measured in blinded fashion in each modality at intervertebral disc levels from T12 to L4. CT estimates were obtained using a previously published semi-automated computational image processing system that sums pixels with attenuation − 205 to − 51 HU. MR estimates were obtained using two novel semi-automated DIXON-based fat quantification algorithms that measure visceral fat area by spatially regularizing non-uniform fat-only signal intensity or de-speckling PDFF 2D images and summing pixels with PDFF ≥ 50%. Pearson’s correlations and Bland–Altman analyses were performed. Results: Visceral fat area per slice ranged from 9.2 to 429.8 cm{sup 2} for MR and from 1.6 to 405.5 cm{sup 2} for CT. There was a strong correlation between CT and MR methods in measured visceral fat area across all studied vertebral body levels (r = 0.97; n = 101 observations); the least (r = 0.93) correlation was at T12. Bland–Altman analysis revealed a bias of 31.7 cm{sup 2} (95% CI [− 27.1]–90.4 cm{sup 2}), indicating modestly higher visceral fat assessed by MR. Conclusion: MR- and CT-based visceral fat quantification are highly correlated and have good cross-modality reliability, indicating that visceral fat quantification by either method can yield a stable and reliable biomarker.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS2015

Real-Time Kennedy Space Center and Cape Canaveral Air Force Station High-Resolution Model Implementation and Verification

Customer: NASA's Launch Services Program (LSP), Ground Systems Development and Operations (GSDO), and Space Launch System (SLS) programs. NASA's LSP, GSDO, SLS and other programs at Kennedy Space Center (KSC) and Cape Canaveral Air Force Station (CCAFS) use the daily and weekly weather forecasts issued by the 45th Weather Squadron (45 WS) as decision tools for their day-to-day and launch operations on the Eastern Range (ER). For example, to determine if they need to limit activities such as vehicle transport to the launch pad, protect people, structures or exposed launch vehicles given a threat of severe weather, or reschedule other critical operations. The 45 WS uses numerical weather prediction models as a guide for these weather forecasts, particularly the Air Force Weather Agency (AFWA) 1.67 kilometer Weather Research and Forecasting (WRF) model. Considering the 45 WS forecasters' and Launch Weather Officers' (LWO) extensive use of the AFWA model, the 45 WS proposed a task at the September 2013 Applied Meteorology Unit (AMU) Tasking Meeting requesting the AMU verify this model. Due to the lack of archived model data available from AFWA, verification is not yet possible. Instead, the AMU proposed to implement and verify the performance of an ER version of the AMU high-resolution WRF Environmental Modeling System (EMS) model (Watson 2013) in real-time. The tasking group agreed to this proposal; therefore the AMU implemented the WRF-EMS model on the second of two NASA AMU modeling clusters. The model was set up with a triple-nested grid configuration over KSC/CCAFS based on previous AMU work (Watson 2013). The outer domain (D01) has 12-kilometer grid spacing, the middle domain (D02) has 4-kilometer grid spacing, and the inner domain (D03) has 1.33-kilometer grid spacing. The model runs a 12-hour forecast every hour, D01 and D02 domain outputs are available once an hour and D03 is every 15 minutes during the forecast period. The AMU assessed the WRF-EMS 1.33-kilometer domain model performance for the 2014 warm season (May-September). Verification statistics were computed using the Model Evaluation Tools, which compared the model forecasts to observations. The mean error values were close to 0 and the root mean square error values were less than 1.8 for mean sea-level pressure (millibars), temperature (degrees Kelvin), dewpoint temperature (degrees Kelvin), and wind speed (per millisecond), all very small differences between the forecast and observations considering the normal magnitudes of the parameters. The precipitation forecast verification results showed consistent under-forecasting of the precipitation object size. This could be an artifact of calculating the statistics for each hour rather than for the entire 12-hour period. The AMU will continue to generate verification statistics for the 1.33-kilometer WRF-EMS domain as data become available in future cool and warm seasons. More data will produce more robust statistics and reveal a more accurate assessment of model performance. Once the formal task was complete, the AMU conducted additional work to better understand the wind direction results. The results were stratified diurnally and by wind speed to determine what effects the stratifications would have on the model wind direction verification statistics. The results are summarized in the addendum at the end of this report. In addition to verifying the model's performance, the AMU also made the output available in the Advanced Weather Interactive Processing System II (AWIPS II). This allows the 45 WS and AMU staff to customize the model output display on the AMU and Range Weather Operations AWIPS II client computers and conduct real-time subjective analyses. In the future, the AMU will implement an updated version of the WRF-EMS model that incorporates local data assimilation. This model will also run in real-time and be made available in AWIPS II.

Numerical Weather Prediction↗
NASA NTRS2024

Mineral Dust Optical Properties for Remote Sensing and Global Modeling: A Review

Dust plays a key role in many Earth system processes and is ubiquitous in the Martian atmosphere. Various intensive field campaigns, laboratory analyses, space-based remote sensing missions, and global modeling efforts aim to characterize dust optical properties. This is a bountiful time for dust scientists, and yet the interpretation of retrievals and comparison to models remains complicated by various conflicting assumptions that are part of each algorithm. For example, the conversion of satellite radiance measurements into products like aerosol optical depth for model evaluation depends upon aerosol properties like particle size and shape that are often prescribed and not part of the retrieval. Conversely, the model calculation of aerosol optical depth often uses different assumptions. The goal of this review is to first document algorithmic assumptions by various satellite retrieval products and models, and identify where there is consistency and where there are differences. In general, the differences documented in this paper reflect uncertainties resulting from incomplete observational characterization of dust aerosols and limitations in our understanding. Second, we note what observations might reduce uncertainties in our knowledge and bring greater consistency to retrievals and models, allowing for a more rigorous and harmonious comparison. The lack of comprehensive and realistic shape models for dust is an outstanding issue, such that closure between forward modeling from particle refractive index, shape, and size and observed optical properties cannot be achieved. Limitations in the computational methods that must be applied to model scattering from complex shapes also makes accurate optical modeling for dust challenging. Field observations indicate the persistence of coarse and giant dust particles at higher altitudes and farther downwind from their source than previously expected. Remote sensing retrieval algorithms based on observations at visible wavelengths have limited sensitivity to these particles and generally do not consider them, although a recent product based on longwave radiances is encouraging. Current measurements of the refractive index of bulk dust and fundamental dust minerology components such as hematite vary widely, inhibiting attempts to represent the variability in dust optical properties and forcing, as expected from different major dust source regions on Earth that have varying mineralogical composition. Some remote sensing retrieval algorithms allow for limited refractive index variability in their inversion solutions through mixing with other fine mode aerosol models, or optimizing the single scattering albedo, but Earth system models surveyed for this paper assume a globally uniform, size-invariant refractive index. Although no Martian dust samples have yet been returned to Earth, remote sensing observations indicate that Martian dust is globally homogenous in composition, and a single spectral refractive index assumption has been widely adopted to represent Martian dust. The lack of comprehensive, statistically representative measurements of dust particle microphysical properties (size distribution, morphology, complex index of refraction spectra, internal structure heterogeneity), and the resulting optical properties, limits our ability to verify the fidelity of these assumptions. A chain of measurements is needed, ranging from characterizing individual dust mineralogy components (e.g., pure hematite and goethite) to in situ sampling of complex atmospheric aerosol mixtures. Such results could be applied to both remote sensing retrievals that characterize the optical properties of the total aerosol burden in the atmosphere from total radiance measurements, and to global models that represent the total aerosol burden in the atmosphere by building it up from the balance of individual aerosol sources and sinks.

Aeolian dust↗
NASA NTRS2007

Users Guide for the Anvil Threat Corridor Forecast Tool V1.7.0 for AWIPS

The Applied Meteorology Unit (AMU) originally developed the Anvil Threat Sector Tool for the Meteorological Interactive Data Display System (MIDDS) and delivered the capability in three phases beginning with a feasibility study in 2000 and delivering the operational final product in December 2003. This tool is currently used operationally by the 45th Weather Squadron (45 WS) Launch Weather Officers (LWO) and Spaceflight Meteorology Group (SMG) forecasters. Phase I of the task established the technical feasibility of developing an objective, observations-based tool for short-range anvil forecasting. The AMU was subsequently tasked to develop short-term anvil forecasting tools to improve predictions of the threat of triggered lightning to space launch and landing vehicles. Under the Phase II effort, the AMU developed a nowcasting anvil threat sector tool, which provided the user with a threat sector based on the most current radiosonde upper wind data from a co-located or upstream station. The Phase II Anvil Threat Sector Tool computes the average wind speed and direction in the layer between 300 and 150 mb from the latest radiosonde for a user-designated station. The following threat sector properties are consistent with the propagation and lifetime characteristics of thunderstorm anvil clouds observed over Florida and its coastal waters (Short et al. 2002): a) 20 n mi standoff circle, b) 30 degree sector width, c) Orientation given by 300 to 150 mb average wind direction, d) 1-, 2-, and 3- hour arcs in upwind direction, and e) Arc distances given by 300 to 150 mb average wind speed. Figure 1 is an example of the MIDDS Anvil Threat Sector tool overlaid on a visible satellite image at 2132 UTC 13 May 2001. Space Launch Complex 39A was selected as the center point and the Anvil Threat Sector was determined from upper-level wind data at 1500 UTC in the preconvective environment. Narrow thunderstorm anvil clouds extend from central Florida to the space launch and landing facilities at the Kennedy Space Center (KSC) and Cape Canaveral Air Force Station (CCAFS) and beyond. The anvil clouds were generated around 1930 UTC (1430 EDT) by thunderstorm activity over central Florida and transported 90 n mi east-northeastward within 2 hours, as diagnosed by the anvil forecast tool. Phase III, delivered in February 2003, built upon the results of Phase II by enhancing the Anvil Threat Sector Tool with the capability to use national model forecast winds for depiction of potential anvil lengths and orientations over the KSC/CCAFS area with lead times from 3 through 168 hours (7 days). In September 2003, AMU customers requested the capability to use data from the KSC 50 MHz Doppler Radar Wind Profiler (DRWP) in the Anvil Threat Sector Tool and this capability was delivered by the AMU in December 2003. In March 2005, the AMU was tasked to migrate the MIDDS Anvil Threat Sector Tool capabilities onto the Advanced Weather Interactive Processing System (AWIPS) as the Anvil Threat Corridor Forecast Tool.

Bauman, William H., III↗
NASA NTRSDate not supplied

Anomalous and Ungrouped Carbonaceous Chondrites in the US Antarctic Meteorite Collection and their Potential Relevance to Ryugu and Bennu

With two different carbonaceous asteroid sample return missions in full swing, attention has focused on what connections can be made between the asteroid samples and the wide range of carbonaceous chondrite meteorites in worldwide collections. The US Antarctic meteorite collection contains nearly 1000 carbonaceous chondrites of various types including many in well-established groups as well as ungrouped, unusual or anomalous groups [1]. Some of the latter have been included in, or are possibly related to, recently proposed new carbonaceous chondrite classifications – CA and CY chondrites [2,3]. In addition to these, there are numerous ungrouped samples that have properties intermediate between established groups (like CM and CO; [4]), distinct from any other groups [5], or have anomalous properties that might be attributable to parent body processes such as heating, fluid interaction, or impacts [6]. Some CM anomalous or ungrouped chondrites share spectral features with Ryugu, which has a small hydration peak arguably due to hydrated minerals left after either impact heating or shock in carbonaceous chondrites [7]. PCA 91008, PCA 02012, GRO 95566, and LEW 85311 are all CMs that have experienced heating or metamorphism that may be due to impacts, solar radiation, or radiogenic decay [6]. These samples all have low H contents, C/H (bulk), and low 17O [6,8] and may hold clues to understanding the mineralogy of Ryugu, or interpretations of its spectral properties. WIS 91600, on the other hand, appears to be related to several other highly altered CM [6], and shares properties with the newly proposed CY chondrites [6]. An understanding of this grouplet will also aid in the interpretation of Bennu samples which have strong hydration features. In addition, ungrouped carbonaceous chondrites may provide valuable insights into the aqueous alteration potentially recorded in Bennu and Ryugu samples; such as the relatively moderate aqueous alteration recognized and dated at 4-5 myr after CAIs in MAC 88107 (C2-ungrouped) by [9] to the extensive aqueous alteration apparent in MIL 090292 (C1-ungrouped) [10]. Finally, LON 94101/94102 is a brecciated CM chondrite with numerous lithologies. Its appearance is similar to some of the brecciated lithologies visible at the surface of Bennu and Ryugu [11]. Although CM chondrites with multiple lithologies are common (e.g., [12]), the lithologies are often difficult to resolve at the hand specimen scale and only after some detailed e-beam characterization are the subtle lithologic differences evident (e.g., [13]). LON 94102 contains visibly distinct clasts at the hand specimen scale, relatively rare for CM breccias. The largest CM chondrites by mass from the U.S. Antarctic meteorite collection may provide insights into the extent of brecciation and heterogeneity within more typical CM chondrite-like source asteroids. For example, recent curation CT scans [14] show possible clasts within in a subsplit of ALH 83100 (CM1/2) which is the largest CM chondrite or CM chondrite pairing group in the U.S. Antarctic collection with an original mass of 3.019 kg. Similar work on additional subsplits or meteorites may aid our understanding of heterogeneity within CM chondrites from Antarctica. Initial classification of CM chondrites in U.S. Antarctic meteorite collection includes preliminary pairing when petrographically similar CM chondrites that have been previously found in the same field area. The two largest CM chondrite preliminary pairing groups by mass are the ALH 83102 (CM2) pairing group with an original mass of 2.554 kg and the EET 96005 (CM2) pairing group with an original mass of 1.125 kg. However, preliminary pairing groups assigned at classification—intrinsically— do not include stones that are petrographically distinct. Rigorous pairing group studies of CM chondrites from specific field sites are needed to investigate if there is unrecognized heterogeneity in CM chondrites from Antarctica that may represent common asteroid impactors (pre-atmospheric entry asteroids/meteoroids). Detailed pairing studies have the potential to recognize initial stones with multiple lithologies and investigate if there are stones that only sample one of those respective lithologies in the collection. These groups of heated CMs, extensively hydrated CMs, intermediate between CM and CO chondrites, and brecciated samples are all potentially relevant to Bennu and Ryugu samples, where heating, hydration, and brecciation have all come into play. These bodies might also be comprised of material intermediate to CM and CO chondrites, or at least distinct from the well-established CC groups. These small and unusual groups of carbonaceous chondrites may help to unlock new information about early solar system processes and aid in the understanding of the evolution of these carbonaceous asteroids.

meteorites↗
DOE OSTI2024

Overview and Commentary on Applying the Coordinated Vulnerability Disclosure Process to Photovoltaic System Devices

The rapid expansion of photovoltaic (PV) systems, particularly inverters, has introduced new cybersecurity challenges that threaten both local operations as well as the broader electrical grid’s stability. PV inverters, integrated into critical energy infrastructure are potential targets for cyber attacks due to vulnerabilities in firmware, remote access systems, and communication protocols. The Coordinated Vulnerability Disclosure (CVD) process, as defined by the Cybersecurity and Infrastructure Security Agency (CISA), provides a framework for identifying, reporting, and addressing these vulnerabilities in a transparent and collaborative manner. This report outlines the CVD process as it applies to PV systems, detailing the roles of key stakeholders, such as manufacturers, grid operators, and security researchers. The report also highlights specific challenges in managing vulnerabilities for new and legacy PV systems, which includes those introduced by insecure communications and third-party supply chain components. By adhering to the CVD process, the PV industry can mitigate cybersecurity risks, ensure regulatory compliance, and maintain consumer trust, while safeguarding the operational resilience of the energy grid. Ultimately, the effective coordination of vulnerability management is crucial for securing the future of PV systems within the critical electric grid infrastructure landscape.

14 SOLAR ENERGY↗
DOE OSTI2020

Design of additively manufactured methanol conversion reactor for high throughput production

Additively manufactured methanol conversion reactor was designed and fabricated for high throughput fuel production while capturing carbon dioxide. Here, the reactor designed is part of large effort in integrating electrolyzer and catalytic reactor system. Processing in fabricating the steel, titanium, and nickel alloy reactors were optimized to improve the catalyst deposition process and reaction efficiency. Microstructure of the additively manufactured reactors were characterized. General design is utilized to improve the performance of the reactor while exploring the benefit of freeform in additive manufacturing.

08 HYDROGEN↗
DOE OSTI2019

The Tracking Machine Learning Challenge: Accuracy Phase [Book Chapter]

This work reports the results of an experiment in high energy physics: using the power of the "crowd" to solve difficult experimental problems linked to tracking accurately the trajectory of particles in the Large Hadron Collider (LHC). This experiment took the form of a machine learning challenge organized in 2018: the Tracking Machine Learning Challenge (TrackML). Its results were discussed at the competition session at the Neural Information Processing Systems conference (NeurIPS 2018). Given 100.000 points, the participants had to connect them into about 10.000 arcs of circles, following the trajectory of particles issued from very high energy proton collisions. The competition was difficult with a dozen front-runners well ahead of a pack. The single competition score is shown to be accurate and effective in selecting the best algorithms from the domain point of view. The competition has exposed a diversity of approaches, with various roles for Machine Learning, a number of which are discussed in the document

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Application of nonlinear photonic crystal ring resonators in realizing all optical OR/NOT/AND gates

Arithmetic logic unit (ALU) is the core of any digital processing systems. For creating an all optical ALU one needs basic logic gates such as optical NOT, OR and AND gates along with an optical full adder and optical multiplexer. In this paper we aim to design and propose these three basic logic gates using nonlinear photonic crystal ring resonators. The simulations will be done using plane wave expansion and finite difference time domain methods. The proposed structures work based on controlling the optical behavior of the nonlinear resonators using optical power. The simulation results show that the switching threshold for this resonant ring is about 15 mW/μm{sup 2}. Reduced delay times and switching optical power are the main advantages of the proposed structures. Also by adding two resonant rings in input ports we reduced the cross reflection between the input ports.

42 ENGINEERING↗
DOE OSTI2019

Quantum information in the Posner model of quantum cognition

Matthew Fisher recently postulated a mechanism by which quantum phenomena could influence cognition: Phosphorus nuclear spins may resist decoherence for long times. The spins would serve as biological qubits. The qubits may resist decoherence longer when in Posner molecules. We imagine that Fisher postulates correctly. How adroitly could biological systems process quantum information (QI)? We establish a framework for answering. Additionally, we construct applications of biological qubits to quantum error correction, quantum communication, and quantum computation. First, we posit how the QI encoded by the spins transforms as Posner molecules form. The transformation points to a natural computational basis for qubits in Posner molecules. From the basis, we construct a quantum code that detects arbitrary single-qubit errors. Each molecule encodes one qutrit. Shifting from information storage to computation, we define the model of Posner quantum computation. To illustrate the model’s quantum-communication ability, we show how it can teleport information incoherently: A state’s weights are teleported. Dephasing results from the entangling operation’s simulation of a coarse-grained Bell measurement. Whether Posner quantum computation is universal remains an open question. However, the model’s operations can efficiently prepare a Posner state usable as a resource in universal measurement-based quantum computation. The state results from deforming the Affleck–Kennedy–Lieb–Tasaki (AKLT) state and is a projected entangled-pair state (PEPS). Finally, we show that entanglement can affect molecular-binding rates, boosting a binding probability from 33.6% to 100% in an example. This work opens the door for the QI-theoretic analysis of biological qubits and Posner molecules.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

A sustainable cobalt separation with validation by techno-economic analysis and life-cycle assessment

Sustainable, cost-effective cobalt/nickel separations chemistry contributes to the realization of economically competitive lithium-ion battery recycling, as well as primary mining of cobalt and nickel. Such improvements can address supply chain challenges for cobalt, a critical element. Herein, we disclose a simple method for separating Co/Ni by second coordination-sphere molecular recognition. Selective cobalt precipitation is achieved using carbonate ions in an ammonia solution due to the outer-sphere, hydrogen bonding interactions between [Co(NH 3 ) 6 ] 3+ and CO 3 2− , evaluated with density functional theory calculations. We demonstrate this method on mixtures of Co/Ni chlorides comprising a 10-fold excess of Ni and provide comparisons with ore-processing systems. High purities (99.4(3)% Co; 98.2(4)% Ni) and recoveries (77(8)% Co; ∼100% Ni) were observed for both Co- and Ni-enriched products using optimized conditions. In conclusion, this method is potentially economically competitive based on initial techno-economic analysis (TEA) and life-cycle assessment (LCA) that also illustrate advantages in terms of sustainability.

cobalt↗
DOE OSTI2023

Mathematical Programming Models for Shale Oil & Gas Development: A Review and Perspective

Here, in this paper, we provide a comprehensive review of mathematical programming models for shale oil & gas development, and we offer a perspective on outstanding research opportunities. We distinguish contributions in five major topic areas, namely: (1) development planning, (2) water management, (3) production optimization, (4) supplies, gathering & processing, and (5) life cycle analysis & sustainability. We highlight how various types of mathematical programming models (i.e., linear programs, nonlinear programs, mixed-integer linear programs, mixed-integer nonlinear programs) have been proposed primarily by the Process Systems Engineering community to address the respective decision-making problems, and we highlight instances of successful deployment in industry. Finally, based on a critical assessment of the existing body of work, we identify opportunities for future research across the major topic areas.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

High salinity seawater boiling point elevation: Experimental verification

Boiling point elevation (BPE) for high salinity solutions is a crucial parameter that significantly affects the overall thermal efficiency of desalination, water treatment, and many other industrial processing systems, especially when minimum or zero liquid discharge is a key requirement. This paper addresses the discrepancies among the empirical correlations reported in the literature that were commonly used to determine BPE for seawater solutions. An evaluation of the experimental data with low solution concentration reveals that the data cannot be extrapolated to determine the BPE at high concentration (X > 140 ppt or g/kg). Besides, disparities are established within different equations used to determine the BPE for high salinity seawater. As a result of the minimal availability of experimental data of BPE for X > 140 ppt and the need to eliminate the discrepancies, an experimental setup was built, which can produce reliable and repeatable BPE data for any solution concentration. Boiling points were obtained experimentally for seawater solutions with a wide range of salinity (X between 20 and 280 ppt) and brine solution temperature (t b between 20 and 80°C). The experimental results of boiling point elevations for seawater are further compared with the experimental data and analytical results reported in the literature. The newly obtained experimental results show that the minimum and maximum BPE values for the brine solutions tested are 0.175°C at t b = 80°C and X = 20 ppt, and 11.6°C at t b = 80°C and X = 280 ppt, respectively. Furthermore, the measured BPE data for seawater concentration over 80 ppt are fitted and presented using an appropriate fitting model. The new correlation can accurately predict the BPE for high salinity seawater brines and thus should be very helpful in the design of high-energy-efficient evaporation systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Parametric optimization of the liquid sampling-atmospheric pressure glow discharge ionization source coupled to an Orbitrap mass spectrometer for neodymium isotope ratio determinations

Isotope ratio determinations are a valuable tool in several application areas. In nuclear forensics, the isotope ratios of uranium and plutonium are commonly used as a signature for the nuclear material's provenance and processing history. However, signatures from other coexisting elements, such as neodymium and samarium, can offer additional insights. Here, the liquid sampling-atmospheric pressure glow discharge (LS-APGD) ionization source coupled to an Orbitrap mass spectrometer (MS) has demonstrated its utility for actinide measurements. This instrumental platform can leverage the high resolution offered by the Orbitrap MS to overcome potential isobaric interferences, such as 144 Nd- 144 Sm, 148 Nd- 148 Sm, and 150 Nd- 150 Sm pairs. The work presented herein demonstrates the rapid, accurate, and precise determination of the isotope ratios for neodymium using the LS-APGD/Orbitrap MS. Both the LS-APGD and Orbitrap MS parameters were optimized systematically, with NdO + found to be the most abundant, most reduced species after applying the optimal collision-induced dissociation modalities. A limit of detection of 3 pg of 142 Nd was achieved when data was acquired and processed using the FTMS Booster, an external data acquisition and processing system offered by Spectroswiss. Excellent accuracy of better than 99 % and precision of <1 % RSD were achieved when a solution of the well-characterized neodymium standard (JNdi-1 standard) was analyzed under the optimized condition, indicating the LS-APGD/Orbitrap's great potential for isotope ratio analysis of Nd and other REEs for diverse applications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Adsorptive denitrogenation of model aviation fuel using mesoporous silica in a packed bed adsorption system

This study aims to understand the effects of system process parameters such as flow rate, adsorbent particle size, and use of recycled adsorbent on denitrogenation performance of a model fuel using mesoporous silica gel. The goal is to reduce the nitrogen content of the model fuel from 1500 parts per million to single-digit ppm to meet ASTM specifications for drop-in fuels. This work was done with the intent of applying adsorptive denitrogenation to sustainable aviation fuel (SAF) product fractions produced via hydrothermal liquefaction (HTL). The adsorption performance of the silica is evaluated via packed column breakthrough data, with data generated from collecting from the column outlet and quantifying nitrogen content via gas chromatography. Select experiments use a significantly larger (2.5x column diameter and length) column to demonstrate linear scalability of the process. Thermogravimetric analysis data is collected to evaluate the effects of thermal calcination as a sorbent regeneration method. Effects of a more complex feed are also investigated using a known reference fuel with additional added nitrogen containing compounds. The results presented in this work successfully demonstrate up to 99.8 % removal of NCCs from a model fuel fraction at an original NCC concentration of approximately 1500 ppm to single-digit parts per million after treatment. We also examine calcination of sorbent materials to remove the adsorbed species to enable sorbent reuse and minimize waste generation and show that the calcined material can be reused up to 5 cycles with reduced adsorption capacity. Overall, this work indicates that adsorptive denitrogenation using silica gel is a viable solution to enable the integration of HTL-derived aviation fuels into existing fuel infrastructure.

Adsorption techniques↗