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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Selective capture and recovery of uranium oxide colloids from aqueous soil suspensions using high gradient magnetic filtration

High Gradient Magnetic Filtration (HGMF) is a promising method for the selective capture and recovery of uranium oxide from surface soils. To date, however, magnetic filtration of uranium oxide has only been demonstrated at a proof-of-principle scale using relatively small filters (<5 cm 3 ) at low flowrates (<60 mL/min). Here, to explore the efficacy of magnetic filtration of uranium oxide at a larger scale, a newly designed HGMF apparatus that is more than an order of magnitude larger than our earlier filters (106 cm 3 ) was designed, fabricated, and tested at relatively high flowrates. Filtration experiments were performed using aqueous uranium oxide particle suspensions with Arizona Road Dust (ARD) as a soil simulant. At a flowrate of 125 mL/min, the apparatus’ uranium capture rate was exceptionally high (96 %), but selectivity was poor due to the high rate of capture for diamagnetic soil constituents (e.g., 77 % for silicon). All particles were captured at a lower rate when the flowrate was increased to 250 mL/min, but uranium selectivity was significantly increased due to the more substantial reduction in diamagnetic particle capture (i.e., capture rate of 77 % and 15 % for uranium and silicon, respectively). When backwashing the apparatus at the same flowrates used during filtration experiments, the rate of uranium recovery tended to be fairly low. Nevertheless, higher flowrates (1 L/min) and sonication were both shown to be highly effective methods of increasing uranium recovery. Magnetic field simulations were also performed to investigate potential optimizations to the design of the apparatus. These simulations showed that the intensity of the applied magnetic field could be increased by increasing the thickness of the steel magnetic housing. Additionally, stochastic trajectory simulations were performed to investigate the potential mechanisms of particle capture.

HGMF↗
DOE OSTI2024

Tailoring Pore Architecture and Heteroatom Functionality of Polymeric Waste-Derived Nanoporous Carbon for CO 2 Capture Applications

This study proposes upcycling polymeric waste, i.e., waste floral foam, into high-performance nanoporous carbon that efficiently captures CO 2 . This paper presents strategies for improving the properties of nanoporous carbon, which aid in a superior CO 2 capture performance. Initially, pristine nanoporous carbon was produced from waste floral foam using various KOH impregnation ratios. The nanoporous carbon with a 1:2 (waste floral foam:KOH) ratio exhibiting optimal CO 2 capture capability was further advanced through single and dual atom doping. The doping of N and codoping of N,S atoms into the nanoporous carbon altered its textural and surface chemical properties, making them efficient for CO 2 capture. Comparative CO 2 capture studies of pristine nanoporous carbon (NC-x), N-doped nanoporous carbon (N-NC2), and N,S-codoped nanoporous carbon (N,S-NC2) demonstrate the superiority of N-doping. N-doped nanoporous carbon exhibited the largest ultramicroporosity (0.3100 cm3/g, 63.43%) and highest heteroatom content (34.94 atomic %), contributing to its enhanced CO 2 capture capability (4.54 mmol/g). Finally, implementing the “waste-to-depollution” approach, this research lays the groundwork for producing low-cost, environmentally friendly nanoporous carbon with remarkable CO 2 capture attributes.

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

Advanced Sensors for In-Situ Amine Degradation Monitoring in Post-Combustion Carbon Capture

In order to improve the long-term performance of post-combustion carbon capture technologies, improvements to the detection of solvent degradation or reduction in CO2 capture efficiency are necessary. A pair of sensors were deployed to the National Carbon Capture Center’s (NCCC) to monitor CO2 capture and solvent degradation. The CO2 sensors were located to measure before capture and after capture concentrations of CO2 to measure the capture efficiency of the solvent system. Amine degradation sensors were located at four locations along the main solvent lines corresponding to CO2 loading and temperature: hot rich, cold rich, hot lean, and cold lean. Experimental results from laboratory tests using the sensors are shown, along with prototype designs that were deployed to the field site.

Brister, Matthew↗
NASA NTRS1984

Capture of uncontrolled satellites - A flight demonstration

NASA is presently exploring concepts, systems, and devices for capturing uncontrolled or non-operational satellites. Understanding of this type capture involves development of requirements and options, analyses of approaches, and extensive ground simulations. The verification of an approach is expected to require flight demonstrations of the concepts and hardware to assure confidence in application. This paper addresses a flight demonstration involving the Shuttle, an Orbital Maneuvering Vehicle (OMV), a capture mechanism, and a target vehicle capable of providing characteristic motion. A mission scenario is projected which demonstrates a capture concept, mission sequencing, capture vehicle potential, and overall capture possibilities with man-in-the-loop control. The proposed demonstration is considered a stepping stone to more demanding capture requirements. On-orbit activities are deliberately constrained to existing technology and projected systems and hardware capability for the year 1990.

Lenox, H. M.↗
NASA NTRS1986

Intact capture of hypervelocity particles

Knowledge of the phase, structure, and crystallography of cosmic particles, as well as their elemental and isotopic compositions, would be very valuable information toward understanding the nature of our solar system. This information can be obtained from the intact capture of large mineral grains of cosmic particles from hypervelocity impacts. Hypervelocity experiments of intact capture in underdense media have indicated realistic potential in this endeaver. The recovery of the thermal blankets and louvers from the Solar Max spacecraft have independently verified this potential in the unintended capture of cosmic materials from hypervelocity impacts. Passive underdense media will permit relatively simple and inexpensive missions to capture cosmic particles intact, either by going to a planetary body or by waiting for the particles to come to the Shuttle or the Space Station. Experiments to explore the potential of using various underdense media for an intact comet sample capture up to 6.7 km/s were performed at NASA Ames Research Center Vertical Gun Range. Explorative hypervelocity experiments up to 7.9 km/s were also made at the Ernst Mach Institute. These experiments have proven that capturing intact particles at hypervelocity impacts is definitely possible. Further research is being conducted to achieve higher capture ratios at even higher hypervelocities for even smaller projectiles.

Tsou, P.↗
NASA NTRS1994

Penetration of multiple thin films in micrometeorite capture cells

As part of a continuing effort to develop cosmic dust detectors/collectors for use in space, we performed a series of hypervelocity impact experiments on combined sensor/capture-cell assemblies using 10-200-micron-diameter glass projectiles and olivine crystals at velocities of 0.9-14.4 km/s. The design objective of the space-flight instrument is to measure the trajectories of individual particles with sufficient accuracy to permit identification of their parent bodies and to capture enough impactor material to allow chemical and isotopic analyses of samples returned to Earth. Three different multiple-film small-particle capture cell designs (0.1-100-micron-thick Al foils with approx. 10, 100, and 1800 micron spacing) were evaluated for their ability to capture impactor fragments and residue. Their performances were compared to two other types of capture cells, foil covered Ge crystals, and 0.50 and 0.120 g/cu cm aerogels. All capture cells were tested behind multifilm (1.4-6.0-micron-thick) polyvinylidene fluoride (PVDF) velocity/trajectory sensor devices. Several tests were also done without the PVDF sensors for comparison. The results of this study were reported by Simon in a comprehensive report in which the morphology of impacts and impactor residues in various types of capture cells after passage through two PVDF sensor films is discussed. Impactor fragments in selected capture cells from impacts at velocities up to 6.4 km/s were identified using scanning electron microscopy with energy dispersive spectroscopy (SEM/EDS).

Simon, Charles G.↗
NASA NTRS1998

Case-Based Capture and Reuse of Aerospace Design Rationale

The goal of this project is to apply artificial intelligence techniques to facilitate capture and reuse of aerospace design rationale. The project applies case-based reasoning (CBR) and concept mapping (CMAP) tools to the task of capturing, organizing, and interactively accessing experiences or "cases" encapsulating the methods and rationale underlying expert aerospace design. As stipulated in the award, Indiana University and Ames personnel are collaborating on performance of research and determining the direction of research, to assure that the project focuses on high-value tasks. In the first five months of the project, we have made two visits to Ames Research Center to consult with our NASA collaborators, to learn about the advanced aerospace design tools being developed there, and to identify specific needs for intelligent design support. These meetings identified a number of task areas for applying CBR and concept mapping technology. We jointly selected a first task area to focus on: Acquiring the convergence criteria that experts use to guide the selection of useful data from a set of numerical simulations of high-lift systems. During the first funding period, we developed two software systems. First, we have adapted a CBR system developed at Indiana University into a prototype case-based reasoning shell to capture and retrieve information about design experiences, with the sample task of capturing and reusing experts' intuitive criteria for determining convergence (work conducted at Indiana University). Second, we have also adapted and refined existing concept mapping tools that will be used to clarify and capture the rationale underlying those experiences, to facilitate understanding of the expert's reasoning and guide future reuse of captured information (work conducted at the University of West Florida). The tools we have developed are designed to be the basis for a general framework for facilitating tasks within systems developed by the Advanced Design Technologies Testbed (ADTT) project at ARC. The tenets of our framework are (1) that the systems developed should leverage a designer's knowledge, rather than attempting to replace it; (2) that learning and user feedback must play a central role, so that the system can adapt to how it is used, and (3) that the learning and feedback processes must be as natural and as unobtrusive as possible. In the second funding period we will extend our current work, applying the tools to capturing higher-level design rationale.

Leake, David B.↗
NASA NTRS2003

Robust Extraction and Multi-Technique Analysis of Micrometeoroids Captured in Low Earth Orbit

The use of low-density silica aerogel as the primary capture cell technology for the NASA Discovery mission Stardust to Comet Wild-2 [1] is a strong motivation for researchers within the Meteoritics community to develop techniques to handle this material. The unique properties of silica aerogel allow dust particles to be captured at hypervelocity speeds and to remain partially intact. The same unique properties present difficulties in the preparation of particles for analysis. Using tools borrowed from microbiologists, we have developed techniques for robustly extracting captured hypervelocity dust particles and their residues from aerogel collectors[2-3]. It is important not only to refine these extraction techniques but also to develop protocols for analyzing the captured particles. Since Stardust does not return material to Earth until 2006, researchers must either analyze particles that are impacted in the laboratory using light-gasgun facilities [e.g. 41 or examine aerogel collectors that have been exposed in low-Earth orbit (LEO) [5]. While there are certainly benefits in laboratory shots, i.e. accelerating known compositions of projectiles into aerogel, the LEO capture particles offer the opportunity to investigate real particles captured under real conditions. The aerogel collectors used in this research are part of the NASA Orbital Debris Collection Experiment that was exposed on the MIR Space Station for 18 months [5]. We have developed the capability at the UCB Space Sciences Laboratory to extract tiny volumes of aerogel that completely contain each impact event, and to mount them on micromachined fixtures so that they can be analyzed with no interfering support (Fig.1). These aerogel keystones simultaneously bring the terminal particle and the particle track to within 10 m (15 g cm- ) of the nearest aerogel surface. The extracted aerogel wedges containing both the impact tracks and the captured particles have been characterized using the synchrotron total external reflection X-ray fluorescence (TXRF) microprobe at SSRL, the Nuclear Microprobe at LLNL, synchrotron infrared microscopy at the ALS facility at LBL and the NSLS at BNL, and the Total Reflection X-ray Fluorescence (TXRF) facility at SLAC.

Westphal, A. J.↗
NASA NTRS2010

U.S. Spacesuit Knowledge Capture

The ability to learn from both the mistakes and successes of the past is vital to assuring success in the future. Due to the close physical interaction between spacesuit systems and human beings as users, spacesuit technology and usage lends itself rather uniquely to the benefits realized from the skillful organization of historical information; its dissemination; the collection and identification of artifacts; and the education of individuals and groups working in the field. The National Aeronautics and Space Administration (NASA), other organizations and individuals have been performing United States (U.S.) spacesuit knowledge capture since the beginning of space exploration. Avenues used to capture the knowledge have included publication of reports; conference presentations; specialized seminars; and classes usually given by veterans in the field. Recently, the effort has been more concentrated and formalized whereby a new avenue of spacesuit knowledge capture has been added to the archives through which videotaping occurs, engaging both current and retired specialists in the field presenting technical scope specifically for education and preservation of knowledge. Now with video archiving, all these avenues of learning can be brought to life with the real experts presenting their wealth of knowledge on screen for future learners to enjoy. U.S. spacesuit knowledge capture topics have included lessons learned in spacesuit technology, experience from the Gemini, Apollo, Skylab and Shuttle programs, hardware certification, design, development and other program components, spacesuit evolution and experience, failure analysis and resolution, and aspects of program management. Concurrently, U.S. spacesuit knowledge capture activities have progressed to a level where NASA, the National Air and Space Museum (NASM), Hamilton Sundstrand (HS) and the spacesuit community are now working together to provide a rather closed-looped spacesuit knowledge capture system which includes specific attention to spacesuit system artifacts as well. A NASM report has recently been created that allows the cross reference of history to the artifacts and the artifacts to the history including spacesuit manufacturing details with current condition and location. NASA has examined spacesuits in the NASM collection for evidence of wear during their operational life. NASA s formal spacesuit knowledge capture efforts now make use of both the NASM spacesuit preservation collection and report to enhance its efforts to educate NASA personnel and contribute to spacesuit history. Be it archiving of human knowledge or archiving of the actual spacesuit legacy hardware with its rich history, the joining together of spacesuit system artifact history with that of development and use during past programs will provide a wealth of knowledge which will greatly enhance the chances for the success of future and more ambitious spacesuit system programs.

Chullen, Cinda↗
NASA NTRSDate not supplied

Accuracy of Center of Pressure Determination via Motion Capture

BACKGROUND: This study was conducted to support the stability assessment for tasks in lunar gravity and exercises on a Vibration Isolation and Stabilization (VIS) system in microgravity based on the dynamic feasibility criterion of whether the calculated position of the center of pressure (COP) falls within the base of support (BOS) which outlines the subject’s feet. Motion capture data combined with biomechanical modeling and simulation allows the forces and moments between the human and the VIS platform to be computed and the position of the COP as well as the location and shape of the BOS to be determined. The goal of this study was to assess the accuracy of the COP trajectory calculated using motion capture-based data. METHODS AND RESULTS: To obtain the dynamic quantities from which COP is calculated, motion capture data is first collected in the 1g lab environment by recording the trajectories of passive retroreflective markers placed on a subject during exercise or performance of a given task. The OpenSim [1] inverse kinematics (IK) tool is used to fit a scaled subject model to recorded marker trajectories while minimizing marker error to obtain joint angles. Then, a custom OpenSim plugin [2] is used to determine the subject’s time-varying moment of inertia and its time derivative, center of mass (CM) position, velocity, and acceleration, as well as the angular momentum and its time derivative relative to the subject’s CM. Some of these quantities are not needed for modeling tasks performed on a stationary lunar surface but, due to the moving exercise platform, are needed to model VIS response to the subject’s motion. Hand positions, used in calculating a cable force if present, are recorded as well. These quantities are used to calculate the total force (F ⃗^((plate) )) and moment (M ⃗^((plate) )) exerted by the lunar surface or the VIS plate on the subject’s shoe soles. COP is then calculated from the following equations: r_x^((cop) )= M_z^((plate) )/F_y^((plate) ) and r_z^((cop) )= 〖-M〗_x^((plate) )/F_y^((plate) ), where the y axis is normal to the surface. COP accuracy for feasibility assessments is then determined by whether it falls within the BOS, which is also computed by the plugin. To study the accuracy of COP calculated from motion capture, we first investigated whether COP remained within the BOS, as it must, for exercises performed in the 1g lab environment. Standard exercises such as back squat and deadlift were analyzed, as well as more explosive exercises including hang clean and press. Cases in which the COP exited the BOS indicated that COP accuracy required further investigation. In this study, an exercise device with cables was used, so cable force modeling accuracy should also be considered. In a separate study, we collected motion capture and force plate data for twenty-seven motions not involving an exercise device. About a third were genuine countermeasures exercises (e.g., hang clean and press), some were relevant for lunar tasks (e.g., object pick up), and the rest were of a “unit test” nature (e.g., swaying back and forth or side to side). Motion capture-based COP positions were compared with force plate measured COP. We found that while force plate measured COP remained within the BOS, motion capture-based COP was observed to briefly exit the BOS on occasion. Techniques to mitigate IK artifacts and filtering of calculated data could be used to improve the agreement of calculated and measured results, resolving excursions from the BOS within this dataset. The mean error between calculated and measured COP was found to be less than 6 mm. Additionally, we derived and investigated equations for the COP in terms of the cable force, cable location, as well as the human CM position, acceleration, and angular momentum with respect to the CM, and analyzed them for sensitivity to errors in individual quantities. Several were found, but the most significant one was that when the vertical force on the feet approaches zero, indicating a near-detachment or ‘jump off’ condition, errors are amplified. This is consistent with the observation that in the absence of pressure, the concept of the center of pressure would become meaningless.

C A Bell↗
NASA NTRSDate not supplied

Toward an IMU-based Space Suit Motion Capture System

Spacesuits are complex engineering systems that sustain human health and enable performance outside of Earth-like environments. These systems must support human mobility and physical workload demands while minimizing injury risk during extravehicular activity (EVA). Future EVA on the lunar surface during the Artemis program is expected to be more frequent and require higher physical workloads than previous EVAs during the ISS, Shuttle, or Apollo programs. Hence it is important to optimize future as well as current spacesuits to be efficient and comfortable for the success of space and planetary missions. To enable this, an efficient method is needed to test these spacesuits on the ground.When testing spacesuits in ground environments, it is often necessary to understand the kinematics of the suit to validate the design against relevant requirements or characterize the physical workload necessary to operate the suit. This is a challenging task for traditional optical motion capture (OMC) approaches: suit-mounted OMC markers are easily occluded by the subject or environment and may become detached during testing. Controlling lighting and reflectivity of objects in the motion capture volume is also difficult. Fixed-position OMC cameras also constrain testing to a small and contrived laboratory environment, disallowing kinematics capture in field environments.One promising alternative is the use of suit-mounted inertial measurement units (IMUs). These sensors are small, unobtrusive, and portable, but come at the cost of increased sensor noise and complexity of the software and mathematics to analyze the collected data. To this end, engineers at NASA are developing the Augmented Suit Inverse Kinematics (ASIK) system, a complete motion capture methodand inverse kinematics solver which relies solely on a network of wireless IMUs attached to the major kinematic segments of the spacesuit. The ASIK modeling language allows for the simple inclusion of probabilistic priors such as suit size and shape or IMU positions and rotations. Furthermore, to increase accuracy and reduce operational overhead to use this motion capture approach, the developed inverse kinematics solver exploits so-called self-calibratingalgorithmic techniques, which reduce the need for precise alignment of the sensors on the segments or scripted functional calibration procedures. The ASIK system was tested in a 7-subject pilot study. Each subject donned NASA’s new prototype exploration spacesuit in the Active Response Gravity Offload System (ARGOS) facility at the NASA Johnson Space Center. The subjects were outfitted with a set of 14 APDM (Portland, OR, USA) Opal IMUs, 12 of which were used in the ASIK model to estimate lower body and trunk kinematics. The subjects were also outfitted with a set of reflective OMC markers and traditional OMC data was collected and processed. Presented results will include characterization of ASIK-derived suit joint angles accuracy against an optical motion capture datum. Discussion of these results, as well as discussion of system calibration and nuances of mathematical observability, will be included.If successful, IMU-based motion capture will enable testing and validation of spacesuits more frequently, with less overhead, in more extreme environments. Future work will apply these techniques to common spacesuit testing tasks, such as gait, mobility, and balance assessment, physical workload characterization, and ergonomics evaluations.

Timothy Mcgrath↗
NASA NTRSDate not supplied

Evaluation of Markerless Motion Capture for Monitoring Sensorimotor Performance

BACKGROUND Astronauts returning from long-duration exposure to microgravity frequently exhibit alterations in sensorimotor function leading to postural imbalance, impaired locomotion, and operational challenges to manual control. Mission duration and individual responses often influence both the severity of performance decrements and the variability in adaptation timelines. Postflight disruptions during functional tasks are often detected through body-worn inertial measurement unit (IMU) devices. While IMU sensors are relatively compact, the long-term wear may lead to discomfort, displacement of the sensors on the body, and restrictions in movement or crew behavior. Although IMU data offers valuable insights from a research standpoint, interpreting changes in pre- and post-flight measures can be difficult for crew support personnel beyond the research domain, which can hinder the application for medical assessments and rehabilitation. Finally, the availability of inertial sensors in-flight is limited. There is a need for unobtrusive monitoring tools to improve our ability to monitor adaptation following gravitational transitions in various postflight evaluations and rehabilitation settings. Markerless motion capture (MMC) is an evolving unobtrusive technology that builds upon decades of research with marker-based motion capture systems to provide 3D human pose estimation from multiple synchronized 2D camera views using deep learning algorithms. Markerless technology can revolutionize how data is captured pre- and post-flight and potentially in-flight during intravehicular activity by enabling pose estimation of multiple crew members from onboard camera hardware. METHODS The following presents the initial evaluation of a state-of-the-art commercial-off-the-shelf MMC system, Theia Markerless, compared to IMU devices during various ground-based functional tasks and environmental conditions. The featured functional tasks include assessments from Human Research Program (HRP) funded studies such as Sensorimotor Standard Measures and Sensorimotor Assessments. Synchronous data collected using both motion capture and IMUs are analyzed for six male and female subjects of varying anthropometry. The analysis includes limited assessments of clothing, capture volume configurations, and the tool's sensitivity to detecting performance changes after a spaceflight analog centrifuge exposure. The development of visualization tools to enhance the application of the pose estimation output is also presented. RESULTS Initial results demonstrate comparable root mean square error (RMSE) to existing literature evaluating markerless and marker-based motion capture systems. Considering the relative functional range of motion of the cervical spine, normalized error values for the markerless system’s accuracy of the head was 0.032 in pitch, 0.025 in roll, and 0.018 in yaw plane of motion across a subset of functional tasks. The raw RMSE values were 3.49, 2.25, and 2.81 degrees respectively. For the torso, results suggest normalized errors of 0.469 in pitch, 0.191 in roll, and 0.307 in yaw planes of motion and raw RMSE values of 3.52, 1.53, and 3.07 degrees respectively. The data suggests the functional demands of a particular task influences the estimation accuracy of the MMC system where more dynamic motion and cases where subjects are not upright may introduce diminished tracking accuracy. DISCUSSION The following work lays the foundation for future implementations leveraging markerless motion capture to assess the time course of recovery and provide insight for rehabilitation protocols to enhance crew readiness for the resumption of daily activities. These tools offer effective methods for anonymizing sensitive crew data, facilitating numerous applications across research, medical, and rehabilitation groups. Collaborations with the Anthropometry and Biomechanics Facility will provide further comparisons of the Markerless system to a marker-based system. ACKNOWLEDGEMENT</ This work is supported by NASA’s Exploration Systems Development Mission Directorate Mars Campaign Office Crew Health Countermeasures.

Hannah M. Weiss↗
DOE OSTI2024

Electrolyte–Electrocatalyst Interfacial Effects of Polymeric Materials for Tandem CO 2 Capture and Conversion Elucidated Using In Situ Electrochemical AFM

Integrating CO 2 capture and electrochemical conversion has been proposed as a strategy to reduce the net energy required for CO 2 regeneration in traditional CO 2 capture and conversion schemes and can be coupled with carbon-free renewable electricity. Polyethylenimine (PEI)-based materials have been previously studied as CO 2 capture materials and can be integrated in these reactive capture processes. PEI-based electrolytes have been found to significantly increase the CO 2 loading, and impact selectivity and rate of product formation when compared to the conventional aqueous electrolytes. However, the influence of these materials at the catalyst–electrode interface is currently not well understood. In this study, PEI-based electrolytes were prepared and their impact on the morphology of a silver electrode performing electrochemical CO 2 reduction (CO 2 R) was studied using in situ electrochemical atomic force microscopy (EC-AFM). The presence of PEI on the electrode surface could be distinguished based on nanomechanical properties (DMT modulus), and changes were observed as negative polarization was applied, revealing a reorganization of the PEI chains due to electrostatic interactions. These changes were impacted by the electrolyte composition, including the addition of supporting electrolyte KHCO 3 salt, as well as CO 2 captured by the PEI-based electrolyte, which minimized the change in surface mechanical properties and degree of PEI alignment on the electrode surface. The changes in surface mechanical properties were also dependent on the PEI polymer length, with higher molecular weight PEI showing different reconfiguration than the shorter polymer brushes. The study highlights that the choice of polymer material, the electrolyte composition, and CO 2 captured impact the nearelectrode environment, which has implications for CO 2 R, and presents EC-AFM as a new tool that can be used to probe the dynamic behavior of these interfaces during electrocatalysis.

36 MATERIALS SCIENCE↗
DOE OSTI2026

NH 3 -Mediated Reactive Capture and Conversion: Integrating CO 2 Absorption from Flue Gas with CO Production via NH 4 HCO 3 Electrolysis

Efficient carbon capture and utilization require strategies that minimize energy penalties of CO 2 regeneration and compression. Reactive capture and conversion (RCC) address this challenge by integrating capture with direct electrochemical conversion. Here, we show an NH3-mediated tandem RCC system that couples capture of CO 2 from simulated flue gas (10% v/v CO 2 in N 2 ) with electroreduction of NH 4 HCO 3 to CO over a Ni single-atom catalyst (Ni-SAC). Speciation modeling and capture experiments revealed that a deep CO 2 capture with C/N ratio of 0.65 was achieved using 2.5 M NH 3 from simulated flue gas. Electrolysis of the resulting NH 4 HCO 3 on the Ni- SAC delivered an 85% CO Faradaic efficiency at 100 mA/cm 2 with excellent tolerance to NH 3 /NH 4 + as confirmed by DFT calculations and ab initio molecular dynamics (AIMD) simulations. Further, the technoeconomic analysis established a levelized total cost of CO manufacturing of $25.43/kmol, gauging the practical viability. Overall, this study holds great potential to decarbonize the chemical manufacturing industry while reducing synthetic production costs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Rotating cylinder electrode in reactive CO 2 capture: Identifying active C species via transport, VLE models and kinetics

Here, this article explores technical challenges and potential methodologies for understanding electrochemical Reactive CO 2 Capture (RCC) mechanisms. RCC offers potential energy cost advantages by directly converting captured CO 2 into fuels and chemicals, unlike traditional carbon capture and utilization (CCU) processes that require sequential capture, concentration, and compression. However, direct conversion of captured CO 2 introduces complexity due to additional equilibrium buffer reactions, making it challenging to identify active species for reduction in electrochemical studies. This article discusses methods to integrate transport, thermodynamics, and kinetics concepts to identify active carbon sources in RCC. Vapor‐Liquid Equilibrium (VLE) and transport models are validated against experimental results obtained in a gastight rotating cylinder electrode reactor and are shown as useful tools for studying RCC in heterogeneous electrocatalysts across different capture agents, solvents, and temperatures. This article establishes an experimental framework for advancing research in electrochemical RCC.

Electrocatalysis↗
DOE OSTI2026

In situ molecular imaging of ion clusters reveals the acid gas capture capacity and mechanism of water-lean ionic liquids

Water-lean solvents are a promising technology for capturing acid gases like carbon dioxide (CO 2 ). In situ liquid time-of-flight secondary ionization mass spectroscopy (ToF-SIMS) is used to study a representative solvent N-(2-ethoxyethyl)-3-morpholinopropan-1-amine (2-EEMPA) with different CO 2 loadings to reveal the complex solvent structure upon CO 2 capture. Characteristic peaks of 2-EEMPA, such as m/z – 215 C 11 H 23 N 2 O 2 – (deprotonated 2-EEMPA) and m/z + 217 C 11 H 25 N 2 O 2 + (protonated 2-EEMPA), are detected due to acid gas uptake. Also, solvent molecules and carboxylate ion pairs, such as m/z – 259 C 12 H 23 N 2 O 4 – [(deprotonated 2-EEMPA∙∙∙CO 2 )] and m/z + 261 C 12 H 25 N 2 O 4 + (protonated 2-EEMPA∙∙∙CO 2 ), are observed. Interestingly, more than one CO 2 molecule can be captured per each solvent molecule as evidenced in SIMS mass spectra, for example, m/z – 321 C 13 H 25 N 2 O 7 – [(deprotonated 2-EEMPA)∙∙∙2CO 2 ∙∙∙H 2 O], m/z + 305 C 13 H 25 N 2 O 4 + [(protonated 2-EEMPA)∙∙∙2CO 2 ], m/z – 389 C 17 H 29 N 2 O 8 – [(deprotonated 2-EEMPA)∙∙∙3CO 2 ∙∙∙3CH 2 ], and m/z + 373 C 16 H 25 N 2 O 8 + [(protonated 2-EEMPA)∙∙∙3CO 2 ∙∙∙2C]. However, the monomer of 2-EEMPA and CO 2 seems to be most prevalent. Furthermore, solvent clusters are detected in loaded solvents, for instance m/z + 433 C 22 H 49 N 4 O 4 + [(2-EEMPA)2∙∙∙H] and m/z + 646 [(2-EEMPA) 3 -2H], while capturing CO 2 at different amounts. Relative abundance of cluster ions provides a semi-qualitative venue to assess the free energies of gas capture energetics, indicating the relative stability trend within the same solvent system, previously impossible. These observed ion clusters are verified with molecular modeling, where dimer, trimer, and cluster ions are validated for their presence either due to weak molecular interactions or hydrogen bonds. In situ molecular imaging of ionic liquids and molecular modeling reveals that the acid gas capture mechanism by ionic liquids includes both physical adsorption and chemical bonding with multiple reaction pathways, engaging cluster formation and alteration of solvent structures.

Acid gas capture↗
DOE OSTI2026

A Six-Membered Concerted Mechanism for CO 2 Capture by Amines Studied under Charged Microdroplet Reaction Conditions

Carbon dioxide (CO 2 ) capture and storage represents an important technological challenge. A mechanistic understanding of interactions involved in the capture process is necessary not only for technological development but also for efficient conversion of captured CO 2 into value-added materials. Herein, we present a novel contained secondary electrospray ionization platform for studying the interactions of gaseous amines and CO 2 gas under microdroplet reaction conditions, which enables mass spectrometry (MS) characterization of CO 2 capture products and intermediates in real time. We detected [2 M + CO 2 + H] + species, which corresponds to a six-membered intermediate. DFT calculations confirmed the high stability of the protonated six-membered ring intermediate. This finding provides a plausible concerted mechanism in the microdroplet environment that excludes the involvement of thermodynamically disfavored ionic species. The carbamic acid counterpart of the final product/salt was readily characterized by tandem MS. The carbamic acid/amine salt was also isolated and characterized by Fourier transform infrared spectroscopy. By virtue of the fact that headspace vapors of amines are sampled, we were able to establish a high-throughput platform that enabled the CO 2 capture capacity of five different amines to be studied in under 2 min. The same device also enabled the absolute quantification of capture capacity.

Amines↗
DOE OSTI2025

Joint Theoretical and Experimental Study of the Electronic, Magnetic, and Lattice Phonon Dynamics Properties of Ca x Fe y O z Compounds Applied to CO 2 Capture

Unleashing energy innovation ensures a resilient and reliable energy supply. There is a critical need for the development of new carbon dioxide (CO 2 ) captors that have improved energy efficiency accompanied by lower capital and operational costs to ensure abundant, affordable, and secure energy. Among solid materials, CaO is a good CO 2 sorbent for capture technology due to its wide availability and low cost. However, CaO also suffers from some disadvantages, such as high calcination temperature, decreasing capability due to sintering, attrition, and reaction with SO x and NO x . In this study, we employed an ab initio thermodynamic approach and experimental measurements to improve its CO 2 capture performance during the cycles. To do so, we explored the electronic, magnetic, and lattice dynamic properties of a series of calcium ferrites (Ca x Fe y O z ) and applied them for CO 2 capture. Our results showed that all of them can thermodynamically react with CO 2 to form CaCO 3 and iron oxides. Compared to pure CaO capturing CO 2 , CaFe 3 O 4 , CaFe 2 O 4 , and Ca 2 Fe 2 O 5 could shift the CO 2 regeneration temperature to a lower range. The experimental measurements showed that CaFeO 2 is a good CO 2 captor with or without the presence of an O 2 presence. The calculated thermodynamic properties of Ca x Fe y O z capturing the CO 2 reactions can be used to find their operational temperature ranges for different CO 2 capture technologies.

CO2 capture↗