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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Process description

The production of hydrogen from coal by hydrogasification and subsequent steam hydrocarbon reforming was studied. Process heat and power requirements are supplied by an HTGR. The process is examined as a function of a maximum reforming (process) temperature of 922 K (1200 F) to 1367 K (2000 F). The major parameters for the five cases selected are summarized in a table. A fixed thermal capacity of 3000 MW for the HTGR heat source was used as a basis. The resulting hydrogen production rates and the corresponding hydrogen purity are also given in a table.

Source record↗
DOE OSTI2025

Unraveling Hydrogen Induced Geochemical Reaction Mechanisms through Coupled Geochemical Modeling and Machine Learning

Underground hydrogen storage (UHS) provides a promising large-scale, long-term energy storage solution. A reasonable recovery of stored hydrogen is critical for a successful storage scheme. However, in subsurface reservoirs hydrogen is subject to active geochemical reactions that might result in hydrogen loss. In this study, we implemented a geochemical modeling approach coupled with an unsupervised machine learning technique called non-negative matrix factorization (NMF) to unravel the complex brine-rock-H 2 geochemical processes responsible for hydrogen losses, with particular focus on sulfate reduction reactions. NMF is applied to modeled mineral evolution and fluid component profiles to retrieve profiles that can be interpreted to more easily assess competing processes. NMF decouples simulated competing equilibrium reactions. This facilitates separation of overlapping reaction profiles from redox processes, dissolution fronts, and secondary precipitation while considering the effects of simulation parameters such as salinity, temperature, and total H 2 pressure. NMF successfully discriminates these competing effects in nonlinear ways, allowing robust interpretation. In addition, NMF reveals subtle coupled mineral associations and reaction fronts that are invisible to conventional model analysis. This integrated approach strengthens the conceptual understanding of complex nonlinear hydrogen-brine-rock interactions and advances geochemical research on UHS systems to resolve complexities in modeled geochemical systems without the need for direct experiments or prior knowledge. Furthermore, this study highlights the efficacy of combining geochemical modeling with machine learning techniques to enhance the interpretability of the intricate geochemical simulation output through deciphering the overlapping reaction path that cannot be achieved only using conventional analysis of geochemical models alone.

08 HYDROGEN↗
NASA NTRS1976

Process sensitivity studies of the Westinghouse sulfur cycle for hydrogen generation

The effect of variations of acid concentration, pressure, and temperature on the thermal process efficiency of the Westinghouse sulfur cycle was examined using the HYDRGN program. Modifications to the original program were made to duplicate the process flowsheet and take into account combined cycle heat-to-work efficiencies for electrochemical work requirements, aqueous solutions, and heat-of-mixing effects. A total of 125 process variations were considered (acid concentration: 50-90 w/o; pressure: 15-750 psia; temperature: 922K - 1366K). The methods of analysis, results, and conclusions are presented.

Carty, R. H.↗
NASA NTRS1976

Process sensitivity studies of the Westinghouse Sulfur Cycle for hydrogen generation

The effect of variations of acid concentration, pressure, and temperature on the thermal process efficiency of the Westinghouse Sulfur Cycle was examined using the University of Kentucky's HYDRGN program. Modifications to the original program were made to duplicate the process flow sheet and take into account combined-cycle heat-to-work efficiencies for electrochemical work requirements, aqueous solutions, and heat-of-mixing effects. A total of 125 process variations were considered (acid concentration: 50-90 w/o; pressure: 15-750 psia; temperature: 922-1366 K (2000 F)). The methods of analysis, results, and conclusions are presented.

Carty, R.↗
DOE OSTI2025

Hydrogen isotope fractionation – Fundamental insights leaving to process scaleup

This final report summarizes the PhD research of Dr. Mayura Silva who was supported on the project from inception in August 2021 to his graduation in December 2023. Dr. Silva undertook a detailed examination of the eGicacy of graphene interlayers on H/D selectivity in electrochemical proton / deuteron pump cells. His work focused on the role of impurity cations (especially NH 4 * and Cu 2+ which are resident in membranes as a residual from the ammonium persulfate treatment used to remove copper backing from the graphene during membrane preparation), and on the composition of evolved gases from hydrogen / deuterium pump cells that were fed a 50:50 mixture of H 2 and D 2 gas. The key finding is that previous reports of very high H/D selectivity in hydrogen pump cells having Nafion | graphene | Nafion membranes installed were not reproduced.

08 HYDROGEN↗
DOE OSTI2022

Hydrogen Storage Performance of Preferentially Oriented Mg/rGO Hybrids

Chemical interactions on the surface of a functional nanoparticle are closely related to its crystal facets, which can regulate the corresponding energy storage properties like hydrogen absorption. In this study, we reported a one-step growth of magnesium (Mg) particles with both close- and nonclose-packed facets, that is, {0001} and {$2\overline{116}$} planes, on atomically thin reduced graphene oxide (rGO). The detailed microstructures of Mg/rGO hybrids were revealed by X-ray diffraction, selected-area electron diffraction, high-resolution transmission electron microscopy, and fast Fourier transform analysis. Hydrogen storage performance of Mg/rGO hybrids with different orientations varies: Mg with preferential high-index {$2\overline{116}$} crystal surface shows remarkably increased hydrogen absorption up to 6.2 wt % compared with the system exposing no preferentially oriented crystal surfaces showing inferior performance of 5.1 wt % within the first 2 h. First-principles calculations revealed improved hydrogen sorption properties on the {$2\overline{116}$} surface with a lower hydrogen dissociation energy barrier and higher stability of hydrogen atoms than those on the {0001} basal plane, supporting the hydrogen uptake experiment. In addition, the hydrogen penetration energy barrier is found to be much lower than that of {0001} because of low surface atom packing density, which might be the most critical process to the hydrogenation kinetics. Here, the experimental and calculation results present a new handle for regulating the hydrogen storage of metal hydrides by controlled Mg facets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Highly Selective Acetylene Semihydrogenation Catalyst with an Operation Window Exceeding 150 °C

The operating window (OW) is a primary performance criterion for the selective hydrogenation of acetylene in excess ethylene. Currently, most state-of-the-art catalyst systems have an OW of less than 50 °C in front-end processes. Selective acetylene hydrogenation catalysts with an OW wider than 100 °C are rare. Here, we demonstrate a facile stepwise chemical method to synthesize calcite-supported PdBi intermetallic compounds (PdBi/Calcite) that feature isolated and electron-rich Pd atoms as active sites for acetylene hydrogenation. Beneficial from the extremely weak ethylene absorption abilities and the stable structures against the formation of β-PdH x , PdBi/Calcite exhibit >99% selectivity to C 2 H 4 in the whole temperature range tested (50–300 °C) and ~100% C 2 H 2 conversion from 150 to 300 °C. Finally, as a result, an operation window exceeding 150 °C has been achieved.

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

Integration of IH 2 ® with Cool Reformer for the Conversion of Cellulosic Biomass to Drop In Fuels

GTI Energy has integrated the Cool Reformer technology with the IH 2® -50 pilot plant (which can process a maximum of 50kg/day of biomass feed) to demonstrate the suitability of this new reforming technology for producing hydrogen within IH 2 ® process. As part of this study, we showed that all of the hydrogen required for the IH 2® process could be produced from steam reforming the IH 2® light gas generated within the process and the system can be integrated in a cost-effective way compared to the use of standard SMRs.

08 HYDROGEN↗
DOE OSTI2023

Multivariate Flexible Framework with High Usable Hydrogen Capacity in a Reduced Pressure Swing Process

Step-shaped adsorption-desorption of gaseous payloads by flexible metal-organic frameworks can facilitate the delivery of large usable capacities with significantly reduced energetic penalties. This is desirable for the storage, transport, and delivery of H 2 , as prototypical adsorbents require large swings in pressure and temperature to achieve usable capacities approaching their total capacities. However, the weak physisorption of H 2 typically necessitates undesirably high pressures to induce the framework phase change. As de novo design of flexible frameworks is exceedingly challenging, the ability to intuitively adapt known frameworks is required. We demonstrate that the multivariate linker approach is a powerful tool for tuning the phase change behavior of flexible frameworks. In this work, 2-methyl-5,6-difluorobenzimidazolate was solvothermally incorporated into the known framework CdIF-13 (sod-Cd(benzimidazolate) 2 ), resulting in the multivariate framework sod-Cd(benzimidazolate) 1.87 (2-methyl-5,6-difluorobenzimidazolate) 0.13 (ratio = 14:1), which exhibited a considerably reduced stepped adsorption threshold pressure while maintaining the desirable adsorption-desorption profile and capacity of CdIF-13. At 77 K, the multivariate framework exhibits stepped H 2 adsorption with saturation below 50 bar and minimal desorption hysteresis at 5 bar. At 87 K, saturation of step-shaped adsorption occurs by 90 bar, with hysteresis closing at 30 bar. These adsorption-desorption profiles enable usable capacities in a mild pressure swing process above 1 mass %, representing 85-92% of the total capacities. Here this work demonstrates that the desirable performance of flexible frameworks can be readily adapted through the multivariate approach to enable efficient storage and delivery of weakly physisorbing species.

08 HYDROGEN↗
NASA NTRS1981

Coal desulfurization by low temperature chlorinolysis, phase 3

Laboratory scale, bench scale batch reactor, and minipilot plant tests were conducted on 22 bituminous, subbituminous, and lignite coals. Chemical pretreatment and post treatment of coals relative to the chlorination were tried as a means of enhancing desulfurization by the chlorinolysis process. Elevated temperature (500-700 C) hydrogen treatment of chlorinolysis-processed coal at atmospheric pressure was found to substantially increase coal desulfurization up to 90 percent. Sulfur forms, proximate and ultimate analyses of the processed coal are included. Minipilot plant operation indicates that the continuous flow reactor provides coal desulfurization results comparable to those obtained in the batch reactor. Seven runs were conducted at coal feed rates of 1.5 to 8.8 kg per hour using water and methylchloroform solvents, gaseous chlorine feed of 3 to 31.4 SCFH at 21 to 70 C, and atmospheric pressure for retention times of 20 to 120 minutes.

Kalvinskas, J. J.↗
DOE OSTI2020

Impacts of High Variable Renewable Energy Futures on Electric-Sector Decision Making: Demand-Side Effects

Previous work by the Berkeley Lab describes how high shares of variable renewable energy (VRE) such as wind and solar power could change wholesale electricity price dynamics. These include the timing of when electricity is cheap or expensive, locational differences in the cost of electricity, and the degree of regularity or predictability in those costs. Many decentralized decision-makers on the demand-side may not yet have considered the implications of these possible future changes. In this report, we evaluate the sensitivity of a set of demand-side decisions to different levels of VRE penetration ranging from a low of 5-20% to a high of 40-50%. The analysis builds on hourly wholesale energy and capacity prices in different VRE scenarios for four wholesale markets in the United States for the year 2030 (CAISO, ERCOT, NYISO, and SPP). The principal question for this exploration is whether private and public electric-sector decisions that are made based on assumptions reflecting low VRE levels still achieve their intended objective in a high VRE scenario with 40-50% wind and solar? This scoping report evaluates the impacts of changing patterns of peak system needs on the benefits of demand reductions by examining the altered value of different energy efficiency (EE) measures. Similarly, we investigate new opportunities for large energy consumers that may arise from periods with very low wholesale electricity prices. We calculate the value of new process investments (e.g., hydrogen production and other generalized electro-commodities), showcase the varying value of new product storage investments (such as reservoir extensions at a desalination plant), and estimate the benefits of increased process flexibility that uses electricity as a process-input in addition to traditional fossil fuels (e.g., district energy systems). Finally, many decentralized decision-makers and end-use customers are not directly exposed to wholesale electricity prices but instead receive price signals from their retail electricity rates. As wind and solar shares increase, we compare the economic efficiency of flat retail rates relative to more dynamic time-of-use tariffs with and without critical peak-pricing events.

14 SOLAR ENERGY↗
NASA NTRS2006

Processing Raman Spectra of High-Pressure Hydrogen Flames

The Raman Code automates the analysis of laser-Raman-spectroscopy data for diagnosis of combustion at high pressure. On the basis of the theory of molecular spectroscopy, the software calculates the rovibrational and pure rotational Raman spectra of H2, O2, N2, and H2O in hydrogen/air flames at given temperatures and pressures. Given a set of Raman spectral data from measurements on a given flame and results from the aforementioned calculations, the software calculates the thermodynamic temperature and number densities of the aforementioned species. The software accounts for collisional spectral-line-broadening effects at pressures up to 60 bar (6 MPa). The line-broadening effects increase with pressure and thereby complicate the analysis. The software also corrects for spectral interference ("cross-talk") among the various chemical species. In the absence of such correction, the cross-talk is a significant source of error in temperatures and number densities. This is the first known comprehensive computer code that, when used in conjunction with a spectral calibration database, can process Raman-scattering spectral data from high-pressure hydrogen/air flames to obtain temperatures accurate to within 10 K and chemical-species number densities accurate to within 2 percent.

Nguyen, Quang-Viet↗
NASA NTRS2011

Meteorites, Organics and Fischer-Tropsch Type Reaction: Production and Destruction

There has been an ongoing debate about the relative importance about the various chemical reactions that fonned organics in the early solar system. One proposed method that has long been recognized as a potential source of organics is Fischer-Tropsch type (FTT) synthesis. This process is commonly used in industry to produce fuels (i.e., complex hydrocarbons) by catalytic hydrogenation of carbon monoxide. Hill and Nuth were the first to publish results of FTT experiments that also included Haber-Bosch (HB) processes (hydrogenation of nitrogen. Their findings included the production of nitrilebearing compounds as well as trace amounts of methyl amine. Previous experience with these reactions revealed that the organic coating deposited on the grains is also an efficient catalyst and that the coating is composed of insoluble organic matter (10M) and could be reminiscent of the organic matrix found in some meteorites. This current set of FTT-styled experiments tracks the evolution of a set of organics, amino acids, in detail.

Johnson, Natasha M.↗
DOE OSTI2025

Hydrogen Materials Advanced Research Consortium (HyMARC): Sandia Technical Effort

A trilateral agreement has been finalized involving research institutions in Korea, Japan, and the U.S. The project partners are Sandia, LLNL, KIST, KAIST, and AIST. The project title is “Structure-Property Relationships in Metal Alloys for Hydrogen Storage and Processing.” Funding for the U.S. portion of the effort is through NNSA; the PI is Vitalie Stavila. The overall objective of this project is to identify detailed structure-property relationships governing hydrogen separation, purification, storage, and compression in compositionally complex metal alloys.

08 HYDROGEN↗
NASA NTRS1991

Thermal modeling of nickel-hydrogen battery cells operating under transient orbital conditions

An analytical study of the thermal operating characteristics of nickel-hydrogen battery cells is presented. Combined finite-element and finite-difference techniques are employed to arrive at a computationally efficient composite thermal model representing a series-cell arrangement operating in conjunction with a radiately coupled baseplate and coldplate thermal bus. An aggressive, low-mass design approach indicates that thermal considerations can and should direct the design of the thermal bus arrangement. Special consideration is given to the potential for mixed conductive and convective processes across the hydrogen gap. Results of a compressible flow model are presented and indicate the transfer process is suitably represented by molecular conduction. A high-fidelity thermal model of the cell stack (and related components) indicates the presence of axial and radial temperature gradients. A detailed model of the thermal bus reveals the thermal interaction of individual cells and is imperative for assessing the intercell temperature gradients.

Schrage, Dean S.↗
NASA NTRS2012

Performance Evaluation of Staged Bosch Process for CO2 Reduction to Produce Life Support Consumables

Utilizing carbon dioxide to produce water and hence oxygen is critical for sustained manned missions in space, and to support both NASA's cabin Atmosphere Revitalization System (ARS) and In-Situ Resource Utilization (ISRU) concepts. For long term missions beyond low Earth orbit, where resupply is significantly more difficult and costly, open loop ARS, like Sabatier, consume inputs such as hydrogen. The Bosch process, on the other hand, has the potential to achieve complete loop closure and is hence a preferred choice. However, current single stage Bosch reactor designs suffer from a large recycle penalty due to slow reaction rates and the inherent limitation in approaching thermodynamic equilibrium. Developmental efforts are seeking to improve upon the efficiency (hence reducing the recycle penalty) of current single stage Bosch reactors which employ traditional steel wool catalysts. Precision Combustion, Inc. (PCI), with support from NASA, has investigated the potential for utilizing catalysts supported over short-contact time Microlith substrates for the Bosch reaction to achieve faster reaction rates, higher conversions, and a reduced recycle flows. Proof-of-concept testing was accomplished for a staged Bosch process by splitting the chemistry in two separate reactors, first being the reverse water-gas-shift (RWGS) and the second being the carbon formation reactor (CFR) via hydrogenation and/or Boudouard. This paper presents the results from this feasibility study at various operating conditions. Additionally, results from two 70 hour durability tests for the RWGS reactor are discussed.

Vilekar, Saurabh A.↗
NASA NTRS1993

High specific energy, high capacity nickel-hydrogen cell design

A 3.5 inch rabbit-ear-terminal nickel-hydrogen cell has been designed and tested to deliver high capacity at a C/1.5 discharge rate. Its specific energy yield of 60.6 wh/kg is believed to be the highest yet achieved in a slurry-process nickel-hydrogen cell, and its 10 C capacity of 113.9 AH the highest capacity yet made at a discharge rate this high in the 3.5 inch diameter size. The cell also demonstrated a pulse capability of 180 amps for 20 seconds. Specific cell parameters, performance, and future test plans are described.

Wheeler, James R.↗