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At least 379 records · Page 21

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DOE OSTI2023

One-Pot Synthesis of Melamine Formaldehyde Resin-Derived N-Doped Porous Carbon for CO 2 Capture Application

The design and synthesis of porous carbons for CO 2 adsorption have attracted tremendous interest owing to the ever-soaring concerns regarding climate change and global warming. Herein, for the first time, nitrogen-rich porous carbon was prepared with chemical activation (KOH) of commercial melamine formaldehyde resin (MF) in a single step. It has been shown that the porosity parameters of the as-prepared carbons were successfully tuned by controlling the activating temperature and adjusting the amount of KOH. Thus, as-prepared N-rich porous carbon shows a large surface area of 1658 m 2 /g and a high N content of 16.07 wt%. Benefiting from the unique physical and textural features, the optimal sample depicted a CO 2 uptake of up to 4.95 and 3.30 mmol/g at 0 and 25 °C under 1 bar of pressure. More importantly, as-prepared adsorbents show great CO 2 selectivity over N 2 and outstanding recyclability, which was prominently important for CO 2 capture from the flue gases in practical application. An in-depth analysis illustrated that the synergetic effect of textural properties and surface nitrogen decoration mainly determined the CO 2 capture performance. However, the textural properties of carbons play a more important role than surface functionalities in deciding CO 2 uptake. In view of cost-effective synthesis, outstanding textural activity, and the high adsorption capacity together with good selectivity, this advanced approach becomes valid and convenient in fabricating a unique highly efficient N-rich carbon adsorbent for CO 2 uptake and separation from flue gases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Quantifying atmospheric carbon removal at pulp and paper mills: a life cycle assessment across system boundaries

The pulp and paper industry is a promising yet underexplored platform for large-scale carbon dioxide removal (CDR) due to its use of biogenic feedstocks and production of concentrated CO 2 emissions from point sources. This study presents the first comprehensive life cycle assessment (LCA) of retrofitting an amine-based carbon capture and storage (CCS) system into a representative virgin kraft pulp and paper mill in the Southeastern U.S. We evaluate carbon removal across five system configurations, applying both static and dynamic LCA methods under multiple functional units: CO 2 captured, biomass input, and paper output. Results show that CCS retrofits can convert a conventional mill from a net emitter into a net carbon sink, with total removal efficiencies from 17% to 92% (metric tonnes of CO 2 removed per metric tonne of CO 2 available for removal under selected boundary conditions). When carbon removal is normalized to the quantity of biogenic CO 2 captured—a narrow, gate-to-gate system boundary that considers only CCS facility emissions—removal efficiencies reached as high as 92%. The use of such narrow boundaries aligns with precedents in traditional LCA methodology, where gate-to-gate assessments are commonly applied to isolate process-level performance and allocate emissions accordingly, providing a consistent basis for comparison across technologies. Under broader cradle-to-grave boundaries—which begin tracking carbon at the point of its physical removal from the atmosphere via photosynthesis in the forest, and extend to include upstream forest operations, mill-wide emissions, and downstream product decomposition—efficiencies declined, ranging from 17% to 46% under static assumptions and dropping to 12% when accounting for dynamic biogenic carbon fluxes over time. These results underscore how system boundary definitions influence reported outcomes, while also illustrating the complementary roles of narrow and broad perspectives for different decision-making contexts.

09 BIOMASS FUELS↗

NASA NTRS1994

Neural net controller for inlet pressure control of rocket engine testing

Many dynamic systems operate in select operating regions, each exhibiting characteristic modes of behavior. It is traditional to employ standard adjustable gain proportional-integral-derivative (PID) loops in such systems where no apriori model information is available. However, for controlling inlet pressure for rocket engine testing, problems in fine tuning, disturbance accommodation, and control gains for new profile operating regions (for research and development) are typically encountered. Because of the capability of capturing I/O peculiarities, using NETS, a back propagation trained neural network is specified. For select operating regions, the neural network controller is simulated to be as robust as the PID controller. For a comparative analysis, the higher order moment neural array (HOMNA) method is used to specify a second neural controller by extracting critical exemplars from the I/O data set. Furthermore, using the critical exemplars from the HOMNA method, a third neural controller is developed using NETS back propagation algorithm. All controllers are benchmarked against each other.

Trevino, Luis C.↗

DOE OSTI2025

Capture of volatile RuO 4 from oxidized simulated used nuclear fuel solutions

Ruthenium is a challenging fission product in used nuclear fuel (UNF) reprocessing due to its complex redox chemistry, variable speciation in nitric acid, partial extractability, and volatility. This work presents a strategy for Ru removal based on the volatilization of RuO 4 using the strong oxidant sodium bismuthate, followed by RuO 2 deposition onto various substrates. Among the materials tested, polymer-based substrates such as polyolefin wax film (Parafilm®), exhibited superior performance, achieving up to near-quantitative Ru removal from solution. After dissolution of the substrate, 99.6% of the Ru was recovered as RuO 2 . The deposition mechanism onto the polyolefin wax film involves both physisorption and chemical reaction through oxidative cleavage of olefinic bonds within the polymer. In contrast, on inorganic substrates such as Al foil, RuO 4 undergoes incomplete surface adsorption and reduction, as confirmed by FTIR and XPS analyses. This approach remains effective under conditions of simulated oxidation of UNF solutions, selectively removing Ru while leaving other fission products in solution. As a result, capture of RuO 4 offers a practical and efficient strategy for ruthenium decontamination and recovery, offering a route for integration into existing UNF reprocessing flowsheets to enhance overall process safety and performance.

Ruthenium↗

DOE OSTI2025

High-current-density electrosynthesis of formate from captured CO 2 solution by MOF-derived bismuth nanosheets

Greenhouse gas emissions present a significant challenge to humanity, and utilizing renewable electricity to convert emitted CO 2 into value-added products offers a promising solution; however, traditional CO 2 capture and regeneration processes remain energy-intensive, restricting the overall system efficiency and decarbonization efficacy. In this study, an advanced direct reduction of captured CO 2 with large current densities for formate electrosynthesis was demonstrated without the need for CO 2 regeneration or compression. The bismuth nanosheet (DRM-BiNS) was synthesized by direct reduction of a Bi-based MOF, representing a new class of catalytic materials with a large surface area and interconnected pores, suitable for the direct reduction of captured CO 2 . By seamlessly combining experimentation and simulation, insights into the structure-parameter-performance relation were acquired in a flow cell setting, including critical membrane-electrode distance, cell orientation, and pumping flow rate. Important flow-cell components, such as catholyte volume, electrode substrate, membrane choice, and ionomer type, were also carefully examined to enhance the cell performance. In sharp contrast to prior studies limited to current densities below 20 mA/cm 2 in bicarbonate-based captured CO 2 solutions, this work demonstrates a remarkable current density of 300 mA/cm 2 with an FE to formate comparable to the case with gas-fed CO 2 reduction. Moreover, the process sustained an FE above 50% at a high current density of 500 mA/cm 2 . The DRM-BiNS catalyst exhibited outstanding selectivity, activity, and stability, significantly outperforming oxide-derived bismuth nanosheets (OD-BiNS) in captured CO 2 reduction. Furthermore, these findings offer critical insights into the development of sustainable and scalable CO 2 utilization technologies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Facilitated Transport Membranes with Tunable Amine-CO 2 Chemistry for CO 2 /H 2 Separation

CO 2 -selective, amine-containing facilitated transport membranes are of great interest for syngas purification since high-pressure H 2 can be retained upon CO 2 removal. A variety of amine-containing polymers have shown decent chemical and thermal stability at aggressive conditions, but their CO 2 /H 2 separation properties are largely limited by the hydrostatic compaction and severe carrier saturation associated with the high syngas pressure. Herein, we report a new approach to enhance the CO 2 permeability by manipulating the steric hindrance of the amine carriers. A series of α-aminoacids with different alkyl or hydroxyethyl substituents are deprotonated by 2-(1-piperazinyl)ethylamine, leading to nonvolatile amine carriers with different degrees of steric hindrance. For hosting the low MW amine carriers, a highly crosslinked poly(vinyl acetal) is synthesized as a water-swellable polymer network. In order to avoid membrane compaction, perforated graphene oxide mono-sheets are dispersed as reinforcement fillers. In the presence of moisture, a bulkier alkyl substituent to the amino site (increasing steric hindrance) destabilizes the carbamate adduct and thus drastically increases the chemisorption of CO 2 , while the incorporation of ethylene oxide groups provides additional physisorption of CO 2 . The enhanced CO 2 solubility significantly mitigates the carrier saturation behavior, and an unprecedented CO 2 /H 2 selectivity greater than 100 is demonstrated at 107 °C and 12.5 atm of CO 2 partial pressure. As the CO 2 partial pressure reduces to 0.4 atm, a less hindered amine yields a higher reactive diffusivity of CO 2 , resulting in a CO 2 permeance of 435 GPU with a selectivity greater than 500. These reaction-mediated polymeric membranes are well above the theoretical upper bound, and they are of great interest for designing a highly-selective membrane process for syngas purification.

08 HYDROGEN↗

DOE OSTI2021

Unveiling the mechanism of phase and morphology selections during the devitrification of Al-Sm amorphous ribbon

The complex interplay between energetic and kinetic factors that governs the phase and morphology selections can originate at the earliest stage of crystallization in the amorphous parent phases. Because of the extreme difficulties in capturing the microscopic nucleation process, a detailed picture of how initial disordered structures affect the transformation pathway remains unclear. Here, we report the experimental observation of widely varying phase selection and grain size evolution during the devitrification of a homogeneous melt-spun glassy ribbon. Two different crystalline phases, θ-Al 5 Sm and ε-Al 60 Sm 11 , are found to form in the different regions of the same metallic glass ribbon during the devitrification. The grain size of ε-Al 60 Sm 11 phase shows a strong spatial heterogeneity. Coarse-grained ε-Al 60 Sm 11 phase coupled with the small volume fraction of θ-Al 5 Sm phase is preferably formed close to wheel side of the melt-spun ribbon. Combining experimental characterization and computational simulations, we show that phase selection and microstructure evolution can be traced back to different types and populations of atomic clusters that serve as precursors for the nucleation of different crystalline phases. Inhomogeneous cooling rates cause different structure orders across the glass sample during the quenching process. Our findings provide direct insight into the effect of structural order on the crystallization pathways during the devitrification of metallic glass. It also opens an avenue to study the detailed nucleation process at the atomic level using the metallic glass as a platform and suggests the opportunity of microstructure and property design via controlling the cooling process.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Physics-informed KNN milling stability model with process damping effects

This paper describes a k-nearest neighbors, or KNN, model for milling stability including process damping effects. A physics-based, frequency domain milling stability solution is used to generate the training data, but does not incorporate process damping effects. The data set is then updated using limited tests to capture the process damping behavior. A “stair step” approach is used to select the test points, where a first spindle speed-axial depth combination is selected based on the physics-based stability map, subsequent tests are defined using the previous test result, and data points are updated by knowledge of process damping behavior and the test results. Furthermore, the KNN modeling approach demonstrates the ability to predict both stable and unstable results, including process damping behavior.

42 ENGINEERING↗

DOE OSTI2022

Modeling Ni redistribution in the hydrogen electrode of solid oxide cells through Ni(OH) 2 diffusion and Ni-YSZ wettability change

Ni redistribution in the hydrogen electrodes of solid oxide cells is an important degradation mechanism. Its driving force is still under debate. This work focuses on the interplay between Ni(OH) 2 diffusion and Ni-YSZ wettability change. With a Ni(OH) 2 diffusion model developed in our previous work, we further employ three models for the Ni-YSZ contact angle to quantify the Ni-YSZ wettability change. The microstructure evolutions in a reconstructed Ni-YSZ electrode are simulated under selected experimental operating conditions. It is shown that the phenomenological model can capture the driving force of Ni spreading/detachment on YSZ surface and the Ni migration reported in experiments can be qualitatively reproduced through the competition between Ni(OH) 2 diffusion and Ni-YSZ wettability change. It is also found that the initial microstructure of the active layer and the microstructure characteristics in the support layer can strongly affect the distribution of steam partial pressure and overpotential, hence the Ni redistribution, in the active layer, which may explain the inconsistencies in experiments. Further, our results show that there are two missing pieces in current theory of Ni redistribution: a mechanism of fast Ni diffusion under humid atmosphere and the physical reason behind the Ni spreading/detachment.

25 ENERGY STORAGE↗

DOE OSTI2022

Investigating coastal backwater effects and flooding in the coastal zone using a global river transport model on an unstructured mesh

Abstract. Coastal backwater effects are caused by the downstream water level increase as a result of elevated sea level, high river discharge and their compounding influence. Such effects have crucial impacts on floods in densely populated regions but have not been well represented in large-scale river models used in Earth system models (ESMs), partly due to model mesh deficiency and oversimplifications of river hydrodynamics. Using two mid-Atlantic river basins as a testbed, we perform the first attempt to simulate the backwater effects comprehensively over a coastal region using the MOSART river transport model under an ESM framework, i.e., Energy Exascale Earth System Model (E3SM) configured on a regionally refined unstructured mesh, with a focus on understanding the backwater drivers and their long-term variations. By including sea level variations at the river downstream boundary, the model performance in capturing backwaters is greatly improved. We also propose a new flood event selection scheme to facilitate the decomposition of backwater drivers into different components. Our results show that while storm surge is a key driver, the influence of extreme discharge cannot be neglected, particularly when the river drains to a narrow river-like estuary. Compound flooding, while not necessarily increasing the flood peaks, exacerbates the flood risk by extending the duration of multiple coastal and fluvial processes. Furthermore, our simulations and analysis highlight the increasing strength of backwater effects due to sea level rise and more frequent storm surge during 1990–2019. Thus, backwaters need to be properly represented in ESMs to improve the predictive understanding of coastal flooding.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1982

Nuclear electric propulsion mission to Neptune

A nuclear electric propulsion (NEP) mission to Neptune is studied. Results of trajectory and propulsion parameter optimization are presented which lead to a selection of key electric propulsion system parameters. Spiral earth escape and spiral capture modes are assumed in the optimization studies. Flight time vs payload for Space Transportation System (STS)/Centaur injection and Triton-aided orbit capture at Neptune are also briefly investigated as methods of improving mission performance. Radiation effects of the earth spiral phase are discussed. The effects of NEP technology on science payloads and mission and system designs are evaluated. NEP is shown to be a very flexible and high performing propulsion technology.

Nock, K. T.↗

NASA NTRS2004

Chemical and Solar Electric Propulsion Systems Analyses for Mars Sample Return Missions

Conceptual in-space transfer stages, including those utilizing solar electric propulsion, chemical propulsion, and chemical propulsion with aerobraking or aerocapture assist at Mars, were evaluated. Roundtrip Mars sample return mission vehicles were analyzed to determine how specific system technology selections influence payload delivery capability. Results show how specific engine, thruster, propellant, capture mode, trip time and launch vehicle technology choices would contribute to increasing payload or decreasing the size of the required launch vehicles. Heliocentric low-thrust trajectory analyses for Solar Electric Transfer were generated with the SEPTOP code.

Donahue, Benjamin B.↗

NASA NTRS2004

Probing Within the Boundary Layer of an Airfoil by Using the Wind Numerical Code

A detailed boundary layer investigation of an NACA 0012 airfoil was made by applying the WIND code at the NASA Glenn Research Center. Structured C-grids of selected configurations were fitted around the airfoil. Grids with dense spacing to capture the boundary layer provided for obtaining accurate results in this region. Concurrent with the boundary layer investigation, contour plots of overall performance of the airfoil were also obtained. A Mach number of 0.80, a Reynolds number of 4,000,000, and a zero angle of attack were set to correspond with numerical and experimental investigations reported in the literature, for comparison with the overall performance. The results were favorable for both the boundary layer investigations and the performance. As WIND evolves, it is intended to run WIND using unstructured grids to compare such results with the current structured grid results.

Cavicchi, Richard H.↗

NASA NTRSDate not supplied

OVERFLOW Analysis of Supersonic Retropropulsion Testingon the CobraMRV Mars Entry Vehicle Concept

The CFD solver OVERFLOW was used to simulate the CobraMRV undergoing supersonic retropropulsion (SRP) in the Langley Unitary Plan Wind Tunnel as part of a pre-test study. Aerodynamics of the CobraMRV are summarized and the sensitivity of vehicle loads to CFD parameters at a subset of operating conditions are investigated. Specific numerical methods, boundary conditions, and turbulence modeling options have been selected after considering the complex phenomena in SRP flows. Proper shock-capturing methods and dynamic grid adaption are necessary to correctly capture vehicle loads and dynamics. Present data indicates that at particular conditions, upstream asymmetries originating from the tunnel inflow plane contribute to measurable asymmetries on the CobraMRV heatshield.

OVERFLOW↗

NASA NTRSDate not supplied

Alternate Methods of Model Reduction to Avoid Dynamic Modal Truncation Error

Loads analysis is traditionally performed using dynamically reduced models, which provides the benefit to reduce run time. If the reduced model frequency cutoff is not chosen appropriately, the model will lack the dynamic content required to fully represent the response of the non-reduced model. Standard guidance for reduced model frequency content, provided in NASA-STD-5002, is to solve fixed base modes up to a minimum of 1.5x the model frequency content of interest and to employ static modal truncation methods such as residual vectors, the mode acceleration method, and the residual flexibility method to account for the truncated flexibility of the missing modes. Fixed base modes require the selection of a set of degrees of freedom to be constrained which, if not properly selected, may affect the accuracy of the reduced model by excluding some of the dynamic characteristic of the full model. In this case, the standard NASA guidance would be insufficient, but it may not be readily apparent that a portion of the reduced model response is missing. This error was encountered during an independent verification and validation (IV&V) effort, where it was observed that the resulting dynamic response was lower than the inline analysis. In this specific case, despite following the standard NASA model reduction guidelines in the selection of the frequency cutoff, the inline model still did not fully capture the necessary dynamic content. As part of the IV&V, an alternate reduction methodology was employed using an unconstrained mode acceleration method. The original model initially performed a constrained reduction to twice the frequency content of interest before doing a free-free run, employing the mode acceleration method to account for the truncated modes. In contrast in the IV&V, the unconstrained model reduced directly to the needed frequency content of the free-free run, avoiding any interactions between constraints and dynamic content. To verify the model, the original reduction methodology was used to generate a series of Hurty-Craig-Bampton reductions, each with a higher frequency cutoff than the previous. The results were shown to converge once the frequency cutoff increased past eight times the frequency content of interest. At the same frequency cutoff, the results of the Hurty-Craig-Bampton model converged with the results of the unconstrained mode acceleration model. This comparative study provided confidence that the results of the unconstrained modal acceleration reduced model were correct and that the Hurty-Craig-Bampton needed to increase its frequency cutoff to fully capture the dynamic response.

Erin Simmons↗

NASA NTRSDate not supplied

Alternate Methods of Model Reduction to Avoid Dynamic Modal Truncation Error

Erin Simmons↗

DOE OSTI2025

Simulated Moving Bed Process for CO 2 Capture from Humid Postcombustion Flue Gases Using MUF-16

Simulated moving bed (SMB) designs are increasingly being adapted for the separation of multicomponent gaseous mixtures. In this work, we develop a modified SMB process for capturing CO 2 from humid postcombustion flue gas using MUF-16 (MUF = Massey University Framework). MUF-16 shows excellent selectivity for CO 2 over N 2 , moderate heats of adsorption for CO 2 and H 2 O, and no competitive sorption of CO 2 over water at relative humidities relevant to postcombustion capture. We utilize these characteristics to propose a continuous process that uses N 2 from the feed as the desorbent for the water, eliminating the need for a separate desiccant bed and allowing for localized heating during desorption for H 2 O-saturated MOF beds. Single-component isotherms, single-column breakthrough experiments, and SO 2 stability tests suggest the excellent suitability of MUF-16 to this separation via the proposed SMB design.

CO2 capture from humid flue gas↗

NASA NTRS2018

Evaluation of Commercial-Off-The-Shelf (COTS) Electronics for Extreme Cold Environments

Deep space and Icy Moon missions (Titan, Enceladus, Ceres, Europa, & Ganymede) will need qualified extreme environment capable components for electronic systems located in extremities of their rovers and spacecraft. Commercial off the shelf (COTS) components would be advantageous to use for some aspects of such projects, given that they are easier to procure and offer a broad range of functionalities. Furthermore, theoretical and experimental data suggest that many COTS parts are capable of operation, and not just storage, at temperatures well beyond the manufacturer specified temperature limits. To help address the challenges presented at near cryogenic temperatures, a COTS selection knowledge base is being developed to estimate the performance of COTS components within cold environments. The knowledge base captures queries from a range of information sources such as cold functionality test results for part types and families, theoretical and experimental literature reviews and key findings are summarized here. In addition, a selection of components are planned to be examined for their performance to near cryogenic temperatures to generate a methodology for identification and verification of the COTS candidates. As the qualification of COTS parts for extreme environments can be very costly, this knowledge base can serve to reduce qualification time and cost by pre-selecting and limiting candidates.

Mojarradi, Mohammad↗