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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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42 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Theory of the photomolecular effect

It is well-known that water in liquid and vapor phases exhibits weak visible-light absorption. Recent experiments, however, show that at the liquid-air interface, absorption drastically increases, accelerating evaporation beyond thermal limits by 2–5 times. Strikingly, evaporation peaks at green wavelengths, despite no corresponding absorptance peak. The underlying mechanism of this observation, termed the photomolecular effect, remains puzzling, particularly as water molecules do not exhibit resonance peaks in the visible spectrum. Here, we present a theoretical model explaining the effect. We show that surface-bound water clusters undergo non-resonant photon-driven evaporation, with green light being particularly effective. Crucially, we do not expect green light to couple more strongly than other wavelengths to the molecules at the surface, rather the energy of green light is more effectively used to vaporize water. Our model accounts for why the evaporation peak does not align with absorptance and provides a quantum mechanical explanation of how a single photon can vaporize an entire molecular cluster. This model challenges conventional views on water-light interactions, revealing a fundamentally non-thermal evaporation mechanism. Furthermore, our findings have implications for water purification, energy-efficient drying, and climate modeling, opening new pathways for optimizing evaporation-based technologies.

Interfacial evaporation↗
DOE OSTI2021

FEED Study of Carbon Capture Inc. DAC and CarbonCure Utilization Using United States Steel's Gary Works Waste Plant

Direct Air Capture (DAC) has been proposed as a means of reducing atmospheric concentrations of CO2. While DAC has been evaluated through lab-scale, bench-scale, and small-scale pilot units, large-scale deployment has not been achieved. Feasibility studies are one tool to understand the potential design, operation, performance, and impact of commercial-scale DAC. This paper presents the results of a feasibility study for a passive DAC system deployed at >100,000 tpy scale in three different regions across the U.S. and awarded to Carbon Collect by the U.S. Department of Energy National Energy Technology Laboratory (DOE NETL). The MechanicalTree™technology has been designed and engineered by Carbon Collect based on the concept initially developed at Arizona State University Center for Negative Carbon Emissions. It uses a tower of stacked, sorbentcontaining disks supported by a lifting mechanism, exposed to the air to capture CO2 during the adsorption phase. The disks are then lowered into a regeneration chamber for vacuum and steam regeneration to produce CO2 product during the desorption step. The modular tree design allows large installations with repeatable, mass-manufactured units connected to common utilities such as steam supply, vacuum, and CO2 processing for compression and geologic storage. The passive DAC system eliminates the equipment and energy of forced air fans by using natural air circulation to contact the sorbent with the CO2 in the air. Because of this, the performance is dependent on the wind speed in addition to the temperature and relative humidity. Performance and flow rate fluctuations were incorporated into equipment and facility design with considerations for turndown to 10% of maximum rated flow to allow operation in all seasons. The feasibility study was undertaken to evaluate the technology in different regions and climates. Three locations were selected for this study representing different climates: Alabama (hot and humid), California (hot and arid), and Wyoming (continental). For each region, the adsorption/desorption cycle was optimized including tuning the heat integration and cycle timings. The performance of individual trees was then scaled to the full facility with the same design of more than 20,000 trees common between all regions. The installations had expected average CO2 capture rates of between 330,000 and 485,000 tonnes of CO2 per year depending on the climate. The initial engineering design for the facility at each location was performed with cost and performance estimates for the trees, carbon purification and compression, and the balance of plant. To supply thermal and electrical energy for the facility, carbon-free or low-carbon power must be considered. Options for low-carbon, continuous thermal and electrical energy were considered. The best-performing option from those considered was identified to be an electrically-heated molten salt energy storage system, powered by an on-site photovoltaic field. During molten salt thermal discharge, steam is produced from heat exchange with the molten salt and used to generate power in a steam turbine as well as steam for regenerating the DAC carbon trees. The thermal and electrical supply and analysis is presented in the context of low-carbon power for carbon removal. Modelling and economics of transportation and geologic storage of the CO2 is considered and presented for each location. The results of the feasibility study are incorporated into the presented techno-economic and life-cycle assessments. This work is intended to provide an understanding of the performance, cost, and impact of capturing CO2 at the commercial scale and the impact of climate and regional siting on the considered passive DAC system.

42 ENGINEERING↗
DOE OSTI2025

Determining the Ensemble N -Representability of Reduced Density Matrices

The N-representability problem for reduced density matrices remains a fundamental challenge in electronic structure theory. Following our previous work that employs a unitary-evolution algorithm based on an adaptive derivative-assembled pseudo-Trotter variational quantum algorithm to probe pure-state N-representability of reduced density matrices [J. Chem. Theory Comput. 2024, 20, 9968], in this work we propose a practical framework for determining the ensemble N-representability of a p-body matrix. This is accomplished using a purification strategy that embeds an ensemble state into a pure state defined on an extended Hilbert space, such that the reduced density matrices of the purified state reproduce those of the original ensemble. By iteratively applying variational unitaries to an initial purified state, the proposed algorithm minimizes the Hilbert-Schmidt distance between its p-body reduced density matrix and a specified target p-body matrix, which serves as a measure of the N-representability of the target. This methodology facilitates both error correction of defective ensemble reduced density matrices and quantum-state reconstruction on a quantum computer, offering a route for density-matrix refinement. We validate the algorithm with numerical simulations on systems of two, three, and four electrons in both simple models as well as molecular systems at finite temperature, demonstrating its robustness.

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

Comparative techno-economic analysis of synthetic renewable natural gas production via reactive CO 2 capture and conversion

Reactive CO 2 capture and conversion (RCC) is an emerging carbon management strategy that integrates CO 2 capture and conversion and avoids intermediate CO 2 purification. In this study, we design an RCC process to capture atmospheric CO 2 and react it with renewable hydrogen to produce synthetic renewable natural gas (SRNG), which serves as a carbon-neutral energy source and a chemical form of long-duration renewable energy storage. We assess the technological potential of RCC through process modeling, techno-economic, carbon footprint, and sensitivity analyses. Our findings demonstrate that RCC offers energy savings and comparable cost to separated capture and conversion processes. The cost is dominated by renewable hydrogen and material replacement cost. SRNG produced via RCC is competitive with existing low-carbon natural gas technologies and presents a promising low-cost option for long-duration energy storage. This work highlights the potential for deploying RCC technologies within a circular carbon economy and the scientific and technical challenges that must be overcome for material and technology developers.

03 NATURAL GAS↗
DOE OSTI2024

Carbon Capture from ArcelorMittal Hot Briquetted Iron Plant Using Air Liquide Cryocap™ FG Technology – FEED Study

The process of steel production is energy and carbon intensive with global average energy consumption of 5.5 MWh/tonne of steel and CO2 emission intensity of 1.83 tonne CO2/tonne of steel. The steel making process has inherent CO2 emissions from mineral conversion and is considered major contributors to the global carbon emissions. The steel industry is responsible for 8% of global carbon emissions. The main objective of this research project is to execute and complete a front-end engineering and design (FEED) study for a commercial-scale, carbon capture project that separates 95% of the total CO2 emissions at the ArcelorMittal’s Hot Briquetted Iron (HBI) plant in Portland, TX (Figure 1). The HBI is an ore-based metallic that is used as high-grade feedstock for high-quality steel via an Electric Arc Furnace (EAF) route. The HBI plant produces 2.0 million metric tonnes of high-quality HBI and emits approximately 1 million tonnes CO2/yr. The capture system is a Pressure Swing Adsorption (PSA) system assisted Cryocap™ FG technology (Figure 2). The captured CO2 will be pipeline grade and will be geologically stored in a facility within 10 miles of the CO2 source. The Host Site location in Corpus Christi, TX, is near hydrocarbon processing facilities and near Environmental Justice (EJ) and Qualified Opportunity Zone (QOZ) communities. Due to the location of the Host Site, the retrofit project offers the ability to demonstrate how a workforce focused on the fossil energy sector can be redirected to the clean- energy sector. The Air Liquide Cryocap™ capture technology is a proven technology and has been extensively examined for large industrial applications. It has been shown to be applicable to a variety of industrial applications including the steel industry. Cryocap™ FG (specific setup for Flue Gas application) consists of a Pressure Swing Adsorption (PSA) unit coupled with a Cryogenic System. The PSA pre-concentrates the CO2 from the flue gas, while the cryogenic unit enables the CO2 purity to be increased to the desired level. The scope of this study incorporates completing FEED study of the CO2 capture system which includes point-source CO2 capture and balance-of-plant; Business Case Analysis (BCA) outlining the current and projected volumes of the steel plant’s point sources of CO2 and the potential utilization of tax credits, including its projected revenue and duration; Life Cycle Analysis (LCA); Environmental Justice Analysis; Economic Revitalization and Job Creation Outcomes Analysis; and Workforce Readiness Plan. The plant design work was divided into two components: Inside Battery Limits (ISBL) and Outside Battery Limits (OSBL). The ISBL focuses on the capture system, while the OSBL focuses on the utility feeds and ducting from the plant to the capture system. Various design and engineering deliverables will be developed to define commodity quantities, equipment specifications, and labour effort required to execute the project. These FEED study deliverables will be prepared with the intent to develop an overall project capital cost estimate consistent with an AACE Class 3 estimate. The modular approach for the Cryocap™ FG that is being designed for this study integrates compression, PSA, and cryogenic “bricks” to achieve the desired CO2 capture rates. This carbon capture system integrates easily with the existing plant, thus reducing project costs and risks. It is also capable of managing impurities such as nitrogen oxides (NOx), sulfur oxides (SOx), mercury, hydrocarbons, and particulate matter. The capture system has a smaller footprint than amine-based systems. The two-step process uses PSA to preconcentrate the CO2 in the feedstream and then uses the cryogenic portion to purify and compress the resulting high purity CO2 product. This combination of purification and compression (i.e., process intensification) significantly reduces the CAPEX associated with use of a separate compressor commonly utilized for amine solvent-based systems. Successful completion of the FEED study will provide DOE with a detailed understanding of the costs for scaling up this proven capture technology for commercial applications at industrial facilities.

42 ENGINEERING↗
DOE OSTI2026

Detailed Method for the Purification of Rhamnogalacturonan-I (RG-I) in Arabidopsis thaliana

The plant cell wall is a dynamic and complex extracellular matrix that not only provides structural integrity and determines cell shape but also mediates intercellular communication. Among its major components, pectins play essential roles in cell adhesion, wall porosity, hydration, and flexibility. Rhamnogalacturonan-I (RG-I), a structurally diverse pectic polysaccharide, remains one of the least understood components of the plant cell wall. Its backbone is substituted with arabinan, galactan, and arabinogalactan side chains that vary in length, branching, and composition across tissues, species, and developmental stages. In addition, RG-I can undergo modifications such as backbone acetylation, further contributing to its structural complexity and functional diversity. To advance understanding of RG-I, we present a detailed method for isolating RG-I from the model plant Arabidopsis thaliana . Leveraging Arabidopsis as a model system provides major advantages owing to its well-characterized genome and powerful molecular toolkit, enabling deeper investigation into the roles of RG-I in plant development and responses to environmental stress. Our method consists of two major steps: an initial chemical extraction using oxalate, followed by endo-polygalacturonase (EPG) digestion to fragment the pectic domains. An advantage of this approach is that it produces a dry material that can be stored at room temperature without special handling and does not introduce chemicals that may interfere with downstream analyses. The purified RG-I can be used for detailed compositional and structural analyses, as well as for functional studies of enzymes involved in pectin biosynthesis, modification, and degradation. Although this protocol was developed for isolating RG-I from Arabidopsis rosette leaves, it is also applicable to other Arabidopsis organs and other plant species.

25 ENERGY STORAGE↗