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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Optimizing Active Sites for High CO Selectivity during CO 2 Hydrogenation over Supported Nickel Catalysts

The undesired formation of CH 4 during the hydrogenation of CO 2 remains a great challenge with direct impact on selectivity towards CO or CH 3 OH. In this study, the selectivity of a supported Ni catalyst prepared by traditional impregnation method was found to change after a first CO 2 hydrogenation reaction cycle from 100 to 800 °C. The usually high CH 4 formation was suppressed leading to full selectivity towards CO. This behavior was also observed after the catalyst was treated under methane or propane atmospheres at elevated temperatures. In-situ spectroscopic studies revealed that the accumulation of carbon species on the catalyst surface at high temperature leads to a nickel carbide-like phase. The catalyst regains its high selectivity to CH 4 production after carbon depletion from the surface of the Ni particles by oxidation. However, the selectivity readily shifts back towards CO formation after a new temperature programmed CO 2 hydrogenation cycle. The fraction of weakly adsorbed CO species increases on the carbide-like surface when compared to a clean nickel surface, explaining the higher selectivity towards CO formation. This easy protocol of changing the surface of a common Ni catalyst to gain selectivity represents an important step for the commercial use of CO 2 hydrogenation to CO process together with Fischer-Tropsch applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

M-Star ® Software Test and Verification

Savannah River Mission Completion (SRMC) currently manages the risk for retained hydrogen in the Defense Waste Processing Facility (DWPF) vessels by implementing a Retained Hydrogen Program. The current program relies on Sludge Batch (SB) 8 Gas Chromatograph data and on conservative assumptions concerning gas release and retention to determine allowable vessel Quiescent time (Q-time). The authors identified M-Star ® CFD as a software that could simulate processes such as fluid flow, heat transfer, species transport, chemical reactions, particle transport, and retained hydrogen gas release. Preliminary simulation results suggest that more realistic assumptions on gas retention and release may be feasible for the DWPF retained hydrogen program. Because of the desire to use the M-Star ® software to perform analyses that support nuclear safety, SRMC has requested Savannah River National Laboratory (SRNL) to upgrade the software classification level of M-Star ® CFD from level D to level A to perform analyses that support nuclear safety.

08 HYDROGEN↗
DOE OSTI2020

Conversion of Loblolly pine biomass residues to bio-oil in a two-step process: Fast pyrolysis in the presence of zeolite and catalytic hydrogenation

In this work, Loblolly pine biomass residue was converted to bio-oil in a two-step process, consisting of 1) fast pyrolysis in the presence of zeolite ZSM-5 as a catalyst to produce pyrolysis oil, 2) hydrogenation of pyrolysis oil using formic acid as the hydrogen source in presence of Ru/activated carbon catalyst. Pyrolysis oils were analyzed by 13 C, 31 P and HSQC-NMR and the results revealed that the zeolite-induced catalytic fast pyrolysis process led to effective demethoxylation, producing more catechol and p-hydroxy-phenyl hydroxyl groups in the bio-oils, resulting in a decrease in the methoxyl group content by about 85 % and rich aromatic structures in the pyrolysis oils. The properties of pyrolysis oil with and without zeolite were in the bio-oil range. Hydrogenated pyrolysis oil showed that 79 % of the aromatic protons are eliminated and 87 % of protons are aliphatic in nature, with no oxygen attached to the α-carbon.

09 BIOMASS FUELS↗
NASA NTRS2010

Sabatier Reactor System Integration with Microwave Plasma Methane Pyrolysis Post-Processor for Closed-Loop Hydrogen Recovery

The Carbon Dioxide Reduction Assembly (CRA) designed and developed for the International Space Station (ISS) represents the state-of-the-art in carbon dioxide reduction (CDRe) technology. The CRA produces water and methane by reducing carbon dioxide with hydrogen via the Sabatier reaction. The water is recycled to the Oxygen Generation Assembly (OGA) and the methane is vented overboard resulting in a net loss of hydrogen. The proximity to earth and the relative ease of logistics resupply from earth allow for a semi-closed system on ISS. However, long-term manned space flight beyond low earth orbit (LEO) dictates a more thoroughly closed-loop system involving significantly higher recovery of hydrogen, and subsequent recovery of oxygen, to minimize costs associated with logistics resupply beyond LEO. The open-loop ISS system for CDRe can be made closed-loop for follow-on missions by further processing methane to recover hydrogen. For this purpose, a process technology has been developed that employs a microwave-generated plasma to reduce methane to hydrogen and acetylene resulting in 75% theoretical recovery of hydrogen. In 2009, a 1-man equivalent Plasma Pyrolysis Assembly (PPA) was delivered to the National Aeronautics and Space Administration (NASA) for technical evaluation. The PPA has been integrated with a Sabatier Development Unit (SDU). The integrated process configuration incorporates a sorbent bed to eliminate residual carbon dioxide and water vapor in the Sabatier methane product stream before it enters the PPA. This paper provides detailed information on the stand-alone and integrated performance of both the PPA and SDU. Additionally, the integrated test stand design and anticipated future work are discussed.

Abney, Morgan B.↗
DOE OSTI2023

Product selectivity and mass transport in levulinic acid transfer hydrogenation by monolithic MIL-100, MIL-88B and ZIF-8@Pd MOFs

The diffusion processes between adsorbent and adsorbate naturally play a significant role in the efficiency and selectivity of the heterogenous catalytic process. This paper considers the importance of diffusion processes in the transfer hydrogenation reaction of levulinic acid to γ-valerolactone by MIL-88B, MIL-100, and ZIF8@Pd monolithic catalysts. Over a period of five catalytic cycles, it was shown that the Fe-based catalysts can achieve similar conversions to the ZIF-8 supported Pd, with the only current limitation being the lower aqueous stability of these MOFs. Diffusion constants were calculated using the ZLC method, with micropore diffusion limitation found for ZIF-8 and MIL-100 monolithic frameworks at 2.7 x 10 -8 and 4.6 x 10 -8 cm 2 s -1 respectively. This diffusion limitation was also confirmed by IR spectroscopy with an increasing concentration of C—H bands on the MOF substrate post-reaction. Mass transfer coefficients, also calculated by ZLC, revealed increased mass transport for the hydrophobic ZIF-8 framework, which perhaps aids in the γ-valerolactone selectivity over side products that are produced in the absence of catalytic material, as seen for MIL-88B and MIL-100 after multiple uses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Development of Composite Photocatalyst Materials that are Highly Selective for Solar Hydrogen Production and their Evaluation in Z-Scheme Reactor Designs

The key technology gap preventing a vertically stacked dual-bed particle suspension reactor from achieving the DOE MYRD&D ultimate cost target for H 2 production remains the lack of materials in particle form factor that exhibit ≥10% solar-to-H 2 energy conversion (STH) efficiency as a suspension. Therefore, our project goals centered around strategies to increase the STH efficiency by enhancing photophysical properties of perovskite oxide particles including increased visible-light absorption, increased selectivity for electrocatalysis of the H 2 evolution reaction (HER) and the O 2 evolution reaction (OER) through development of ultrathin oxide coatings, correlating composition and structure to function, and improving understanding of multiscale transport and kinetic processes.

08 HYDROGEN↗
DOE OSTI2024

Moving toward automated µFTIR spectra matching for microplastic identification: addressing false identifications and improving accuracy

Abstract Infrared spectroscopy is a widely used tool for studying microplastics and identifying microparticles. Researchers rely on spectral libraries to differentiate between synthetic and natural materials. Unfortunately, spectral library matching is not perfect, and best practices require researchers to use time consuming, manual peak matching to assess spectral matches. Moving toward automated matching requires increased confidence in the matching process. Using spectra matching software may increase the efficiency of particle identification, however some matching strategies may confuse natural materials such as cotton, silk, and plant matter with common classes of synthetics such as polyesters and polyamides. In this experiment, we prepared 22 pristine sample materials from natural and synthetic sources and measured micro-Fourier transform infrared (µFTIR) spectra in transmission mode for each sample using a Thermo Nicolet iN10 MX instrument. The collected spectra were then input into two spectral library matching systems (Omnic Picta and Open Specy), using a total of five identification routines. Next, we placed a subset of four pristine microplastic materials in a biologically active river system for two weeks to simulate environmental samples. These simulated environmental samples were processed using 10% hydrogen peroxide for 24 h to remove organic contamination and then identified using the strongest performing library. We found that libraries with fewer sample spectra produced lower correlation matches and that using derivative correction greatly reduced the number of inaccuracies in identifying materials as either natural or synthetic. We also found that environmental fouling reduced the correlation value of library matches when compared to pristine particles, however the effect was not consistent across the four materials tested. Overall, we found that the accuracy of automated library matching in the tested systems and processing routines varied from 64.1 to 98.0% for distinguishing between natural and synthetic materials, and that a high Hit Quality Index (HQI) did not always correlate with accuracy. These results are important for the microplastic field, demonstrating a need to rigorously test spectral libraries and processing routines with known materials to ensure identification accuracy.

Kozloski, Rachel↗
DOE OSTI2025

Grid-Interactive Steelmaking with Hydrogen (GISH)

"Grid-Interactive Steelmaking with Hydrogen (GISH)," aims to advance the use of hydrogen in steelmaking processes in a flexible manner with natural gas based on renewable energy availability to reduce carbon emissions in steelmaking. The project is a collaboration involving multiple partners and spans from October 1, 2020, to January 31, 2025, with the report dated May 25, 2025.

03 NATURAL GAS↗
DOE OSTI2025

Advancements in the modification of TiFe alloys for enhanced hydrogen Storage: Strategies and future Directions

Hydrogen is considered a promising clean energy source, and a potential alternative to conventional fossil fuels. TiFe alloy has been particularly interesting due to its ability to reversibly absorb and desorb hydrogen at room temperature and low pressure. The initial hydrogen absorption stage of TiFe alloy requires activation under high-temperature and high-pressure conditions, which hinders its practical application. Here, this paper primarily examines the impact of elemental substitution methods on the hydrogen storage capabilities of TiFe alloys, with a particular emphasis on elucidating the mechanisms associated with various substituent elements. Commonly utilized elements, such as Mn, V, and Zr, significantly improve the activation performance of TiFe alloys. Additionally, the incorporation of elements such as Ni, Cr, Ce, and Y contributes to the modulation of phase composition, as well as the enhancement of activation and kinetic properties. However, there exists a notable deficiency in systematic investigations concerning alternative elements, coupled with a frequent oversight of the preparation process's influence on the hydrogen storage characteristics of these alloys. Consequently, the mechanisms by which different elements affect the hydrogen storage process in TiFe alloys remain inadequately understood among current research, thereby complicating the establishment of experiment-based design guidelines for TiFe alloys. Furthermore, the plasma treatment and high-entropy alloying present new approaches for optimizing the hydrogen storage properties of TiFe alloys. This paper aims to present novel research perspectives and insights to scholars in the field by introducing methods for the modification of TiFe alloys.

Hydrogen storage↗
NASA NTRS2024

Reliable and Efficient Electrochemical Recovery of O 2 from Metabolic CO 2 at the International Space Station (ISS)

Maximum O 2 recovery from metabolic carbon dioxide (CO 2 ) is desired for future long-duration missions beyond Low Earth Orbit (LEO). The O 2 recovery for the Environmental Control and Life Support System (ECLSS) at the International Space Station (ISS), presently limited to 50% (Sabatier), must be highly reliable and efficient and recover a minimum of 75% oxygen (O 2 ) from metabolic CO 2 . An alternative technology development effort currently underway at NASA Marshall Space Flight Center (MSFC) via a Microfluidic Electrochemical Reactor (MFECR) approach has the potential to increase O 2 recovery significantly and reduce the complexity of the ECLSS O 2 recovery at the ISS as it would replace three pieces, the CO 2 Reduction Assembly (CRA) (Sabatier reactor), the Oxygen Generation Assembly (OGA), and the Plasma Pyrolysis Assembly (PPA). The MFECR's electrochemical process generates ethylene (C 2 H 4 ) and carbon moxide (CO) instead of methane (CH 4 ) (Sabatier) as a byproduct, eliminating the need for further dehydrogenation through the PPA. As in the OGA, the MFECR's electrochemical process generates O 2 and hydrogen (H 2 ) from the water electrolysis process. MSFC and the University of Texas in Arlington (UTA) have jointly designed and fabricated an MFECR's single cell that operates at ambient conditions and utilizes a proprietary catalysis highly selective on reducing CO 2 to C 2 H 4 and CO at the cathode. This MFECR's single cell consists of gas diffusion layers at the cathode and anode for respective intake of CO 2 and output of O 2 from the catalytic layer. This approach is expected to substantially improve the ISS ECLSS sustainability and reduce power and weight requirements as the MFECR would replace three units currently installed in the ISS. In this paper, the authors discuss the outcome of preliminary tests, the current development, and the evaluation efforts on different alternatives for the cathode and the anode configurations, the setup of the MFECR at an engineering development unit (EDU) scale, and the O 2 recovery performance, and evaluation efforts on different alternatives on not only the configuration and setup of the MFECR at an Engineering Design Unit (EDU) scale but also the selection of component materials.

Jesus A Dominguez↗
NASA NTRSDate not supplied

Evaluating Lunar Water Processing System Model Configurations for Small Scale Oxygen and Hydrogen Production Within JAXA’s ISRU Technology Demonstration Plant

In-Situ Resource Utilization (ISRU) refers to novel methods of extracting and processing local resources for use in life support and propulsion systems, reducing or eliminating the required consumables to be transferred from Earth. Current estimates of water-ice availability embedded in regolith within the Moon’s permanently shadowed regions (PSR’s)range between 1-5% by weight. However, the composition and characteristics of the “wet” regolith is unknown. Alternate ISRU excavation techniques and Concept of Operations (ConOps) must be explored to optimize surface system operations based on these factors. To assess the feasibility of different ISRU subsystem technologies and compare system architecture configurations, an interchangeable system model was generated to incorporate technologies spanning excavation of raw materials to storage of products and determine optimal arrangement of total system processing needs. Total Mass, Volume, and Power (M/V/P) requirements were computed for 168 design iterations of this water processing plant.

ISRU↗
DOE OSTI2020

Hydrogen and Solid Carbon Products from Natural Gas: A Review of Process Requirements, Current Technologies, Market Analysis, and Preliminary Techno Economic Assessment

In this paper, we review relevant technologies—primarily thermochemical and plasma conversion processes—that use natural gas to produce solid carbon and hydrogen, and recent research progress and commercial activities. Technical challenges include the high energetic requirements necessary for methane activation and, for some catalytic processes, the separation of solid carbon product from the spent catalyst. We assess current and new carbon product markets that could be served given technological advances, and we discuss technical barriers and potential areas of research to address these needs. We provide preliminary economic analysis where it was concluded that the cost of pyrolytically produced CO2-free hydrogen can be potentially reduced to <$4/kg target levels with the co-production and sale of sufficiently high-value carbon products.

Dagle, Robert A.↗
NASA NTRS1999

Methane Pyrolysis and Disposing Off Resulting Carbon

Sabatier/Electrolysis (S/E) is a leading process for producing methane and oxygen for application to Mars ISPP. One significant problem with this process is that it produces an excess of methane for combustion with the amount of oxygen that is produced. Therefore, one must discard roughly half of the methane to obtain the proper stoichiometric methane/oxygen mixture for ascent from Mars. This is wasteful of hydrogen, which must be brought from Earth and is difficult to transport to Mars and store on Mars. To reduced the problem of transporting hydrogen to Mars, the S/E process can be augmented by another process which reduces overall hydrogen requirement. Three conceptual approaches for doing this are (1) recover hydrogen from the excess methane produced by the S/E process, (2) convert the methane to a higher hydrocarbon or other organic with a lower H/C ratio than methane, and (3) use a separate process (such as zirconia or reverse water gas shift reaction) to produce additional oxygen, thus utilizing all the methane produced by the Sabatier process. We report our results here on recovering hydrogen from the excess methane using pyrolysis of methane. Pyrolysis has the advantage that it produces almost pure hydrogen, and any unreacted methane can pass through the S/E process reactor. It has the disadvantage that disposing of the carbon produced by pyrolysis presents difficulties. Hydrogen may be obtained from methane by pyrolysis in the temperature range 10000-12000C. The main reaction products are hydrogen and carbon, though very small amounts of higher hydrocarbons, including aromatic hydrocarbons are formed. The conversion efficiency is about 95% at 12000C. One needs to distinguish between thermodynamic equilibrium conversion and conversion limited by kinetics in a finite reactor.

Sharma, P. K.↗
DOE OSTI2024

Understanding the interplay between pilot fuel mixing and auto-ignition chemistry in hydrogen-enriched environment

The diesel-piloted dual-fuel compression ignition combustion strategy is well-suited to accelerate the decarbonization of transportation by adopting hydrogen as a renewable energy carrier into the existing internal combustion engine with minimal engine modifications. Despite the simplicity of engine modification, many questions remain unanswered regarding the optimal pilot injection strategy for reliable ignition with minimum pilot fuel consumption. The present study uses a single-cylinder heavy-duty optical engine to explore the phenomenology and underlying mechanisms governing the pilot fuel ignition and the subsequent combustion of a premixed hydrogen-air charge. The engine is operated in a dual-fuel mode with hydrogen premixed into the engine intake charge with a direct pilot injection of n-heptane as a diesel pilot fuel surrogate. Optical diagnostics used to visualize in-cylinder combustion phenomena include high-speed IR imaging of the pilot fuel spray evolution as well as high-speed HCHO* and OH* chemiluminescence as indicators of low-temperature and high-temperature heat release, respectively. Three pilot injection strategies are compared to explore the effects of pilot fuel mass, injection pressure, and injection duration on the probability and repeatability of successful ignition. The thermodynamic and imaging data analysis supported by zero-dimensional chemical kinetics simulations revealed a complex interplay between the physical and chemical processes governing the pilot fuel ignition process in a hydrogen containing charge. Hydrogen strongly inhibits the ignition of pilot fuel mixtures and therefore requires longer injection duration to create zones with sufficiently high pilot fuel concentration for successful ignition. Results show that ignition typically tends to rely on stochastic pockets with high pilot fuel concentration, which results in poor repeatability of combustion and frequent misfiring. In conclusion, this work has improved the understanding on how the unique chemical properties of hydrogen pose a challenge for maximization of hydrogen’s energy share in hydrogen dual-fuel engines and highlights a potential mitigation pathway.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS2013

Bulk Insolation Models as Predictors for Locations for High Lunar Hydrogen Concentrations

In this study we consider the bulk effects of surface illumination on topography (insolation) and the possible thermodynamic effects on the Moon's hydrogen budget. Insolation is important as one of the dominant loss processes governing distributions of hydrogen volatiles on the Earth, Mars and most recently Mercury. We evaluated three types of high latitude > 65 deg., illumination models that were derived from the Lunar Observing Laser Altimetry (LOLA) digital elevation models (DEM)'s. These models reflect varying accounts of solar flux interactions with the Moon's near-surface. We correlate these models with orbital collimated epithermal neutron measurements made by the Lunar Exploration Neutron Detector (LEND). LEND's measurements derive the Moon's spatial distributions of hydrogen concentration. To perform this analysis we transformed the topographic model into an insolation model described by two variables as each pixels 1) slope and 2) slope angular orientation with respect to the pole. We then decomposed the illumination models and epithermal maps as a function of the insolation model and correlate the datasets.

Hydrogen Concentrations↗
NASA NTRS1999

Methane Pyrolysis and Disposing Off Resulting Carbon

Sabatier/Electrolysis (S/E) is a leading process for producing methane and oxygen for application to Mars ISPP. One significant problem with this process is that it produces an excess of methane for combustion with the amount of oxygen that is produced. Therefore, one must discard roughly half of the methane to obtain the proper stoichiometric methane/oxygen mixture for ascent from Mars. This is a waste of hydrogen, which must be brought from Earth and is difficult to transport to Mars and store on Mars. To reduce the problem of transporting hydrogen to Mars, the S/E process can be augmented by another process which reduces overall hydrogen requirement. Three conceptual approaches for doing this are (i) recover hydrogen from the excess methane produced by the S/E process, (ii) convert the methane to a higher hydrocarbon or other organic with a lower H/C ratio than methane, and (iii) use a separate process (such as zirconia or reverse water gas shift reaction) to produce additional oxygen, thus utilizing all the methane produced by the Sabatier process. We report our results here on recovering hydrogen from the excess methane using pyrolysis of methane. Pyrolysis has the advantage that it produces almost pure hydrogen, and any unreacted methane can pass through the S/E process reactor. It has the disadvantage that disposing of the carbon produced by pyrolysis presents difficulties. The goals of a research program on recovery of hydrogen from methane are (in descending priority order): 1) Study the kinetics of pyrolysis to arrive at a pyrolysis reactor design that produces high yields in a confined volume at the lowest possible operating temperature; 2) Study the kinetics of carbon burnoff to determine whether high yields can be obtained in a confined volume at acceptable operating temperatures; and 3) Investigate catalytic techniques for depositing carbon as a fine soot which can be physically separated from the reactor. In the JPL program, we have made significant measurements in regard to goal 1, cursory measurements in regard to goal 2, and would plan to pursue goal 3 if additional resources are secured.

Sharma, P. K.↗
NASA NTRSDate not supplied

Bosch Carbon Catalyst Regeneration in Water I: Bosch Carbon Removal from Reacted Beads Utilizing Mechanical Agitation

The ability to recover oxygen from metabolic carbon dioxide is crucial for crewed long duration missions in which the atmosphere must be recycled. Two physiochemical methods are primarily employed for this purpose: the Bosch process and the Sabatier reaction. This paper focuses on the Bosch process. It utilizes hydrogen in the presence of a catalyst to form water and solid carbon out of metabolic carbon dioxide. The solid carbon product deposits onto the catalyst and eventually causes reactor over pressurization issues. Multiple methods are currently being investigated to regenerate the catalyst’s surface and break up the pressure causing carbon clogs. This paper explores whether water and mechanical abrasion would work to remove Bosch carbon by testing multiple washing conditions. The different washing conditions involved agitation intensity, heating, duration, and volume of water. It was found that it is possible to break up the clumps of carbon formed in the reactor through agitation with room temperature water in one hour and shows promise for completely cleaning the carbon off the beads’ surface.

Agitation↗