Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Hydrogen Production”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Comparative life cycle assessment of various hydrogen pathways for cleaner methanol synthesis

This study evaluates the potential environmental impacts of e-methanol production using hydrogen from green, yellow, and blue sources, including Gas Switching Reforming for high purity hydrogen production with carbon capture (GSR-H 2 ), and compares their performance across current and renewable energy scenarios. Using a cradle-to-gate life cycle assessment (LCA), the study quantifies impacts across seven TRACI categories. Global warming potential (GWP) ranged from 0.28 kg CO 2 eq/kg MeOH for green hydrogen with renewables to 2.55 kg CO 2 eq/kg MeOH for SMR-CC under grid power. Among the scenarios, renewable electrolysis achieves the lowest GWP, while GSR-H 2 under renewable power offered the best balance of emissions reductions and resource efficiency among the fossil-based routes, offering a viable transitional solution in regions dependent on natural gas infrastructure. The study reveals GSR-H 2 's potential as an alternative to conventional steam methane reforming with carbon capture (SMR-CC), showing its advantages in carbon capture efficiency and reduced life cycle emissions as well as significantly lower water consumption. GSR-H 2 , when powered by renewables, consumed only 1.41 L of water per kg MeOH, an 82% reduction compared to grid-powered electrolysis, highlighting its potential in water-scarce regions. This study is the first to evaluate GSR-H 2 as a hydrogen source for e-methanol, providing new evidence for its role as a cleaner, scalable transitional solution aligned with cleaner production principles.

08 HYDROGEN↗
DOE OSTI2025

Geologic hydrogen: a review of resource potential, subsurface dynamics, exploration, production, transportation, and research opportunities

Hydrogen is a versatile resource with critical roles in decarbonization, industrial manufacturing, and energy integration. However, most hydrogen today is produced from fossil fuels, resulting in high emissions and energy consumption. Although low-carbon hydrogen production methods, such as steam methane reforming with carbon capture and renewable-powered electrolysis, are advancing, their high costs hinder large-scale deployment. Identifying alternative pathways for producing low-cost, low-emission hydrogen is therefore essential. Geologic hydrogen, referring to natural and stimulated hydrogen generated in the Earth's subsurface, has attracted growing attention as a potential source of sustainable, economically viable, and environmentally favorable hydrogen. This paper provides a comprehensive review of geologic hydrogen, covering its resource potential, origins, migration and trapping mechanisms, exploration techniques, production strategies, and pipeline transportation. It also identifies key knowledge gaps and proposes a roadmap for future research. The review indicates that geologic hydrogen has vast resource potential and can leverage existing subsurface technologies and geophysical exploration methods. However, major challenges persist, including uncertain hydrogen generation rates, limited understanding and control of serpentinization processes, costly transportation infrastructure, the lack of validated techno-economic analysis, and potential social and environmental issues. As the field is still in its early stages, progress will require interdisciplinary collaboration spanning geoscience, engineering, economics, environmental science, and policy and regulation.

42 ENGINEERING↗
DOE OSTI2023

Methane and methane-carbon dioxide activated synergystic biomass gasification for hydrogen rich syngas production

In one aspect, the disclosure relates to methods for biomass gasification to produce sustainable and renewable alternatives to fossil fuels including, but not limited to syngas having a high H2 content. The method can produce an H2/CO ratio close to 2:1, which is desirable for further chemical or transportation fuel synthesis. In another aspect, the methods disclosed herein have high yields and make use of agricultural and industrial waste (e.g., hardwood pellets and grain stovers) as starting materials. In a further aspect, the methods disclosed herein can produce useful byproducts including, but not limited to, carbon nanofibers (CNF). This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present disclosure.

Hu, Jianli↗
DOE OSTI2025

REDOTHERM: a thermodynamic modeling framework for redox-based thermochemical processes

Two-step thermochemical redox cycles are being developed as a potential pathway for the production of hydrogen and syngas. While there are many possible reactor and system configurations, moving oxide systems are considered promising in terms of the redox thermodynamics, due to the potential implementation of a countercurrent system that can achieve higher performance compared to other configurations. There is a lack of a robust thermodynamic modeling framework in the field, with multiple models incorporating incorrect thermodynamic assumptions that violate the second law of thermodynamics. We present in this work REDOTHERM, an open-source system model for moving oxides that incorporates the correct thermodynamic limits, as well as various options for the system auxiliary units including product separation, heat recovery, and oxygen removal. The model is agnostic to the energy source, and could be used for solar thermal or other configurations. We highlight the uses of this model, presenting some of the tradeoffs and challenges in redox-active material selection and how they affect the entire thermochemical hydrogen production process. This model could be easily adapted and used for material exploration, system/reactor design, and technoeconomic analysis.

08 HYDROGEN↗
DOE OSTI2025

Cybersecurity Considerations for Hydrogen Infrastructure in Airport Environments

This report explores key cybersecurity concerns and best practices within environments that serve as reference points for the development of hydrogen fueling infrastructure for aviation. This cybersecurity analysis leverages prior NREL studies: 1) hydrogen fueling station component validation to identify vulnerabilities and failure events documented in physical equipment, and 2) electric aircraft charging infrastructure analysis to explore primary cybersecurity vulnerabilities. It reviews the criticality of digitized technologies in sustaining hydrogen fuel production, storage, and fueling systems, noting cybersecurity concerns that are universal to power systems and industrial control systems in general. In considering cybersecurity vulnerabilities within a future landscape of hydrogen energy for aviation applications, a reference architecture was intended to reveal the points of connection between assets and the potential sensors that are vulnerable to manipulation in the event of compromised access or communication within a SCADA system. A generalized reference architecture can help stakeholders, engineers, or strategists understand connections, criticalities, and standard practices when it comes to designing and planning for new systems. There are several gaps to account for in assessing the future of hydrogen production, storage, and fueling for aviation. Engaging stakeholders, including aircraft manufacturers, electric utilities, site property owners, and local communities, will inform decision-making around site structure, operations, and resources for future hydrogen fueling infrastructure to understand operational needs and cybersecurity awareness. Cybersecurity mitigation strategy must consider physical attack vectors that emerge with the integration of hydrogen systems into existing airport security requirements. The cybersecurity risk assessment contained in this report is an entry point into potential future granular-level analyses to be conducted as part of hazard and risk assessments for safe aviation hydrogen infrastructure, determining how the scale of hydrogen fuel infrastructure for aviation impacts the volume of cyber attack vectors, and what, if any, are the vulnerabilities associated with different types of on-board hydrogen systems. In this nascent development phase, assessing how best to integrate cybersecurity practices into an evolving U.S. aviation landscape provides critical insights into building increased awareness and stakeholder engagement to support a cyber-resilient infrastructure.

08 HYDROGEN↗
DOE OSTI2022

The Modeling of the Synfuel Production Process: Process models of Fischer-Tropsch production with electricity and hydrogen provided by various scales of nuclear plants

Synthetic fuels (synfuels), also known as electro-fuels (E-fuels), are hydrocarbon fuels produced from waste CO2 streams and water electrolysis, with electricity as the primary source of energy. To achieve substantial reductions in greenhouse gas (GHG) emissions, electricity sources must release zero carbon or near-zero carbon, as is the case with solar, wind, hydro, and nuclear power. Nuclear power is one of the largest and steadiest domestic sources of clean energy in the United States. Moreover, nuclear power has the potential to produce hydrogen economically for less than $2/kg, reaching the DOE near-term target price. Thus, using nuclear power to produce synfuels has the unique potential to significantly reduce the GHG emissions of hydrocarbon fuels production and end-use applications. Fisher-Tropsch or FT fuel (a mixture of naphtha, jet fuel, and diesel) is of great interest because it is a drop-in fuel that can be blended with conventional petroleum counterparts and is compatible with existing infrastructure. By using the ASPEN Plus model, this report develops FT fuel production models on three scales, corresponding to nuclear plants with capacities of 1000 MWe, 437 Mwe, and 100 MWe, respectively. The FT model case with energy from a 437-MWe nuclear plant is used as a baseline case. This report summarizes the baseline ASPEN Plus model results with a detailed mass and energy analysis. Our modeled facility produces 507 MT/day (185,000 gal/day) of FT fuel by converting 255 MT/day of hydrogen and 1,580 MT/day of CO2. The FT fuel production energy efficiency from hydrogen and electricity energy inputs is 70% (lowerheating-value or LHV-based). Including the high-temperature electrolyzer in the system boundary, the FT fuel production LHV efficiency from electricity and thermal energy inputs is 51%, considering 39.8 kWh/kg of electricity and 6.86 kWh/kg of thermal energy use from a nuclear plant for hydrogen production. The FT production efficiency can potentially be increased by further integrating the heat exchange between nuclear plant and FT process, and this study is underway. The carbon conversion ratio in the baseline case is 99%, with process CO2 capture and recirculation and oxy-combustion using the oxygen by-product from water electrolysis. The hydrogen consumption is 1.38 kg/gal-FT fuel and the CO2 consumption is 8.56 kg/gal-FT fuel in the baseline case. With different FT production scales determined by the nuclear plant capacity, the FT model was scaled using the same operating parameters, which led to the same conversion efficiency regardless of scale. However, the different FT plant scales will impact the economics of FT fuel production; this impact will be examined in the next phase of this study.

Zang, Guiyan↗
DOE OSTI2020

Scale and Regionality of Nonelectric Markets for U.S. Nuclear Light Water Reactors

This study assesses existing and potential industries that could conceivably be directly coupled to existing nuclear reactors. The goal is to identify the scale, location, and accessibility of the candidate industrial-product markets, as well as process feedstocks that are available near the plants to establish new industries. For example, CO 2 as a feedstock can be combined with H 2 to produce formic acid (FA), transportation fuels, and lubricants. These new plants can be entirely supported with the heat and electricity provided by a nearby NPP. The potential demand for nonelectric industrial products was assessed by documenting current and possible growth of nonelectricity product markets considered. This assessment used DOE- and industry-supported tools, data, and projections to capture regional industrial market opportunities. Electricity-capacity markets that reward large and reliable generators, such as NPPs, were considered because the electricity market will likely continue to be an important revenue source to NPPs. The key is to balance the needs of energy customers so as to optimize revenue for the affiliated energy customers or partners. In most cases, flexible plant energy delivery and power generation for the grid will require either energy storage or a stock of intermediate products to sustain the industrial customers when the NPP dispatches electricity to the grid. A diverse mix of temperate regions with operating NPPs around the U.S.—representing a variety of operating markets, local generation mix, and seasonal climates—were chosen for this market study. Both current and future market opportunities for candidate industrial-product markets surrounding these NPPs were studied. Figure 2 illustrates the regions chosen for this study. The success of developing nonelectric industrial-product markets as alternative revenue-generating sources for LWRs depends, not only on demand from growing existing markets, such as petroleum refining and NH 3 production, but also on the development of new markets such as light-duty (LD) and heavy-duty (HD) hydrogen FCEVs, synfuels, chemical production, biofuels, metal refining, injection of hydrogen into NG pipelines for gas power-generating units, FA, polymers, and close-coupled industrial heat applications, all of which can significantly increase demand relative to current levels while decarbonizing energy sectors. This study also presents a sample analysis of the economics of hydrogen production in an area of Minnesota, considering the capital and operating costs of a hydrogen plant as well as the local market demand for hydrogen. It includes some assumptions on electricity-grid pricing, showing how hydrogen could be integrated with an NPP and be competitive with the incumbent hydrogen-production process, steam methane reforming (SMR). The objectives of this study include: Provide U.S. NPP operators a robust sampling of the market demand location, scale, and accessibility (including storage and transportation) of the wide variety of industrial-product choices that can be produced using nuclear thermal energy and electricity proximate to a subset of U.S. NPPs to inform the industry of the potential opportunity; show examples and trade-off analyses of how U.S. LWR operators can access these markets, including storage and transportation of industrial products to their intended markets; and present a general analysis example for one industrial product (hydrogen) in one region (Minnesota area), including production, storage, and transportation, to show how nuclear-hybrid integrated energy systems (IESs) could access local markets and improve the profitability of an NPP.

03 NATURAL GAS↗
DOE OSTI2023

Assessment of Bulk Oxygen Capacity and Transient Redox Behavior of Foamed Lanthanum Strontium Manganese Perovskites

Synthesis of solar thermochemical hydrogen (STCH) production redox materials with engineered structures, for example, replica foams, can enable efficient heat and mass transport and are critical for scaled-up systems. Prior work has motivated the use of lanthanum strontium manganese (LSM)-type perovskites as foamed STCH materials, but the effect of their morphology on bulk and kinetic behavior has not been reported. In this work, replica and direct foamed samples of La 0.65 Sr 0.35 MnO 3-δ (LSM35) were fabricated and compared to synthesized powders and dense monoliths, and similarly synthesized CeO 2-δ (ceria) foams, regarding their specific reaction rates and bulk oxygen capacity/H 2 yields. Changes in oxygen capacity (Δδ) and reaction rates were measured between 1200 °C and 1400 °C by using fixed ratios of steam and hydrogen during both reduction and oxidation steps, allowing for analysis under practical high conversion conditions. Results suggest bulk behavior and reaction rates of the foamed LSM materials are comparable to their powder analogues. Differences in reaction rates were observed only when replica foamed samples were subjected to rapid laser heating (emulating conditions expected in solar furnaces), which is expected but has not been demonstrated at such a small scale. Here, foamed samples were further subjected to 50 redox cycles at 1400 °C to evaluate their stability. Results show no statistically significant decrease in hydrogen production for any of the foamed samples, but the direct foamed samples became brittle with time. Together, these results demonstrate the viability of replica foamed LSM perovskites for integration in scaled-up STCH systems.

08 HYDROGEN↗
DOE OSTI2023

Accurate prediction of oxygen vacancy concentration with disordered A-site cations in high-entropy perovskite oxides

Abstract Entropic stabilized ABO 3 perovskite oxides promise many applications, including the two-step solar thermochemical hydrogen (STCH) production. Using binary and quaternary A-site mixed {A}FeO 3 as a model system, we reveal that as more cation types, especially above four, are mixed on the A-site, the cell lattice becomes more cubic-like but the local Fe–O octahedrons are more distorted. By comparing four different Density Functional Theory-informed statistical models with experiments, we show that the oxygen vacancy formation energies ( $${E}_{V}^{f}$$ E V f ) distribution and the vacancy interactions must be considered to predict the oxygen non-stoichiometry ( δ ) accurately. For STCH applications, the $${E}_{V}^{f}$$ E V f distribution, including both the average and the spread, can be optimized jointly to improve Δ δ (difference of δ between the two-step conditions) in some hydrogen production levels. This model can be used to predict the range of water splitting that can be thermodynamically improved by mixing cations in {A}FeO 3 perovskites.

08 HYDROGEN↗
DOE OSTI2022

Redox Defect Thermochemistry of FeAl 2 O 4 Hercynite in Water Splitting from First-Principles Methods

Solar thermochemical hydrogen (STCH) production is a promising route to produce fuels from sunlight via high-temperature water splitting. However, efficient and technologically viable implementations of this process only allow a narrow window of thermodynamic boundary conditions that can be used to cycle the system, thus limiting the design space for suitable metal oxide redox mediators. An oxygen defect redox mechanism can contribute a favorable reduction entropy to expand this window, and computational evaluation of materials with high oxygen defect entropies could play a pivotal role in guiding the discovery and design of suitable oxides. This study employs first-principles calculations to investigate the redox mediating defect mechanism of the STCH candidate material, hercynite (FeAl 2 O 4 ). We compare the results of total energy calculations from density functional theory (DFT) with beyond-DFT approaches, including hybrid functionals and the random phase approximation, which are among the most advanced methods currently feasible for supercell defect calculations. Using the predicted formation energies, we perform thermodynamic modeling of FeAl2O4 reduction and oxidation via free energy minimization that incorporates ideal gas, configurational, and vibrational entropy contributions evaluated within the quasi-harmonic approximation. Special attention is devoted to understanding interactions among co-existing defects, such as the association of pairs and complexes of O vacancies and cation antisite defects, and the effect of mutually compensating defect charges. Our results corroborate the notion that the details of defect interactions can be decisive for the viability of hydrogen production within the desirable STCH process window.

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

Enhancing Value-Added CO Production from CO 2 Hydrogenation by Tailoring the Ru-CeO 2 Interface on MgO

Catalytic CO 2 hydrogenation presents a promising route for converting CO 2 into valuable products, contributing to the mitigation of net CO 2 emissions. Supported Ru catalysts have recently gained considerable attention due to their tunability for 100% CO selectivity via the reverse water-gas shift pathway, effectively suppressing the competing methanation route. However, despite achieving full CO selectivity, the overall CO yield remains limited by low CO 2 conversion, necessitating further improvement. In this work, CeO 2 was introduced to modify a Ru/MgO single-atom catalyst for CO 2 hydrogenation. The resulting Ru-CeO 2 /MgO catalyst, featuring abundant Ru-CeO 2 interfacial sites, exhibited a favorable balance of CO 2 conversion and CO selectivity, delivering the highest CO yield (32.5% at 500 °C), which is 9.0 and 1.8 times higher than that on Ru/MgO (3.6%) and Ru/CeO 2 (18.4%), respectively. Although the CO selectivity was slightly compromised due to enhanced CO binding at Ru-CeO 2 interfacial sites, H 2 was more efficiently activated at these interfaces and readily reacted with CO 2 adsorbed on CeO 2 -MgO surfaces, thereby boosting the CO 2 hydrogenation activity and CO yield. This study underscores the critical role of Ru-metal oxide interface engineering in improving CO yield and advancing the rational design of highly efficient Ru catalysts for CO production from CO 2 hydrogenation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ru/MgO catalyst with dual Ru structure sites for efficient CO production from CO 2 hydrogenation

The development and comprehension of supported metal catalysts for CO 2 hydrogenation is of paramount importance in mitigating the net CO 2 emissions. Supported Ru catalysts have been widely recognized in facilitating CO 2 methanation, on which recent findings suggest that the CO 2 hydrogenation process can be manipulated to favor the reverse water–gas shift (RWGS) pathway by precisely adjusting the size of Ru particles. However, the size-dependent impact of Ru remains a topic of lively debate. In this work, Ru/MgO catalysts with Ru in the form of single atoms (Ru 1 ) and few-atom cluster (Ru FAC ) structures were prepared for CO 2 hydrogenation. The 1.0Ru/MgO catalyst (with 1 wt.% of Ru), featuring a mixture of Ru 1 and Ru FAC with a size of 0.6–1.0 nm, showed the highest CO yield (38% at 500 °C) with balanced CO 2 conversion and CO selectivity. Transient CO 2 hydrogenation and temperature-programmed surface reaction (TPSR) studies suggested that the adsorbed CO 2 species participated in CO 2 hydrogenation. On Ru 1 sites, CO 2 hydrogenation followed the RWGS pathway, resulting in the production of CO. In contrast, on Ru FAC sites, the enhanced H 2 dissociation ability, along with the presence of adsorbed bidentate and monodentate carbonate species at the Ru-MgO interfaces, facilitated the formation of CH 4 through the CO 2 methanation pathway. In conclusion, this study highlights the critical roles of Ru structure and local environment in defining the CO 2 hydrogenation pathways and provides new design principles for highly active Ru-based catalysts.

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

Nickel Sulfide-Nanowire-Filled Carbon Nanotubes as an Efficient Overall Water Splitting Electrocatalyst

Pursuing stable, efficient, and cost-effective nanostructured bifunctional electrocatalysts is crucial for advancing the electrochemical water splitting process and enabling clean hydrogen energy production. In recent years, considerable efforts have focused on developing highly efficient and durable commercial electrocatalysts for the oxygen evolution reaction (OER) and overall water splitting (OWS). This research introduces an OWS electrocatalyst-nickel sulfide-filled carbon nanotubes grown on a carbon cloth substrate (Ni 3 S 2 @CNTs/CC), synthesized via a one-step in-situ process. The synergistic integration of metal sulfide (Ni 3 S 2 ) and carbon nanotubes provides abundant active sites for catalytic reactions, ensuring a robust composite nanostructure with enhanced durability. Furthermore, the electrocatalytic performance for OER and OWS has been significantly improved by a simple acid treatment to the electrocatalysts, which introduces physical and chemical defects, particularly oxygen functional groups (the acid-treated sample is termed as Ni 3 S 2 @CNTs/CC-AT). As OER electrocatalysts, Ni 3 S 2 @CNTs/CC and Ni 3 S 2 @CNTs/CC-AT present overpotentials of 304 and 200 mV, respectively, for achieving a current density of 10 mA/cm 2 in the OER process. Furthermore, for complete water splitting in 1.0 M KOH electrolyte, Ni 3 S 2 @CNTs/CC and Ni 3 S 2 @CNTs/CC-AT exhibit potentials of 1.63 and 1.44 V, respectively, to achieve a current density of 10 mA/cm 2 when employed as both anode and cathode. Moreover, Ni 3 S 2 @CNTs/CC and Ni 3 S 2 @CNTs/CC-AT demonstrate durable nature for 22 and 20 h durability in the OER and OWS processes, respectively, offering a promising alternative to ruthenium- and iridium-based electrocatalysts for electrochemical hydrogen production through water splitting. In conclusion, the in-situ synthesis method and acid treatment strategy described in this research are promising approaches to fabricating high-performance encapsulated carbon-nanotube-based electrocatalysts.

36 MATERIALS SCIENCE↗