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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Identifying mechanistic differences between co-fed CO 2 hydrogenation and reactive CO 2 capture using Ru and Pd dual function materials

Dual function materials (DFMs) enable reactive carbon capture (RCkeC), an intensified approach to carbon dioxide capture and utilization for cost and energy input reductions. Yet, there is a fundamental lack of understanding of mechanisms around CO 2 adsorption and subsequent conversion on these materials, hindering further development. Herein, we investigated several supported alkaline metal oxides for their CO 2 adsorption characteristics to find that Na/Al 2 O 3 had the highest CO 2 adsorption capacity, accompanied by a variety of CO 2 adsorption geometries as identified by in situ DRIFTS and computational modeling. The addition of catalytic metals (Ru, Pd) increased the adsorption capacity of Na/Al 2 O 3 without altering binding modes. In the subsequent reactive desorption step, acetate and formate intermediates were observed. Notably, this mechanistic investigation identified that the formation of acetate species was unique to RCC on a DFM, as these species were not observed in co-fed hydrogenation over the DFM or RCC over a Na-free catalyst.

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

In Silico Screening of CO 2 –Dipeptide Interactions for Bioinspired Carbon Capture

Carbon capture, sequestration and utilization offers a viable solution for reducing the total amount of atmospheric CO 2 concentrations. On an industrial scale, amine-based solvents are extensively employed for CO 2 capture through chemisorption. Nevertheless, this method is marked by the high cost associated with solvent regeneration, high vapor pressure, and the corrosive and toxic attributes of by-products, such as nitrosamines. An alternative approach is the biomimicry of sustainable materials that have strong affinity and selectivity for CO 2 . Bioinspired approaches, such as those based on naturally occurring amino acids, have been proposed for direct air capture methodologies. In this study, we present a database consisting of 960 dipeptide molecular structures, composed of the 20 naturally occurring amino acids. Furthermore, those structures were analyzed with a novel computational workflow presented in this work that considers certain interaction sites that determine CO 2 affinity. Density functional theory (DFT) and symmetry-adapted perturbation theory (SAPT) computations were performed for the calculation of CO 2 interaction energies, which allowed to limit our search space to 400 unique dipeptide structures. Using this computational workflow, we provide statistical insights into dipeptides and their affinity for CO 2 binding, as well as design principles that can further enhance CO 2 capture through cooperative binding.

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

Computational Modeling of CO2 Capture By Novel PIM-RU in a Fluidized Bed Riser

The interest in carbon capture, storage, and utilization (CCUS) has increased significantly in the past few decades as it can help mitigate the threat of global warming caused by substantial increase in CO2 emissions due to anthropogenic activities. Although several CO2 capture technologies have been developed, porous solid sorbents, which adsorb CO2 by physisorption, are considered promising candidates for post-combustion CO2 capture because of the easier recovery of adsorbed CO2 and high material stability. Some prominent types of porous solid sorbents are metal-organic frameworks (MOFs), Zeolite, mesoporous silica, and polymer-based sorbents (e.g., polymers with intrinsic microporosity or PIM). Oak Ridge National Laboratory (ORNL) recently developed a novel PIM-based sorbent, referred to here as PIM-RU. The main objective of this work is to investigate the CO2 capture performance of this sorbent using computational fluid dynamics (CFD). While process configuration and reactor design are open questions, a fluidized bed riser was selected as the contactor type for this study.

Aziz, Hossain↗
DOE OSTI2026

Optimizing Alabama’s CO 2 Storage in Shelby County (OASIS) (Final Report)

Optimizing Alabama’s CO 2 Storage in Shelby County (Project OASIS) is a CarbonSAFE Phase II designed to support the U.S. Department of Energy’s goals of reducing project risks and costs for future carbon dioxide (CO 2 ) capture, utilization, and storage (CCUS) projects, bringing more storage resources into commercial classifications that support business and financial decisions, and encouraging more rapid growth of a vibrant, geographically widespread industry for geologic carbon storage.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Evaluating CO 2 mitigation strategies in SAF biorefineries: Techno-economic and life cycle analysis

The aviation sector requires scalable decarbonization strategies, and lignocellulosic sustainable aviation fuel (SAF) represents a promising pathway. This study comparatively evaluates the techno-economic analysis and life cycle assessment (LCA) of three CO 2 management strategies integrated within a U.S.-based gasification–Fischer–Tropsch SAF biorefinery: (i) catalytic hydrogenation of captured CO 2 to methanol, (ii) geological CO 2 sequestration, and (iii) mineralization to sodium bicarbonate (NaHCO 3 ). Techno-economic analysis indicates that methanol synthesis requires approximately 26% higher capital investment and 33% higher operating costs than mineralization. Although methanol co-production generates the highest gross revenue, NaHCO 3 production reduces the SAF minimum selling price by approximately 38% relative to both methanol synthesis and geological sequestration pathways, reflecting a more balanced cost allocation through mineral co-product valorization. Geological sequestration lowers operating costs by nearly 50% compared with methanol synthesis but remains highly dependent on carbon credit mechanisms. LCA reveals substantial divergence in climate performance. Relative to methanol synthesis, sequestration improves net greenhouse gas performance by approximately 163%, transitioning the system from net-positive to net-negative emissions. Mineralization further enhances carbon mitigation, achieving roughly 85% greater carbon reduction than sequestration and over sixfold improvement relative to methanol synthesis within the defined system boundary. Sensitivity analysis identified hydrogen price, co-product market value, and process emissions as dominant drivers. Under baseline assumptions, CO 2 mineralization is found to offer the most balanced pathway.

Carbon capture and storage↗
DOE OSTI2026

The Potential and Cost of Carbon Dioxide Removal Using Direct Air Capture with Land-Based Wind and Utility-Scale Photovoltaics

The rapid deployment of direct air capture and storage (DACS) is critical for achieving emission targets, necessitating precise evaluation of the scale and cost of carbon dioxide removal. This study examines the availability of land, electricity generation, and geologic CO 2 storage within the United States, estimating a technical potential for low-temperature, adsorbent-based DACS to remove approximately 9 gigatonnes of CO 2 annually. By 2050, a substantial portion of this removal could be achieved at net-removed costs below $\$$300/tonneCO 2 , though costs are highly variable depending on factors such as facility scale, construction expenses, climate-dependent productivity and heating efficiency, and geologic storage conditions. In the short term, DACS deployment will help identify key research priorities for advancing technology and reducing removal costs. Concurrently, there is an urgent need for scientifically robust and standardized frameworks for monitoring, reporting, and verifying DACS performance across both established and emerging technologies and energy sources.

Carbon capture↗
NASA NTRS2015

Characterization of Carbon Particulates in the Exit Flow of a Plasma Pyrolysis Assembly (PPA) Reactor

The ISS presently recovers oxygen from crew respiration via a Carbon Dioxide Reduction Assembly (CRA) that utilizes the Sabatier chemical process to reduce captured carbon dioxide to methane (CH4) and water. In order to recover more of the hydrogen from the methane and increase oxygen recovery, NASA Marshall Space Flight Center (MSFC) is investigating a technology, plasma pyrolysis, to convert the methane to acetylene. The Plasma Pyrolysis Assembly (or PPA), achieves 90% or greater conversion efficiency, but a small amount of solid carbon particulates are generated as a side product and must be filtered before the acetylene is removed and the hydrogen-rich gas stream is recycled back to the CRA. In this work, we present the experimental results of an initial characterization of the carbon particulates in the PPA exit gas stream. We also present several potential options to remove these carbon particulates via carbon traps and filters to minimize resupply mass and required downtime for regeneration.

Methane pyrolysis↗
NASA NTRSDate not supplied

Kinetic Model Development of the Carbon Vapor Deposition Reactor to Predict Performance Versus Design

To enable complete closure of a Sabatier-based atmosphere revitalization system where oxygen recovery is predicated by carbon dioxide reduction to methane and water, there must be a means of recovering the hydrogen from the byproduct methane. Honeywell’s carbon vapor deposition (CVD) reactor is a potential technology that provides a thermochemical means by which methane decomposes at high temperatures (> 1,000 °C) into hydrogen, solid carbon, and a small percentage of hydrocarbons. This advanced methane pyrolysis reactor utilizes a carbon fiber substrate to capture and immobilize the solid pyrolytic carbon rather than allowing continuation toward undesirable soot. The CVD reactor is a highly dynamic system whose characteristic geometry changes while operating. The reactor model was developed to provide predictive performance assessment capabilities at different operating conditions, geometries, and configurations to aid in technology development. Modeling of the CVD reactor considered the multitude of simultaneous and interdependent physicochemical processes that are entailed, including: (1) the homogeneous gas-phase pyrolysis reactions, (2) the heterogeneous deposition reactions, and (3) the transport of gaseous species in the reactor domains. A 1-D CVD reactor model was developed based on a general packed-bed, axial-dispersion plug flow reactor model with a solid substrate balance to account for carbon deposition. The model includes 59 species and 243 reactions constituting the methane pyrolysis reaction network, carbon deposition, and interconversions of oxygenate species. The reactor model was compared to brassboard test data, where it was shown to be able to capture the pertinent physicochemical phenomena as evidenced by its agreement with short-duration run data (i.e., looking at different temperature and flow rate conditions), as well as trend agreement with the brassboard reactor’s long-duration test data. Recommendations are provided on further model development steps as well as its use cases.

Air Revitalization↗
DOE OSTI2024

Evaluation of Aliphatic Alcohols for CO 2 Capture Using the Characteristic Carbonate Frequency

Control over CO 2 capture and utilization are important scientific and technological challenges. Although a variety of amine absorbents are used for capture, releasing the captured CO 2 is often difficult and limits their recyclability. Therefore, it is crucial to control the strength of the CO 2 bond with the absorbent. Furthermore, it is desirable to use a method that can conveniently report the strength of this bond. This motivates exploring adducts of CO 2 with alcohols in the presence of a base, using vibrational spectroscopy to report on the bond strength. Although reactions of alcohols with CO 2 to form alkyl carbonates are known, a systematic study of these adducts has not been conducted. Here we show formation of alkyl carbonates by a series of alcohols spanning the pK a range 9.5 to 16.8. We show experimental and computational results for the frequency of the characteristic asymmetric stretch of the carbonate and demonstrate that it correlates inversely with the pK a of the alcohol. Based on computations of the bond lengths and previous work, we propose that this frequency also correlates inversely with the adduct strength. As a result, this work extends the scope of CO 2 capture reagents and inspires further research in tuning alcohols as reversible absorbents.

Alcohols↗
DOE OSTI2024

Utilizing 3D Mechanical Earth Models for Calibration and Validation in a Large-Scale Carbon Capture and Storage Project in North Dakota

Conference paper presented at 17th International Conference on Greenhouse Gas Control Technologies (GHGT-17), Calgary, Alberta, Canada, October 20–24, 2024. Three-dimensional (3D) mechanical earth models (MEMs) are pivotal in assessing geological sites for carbon dioxide (CO 2 ) storage and mitigating potential risks associated with storage and injection. The Energy & Environmental Research Center is exploring innovative carbon storage monitoring techniques at a CO 2 storage site near Beulah, North Dakota. These methods aim to provide lower-impact, faster feedback for commercial carbon capture and storage (CCS) projects. The research includes monitoring CO 2 injection using various approaches: 1) an automated, integrated modular monitoring station; 2) time-lapse electromagnetic (EM) field surveys; 3) drone-based surveillance; 4) time-lapse seismic techniques; and 5) advanced wellbore monitoring.

02 PETROLEUM↗
DOE OSTI2024

Impact of electrolyte solutions on carbon dioxide fixation in single chamber Al–CO 2 battery

Governments and research & development (R&D) organizations are actively initiating various programs and research strategies for CO 2 capture, its utilization, and integration with long duration energy storage from renewable sources worldwide. In line with the carbon capture goals, here we report a novel electrochemical Al-CO 2 battery cell, that can simultaneously capture CO 2 and convert it into value-added products, in addition to long-duration energy generation and storage. Here, this innovative approach employs cost-effective Al metal as an anode and an in-house synthesized Ni–Fe based bimetallic double hydroxide catalyst as the cathode, with meticulously optimized compositions and morphologies. We explore the impact of different aqueous electrolyte solutions compositions on the cell performance, demonstrating up to 10 h of stable long duration energy storage with a stable voltage profile. The cell exhibits low polarization even at high current densities of up to 12 mA cm -2 and maintains stable cycling over 500 h. Through Fourier-transform infrared spectroscopy (FTIR), Raman spectroscopy, X-ray Diffraction and X-ray photoelectron spectroscopy (XPS) analysis, we determined that the discharge product is either NaAlCO 3 (OH) 2 or KAlCO 3 (OH) 2 , distinct from the Al 2 (CO 3 ) 3 typically reported in conventional Al–CO 2 batteries.

25 ENERGY STORAGE↗
DOE OSTI2024

Demonstration of the carbon capture with building make-up air unit

Building-integrated carbon capture technology has the potential to reduce the cost of CO 2 capture while improving indoor air quality (IAQ). To promote the adoption of CO 2 capture in a building environment, this study investigated the possibility of integrating carbon capture technology with an existing rooftop make-up air unit (MAU) system to trap CO 2 . Here, in this study, a modular compact CO 2 capture system containing amine-functionalized polymer fibers was examined. The system, which was installed at the exhaust of the MAU, captures CO 2 before it leaves the building to enter the atmosphere as a greenhouse gas. The demonstrated average amount of CO 2 captured was 1.1–1.4 mmol/g of adsorbent material. Techno-economic analysis (TEA) was further performed on the CO 2 capture system, considering material costs, energy costs, as well as transportation and regeneration costs. These results were then used to estimate the levelized cost per ton CO 2 captured (LCOC). To achieve LCOC below $\$$100/t-CO 2 , adsorbents should have working capacities of 4.9 t and 3 t-CO 2 /year for 5 years and 10 years of operation, respectively. In summary, this study highlights a viable path toward the decarbonization of the commercial buildings sector and provides quantitative performance and economic insight on the suitability of building-integrated carbon capture technology.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRSDate not supplied

Design for an Integrated Open-Loop System for Carbon Dioxide Removal using Liquid Amine

Manned Space missions require maintaining a safe environment for the crew that can both sustain a breathable atmosphere and remove pollutants. Carbon dioxide, while not toxic in low concentrations, accumulates as crew members work and breath and can eventually affect the crew’s health. Therefore, a constant, passive system to remove the carbon dioxide build up is necessary for long-term missions. Currently, the prevailing liquid sorbent used in submarines and industrial flue gas utilizes the primary amine, monoethanolamine (MEA), to capture, transfer, and remove carbon dioxide from air. Diglycolamine (DGA) is an alternate primary amine that has similar performance and less volatility. It is currently being studied at Ames Research Center (ARC) and is the primary candidate for the operation of the sub-scale liquid amine test stand. The test stand is used to investigate liquid flow and liquid gas interfaces to assist in a system design for microgravity applications. The test stand includes a wedge design utilizes capillary action to hold the liquid while allowing gas-liquid interaction for carbon dioxide transfer. These wedge trays are placed in a contactor unit to remove carbon dioxide from the air stream, a degasser unit to replenish the liquid amine, and a capillary condensing heat exchanger (CCHX) to recapture water lost in the degasser unit. Nominal operating conditions for the contactor are a gas flow rate of 26scfm enriched with pure CO2 to 2600ppm and a liquid mixture of 65/35 vol% DGA/H2O at 0.65mL/min while the degasser was operated at 100°C and 1 atm. This paper discusses the challenges and limitations of a fully integrated system which will influence the design of a new subscale test stand.

Adrian Cortez↗
DOE OSTI2024

A high fidelity and user-friendly equation-oriented optimization model for carbon capture using a novel water-lean solvent

Research Triangle Institute (RTI) International and SLB have developed a novel water-lean solvent technology for carbon capture, demonstrating low specific reboiler duty (SRD) values at capture rates exceeding 90%. At the Technology Centre Mongstad (TCM) pilot plant, the technology achieved an SRD of 2.55 GJ/t-CO2 at 95% capture, utilizing an intercooler and a 5°C temperature approach in the lean/rich solvent cross exchanger. To meet varying carbon capture targets for Front End Engineering and Design (FEED) studies and to enable real-time optimization and advanced process control, an efficient optimization model is required. This model needs to minimize energy demand for a given capture rate and determine optimal operating parameters in response to fluctuating flue gas conditions. While an existing Aspen Plus simulation model, developed by RTI and SLB, accurately matches TCM plant data, its sequential modular (SM) strategy is too slow for real-time applications due to recycle streams and tight heat integration inherent in solvent-based carbon capture processes. Although an equation-oriented (EO) modeling strategy is more suitable for optimizing these processes, its adoption has been limited by several factors: feature limitations in Aspen Plus EO mode (e.g., lack of balance block support), a less user-friendly interface for variable identification and loop solving, complex troubleshooting of convergence issues, and the necessity for accurate initial values.

carbon capture↗
DOE OSTI2026

What Is the Best Use of Biomass? A Harmonized LCA-TEA Framework Quantifying Economic and Environmental Metrics for Bioenergy Pathways

Bioresource utilization is expected to play a pivotal role in complementing existing energy pathways and enhancing energy resilience. This study develops a harmonized life cycle assessment (LCA) and techno-economic analysis (TEA) framework to evaluate the greenhouse gas (GHG) reduction potential, minimum fuel selling price (MFSP), and marginal abatement cost (MAC) of bioenergy pathways. We analyze 19 pathways, including liquid biofuels (via catalytic fast pyrolysis, Fischer–Tropsch synthesis, and gasification), bioelectricity, and biomass-to-hydrogen, with and without carbon capture and storage (CCS). The GHG impacts are assessed using the GREET 2022 model, while U.S. Billion-Ton 2016 biomass availability projections are used to estimate scale-up potential. Additionally, we evaluate the influence of a low-carbon electricity grid on pathway performance. Our results show that CCS implementation reduces carbon intensities (CI) to net-negative values for several pathways, with MAC ranging from $\$$32 to $\$$600 per metric ton (MT) CO2e avoided. Bioelectricity pathways with CCS achieve the lowest MAC ($\$$32–$\$$68/tCO2e), while liquid biofuels and hydrogen pathways remain critical for hard-to-abate sectors like aviation and heavy industry. Pathways with net-positive electricity demand benefit from a low-carbon grid, whereas those co-producing electricity experience increased MAC under lower electricity grid CI scenarios. This open-source framework provides a robust tool for harmonized evaluation of bioenergy pathways, enabling policymakers and stakeholders to identify cost-effective strategies for biomass utilization and carbon abatement at scale. The findings underscore the importance of CCS, co-product credits, and feedstock availability in optimizing bioenergy deployment for a low-carbon economy.

09 BIOMASS FUELS↗