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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Thermodynamic modeling of countercurrent chemical looping reverse water gas shift process for redox material screening

The reverse water gas shift (RWGS) reaction is a key pathway for CO 2 utilization, particularly within Power-to-X process chains aimed at sustainable fuel and chemical production. Countercurrent chemical looping (CL-RWGS) using non-stoichiometric oxides can overcome equilibrium limitations of conventional RWGS reactors, enabling significantly higher CO 2 conversions. However, modeling the limiting performance of such systems is challenging due to their multiphase nature and coupled spatial and temporal variation in chemical composition. In this work, we present a discretized batch equilibrium model that simulates CL-RWGS reactors as a series of localized equilibrium exchanges between gas and solid elements. The model is numerically stable, computationally efficient, and free of kinetic source terms, making it well-suited for parametric studies and system-level integration. It is validated against established convection–diffusion models and shown to predict reasonable upper bounds on experimental results. Application of the model to a range of oxygen carrier materials identifies cerium–zirconium solid solutions, particularly Ce 0.80 Zr 0.20 O 2 , as a promising class offering superior oxygen storage characteristics compared to state-of-the-art La 0.6 Sr 0.4 FeO 3 . This framework provides a robust platform for materials screening, reactor sizing, and performance optimization in chemical looping systems. The model implementation is available as open-source software to support further research and development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Improving Low-Bandgap Tin–Lead Perovskite Solar Cells via Contact Engineering and Gas Quench Processing

Low-bandgap Sn/Pb ABX 3 perovskites have reached photovoltaic power conversion efficiencies >20%, but they usually have poor stability due to the common use of acidic poly(3,4-ethylenedioxythiophene):polystyrenesulfonate (PEDOT:PSS) hole transport layers and A-site cation compositions containing methylammonium (MA). In this work, we develop a process to enable high-quality MA-free Sn/Pb perovskite films grown using a gas quenching process instead of the conventional antisolvents, which provides improved control of the film growth and eliminates wrinkling. Using this method in a device structure with poly[bis(4-phenyl)(2,4,6-trimethylphenyl)amine] (PTAA) instead of PEDOT:PSS as the hole transport layer, devices can reach efficiencies up to 20% mppt at 0.06 cm 2 and up to 17.5% mppt at 1 cm 2 active area. With these improvements, the devices are characterized for thermal stability and show 80% of the initial power output remaining after 4000 h at 85 °C.

14 SOLAR ENERGY↗
DOE OSTI2025

Modeling a High-Temperature Electrochemically Driven Water-Gas-Shift Process Using a Mixed-Conducting Membrane without External Electrical Power

This paper develops a model to predict and interpret the performance of an elevated-temperature, electrochemical, membrane-assisted, water-gas-shift process. The process uses separated feed streams of H 2 O and CO to produce separated streams of H 2 and CO 2 , without an external electrical power source. The dense ceramic membrane is mixed ionic-electronic-conducting (MIEC) gadolinium-doped ceria (GDC) and the porous composite electrodes are Ni-YSZ. At elevated temperature, GDC conducts both oxygen ions and small polarons. The present process uses chemical potential to drive the process. Electrochemical oxidation of CO proceeds within the composite anode and H 2 O reduction proceeds within the composite cathode. At high temperature (e.g., T > 700 °C), GDC has significant electronic leakage in the form of a reduced-cerium small polaron, which supports the charge-transfer reactions. In a typical electrolyzer or fuel cell, this leakage is significantly problematic. However, the present process depends on the leakage current to complete the electrochemical circuit. Model development and validation is based on measured material properties and reactor performance. Potential applications include using CO-rich blast-furnace off gases in steel processing, producing separated streams of H 2 and CO 2 .

Zhu, Huayang↗
DOE OSTI2022

Evaluation of subsurface transport processes of delayed gas signatures applicable to underground nuclear explosions

Radioactive gas signatures from underground nuclear explosions (UNEs) result from gas-migration processes occurring in the subsurface. The processes considered in this study either drive or retard upward migration of gases from the detonation cavity. The relative importance of these processes is evaluated by simulating subsurface transport in a dual-permeability medium for the multi-tracer Noble Gas Migration Experiment (NGME) originally intended to study some aspects of transport from a UNE. For this experiment, relevant driving processes include weak two-phase convection driven by the geothermal gradient, over pressuring of the detonation cavity, and barometric pumping while gas sorption, dissolution, radioactive decay, and usually diffusion represent retarding processes. From deterministic simulations we found that over-pressuring of the post-detonation chimney coupled with barometric pumping produced a synergistic effect amplifying the tracer-gas reaching the surface. Bounding simulations indicated that the sorption and dissolution of gases, tending to retard transport, were much smaller than anticipated by earlier laboratory studies. The NGME observations themselves show that differences in gas diffusivity have a larger effect on influencing upward transport than do the combined effects of tracer-gas sorption and dissolution, which is consistent with a Sobol’ sensitivity analysis. Both deterministic simulations and those considering parametric uncertainties of transport-related properties predict that the excess in concentration of SF 6 compared to 127 Xe as might be captured in small volumetric samples should be much smaller than the order-of-magnitude contrast found in the large-volume gas samples taken at the site. While extraction of large-volume subsurface gas samples is shown to be capable of distorting in situ gas compositions, the highly variable injection rate of SF 6 into the detonation cavity relative to that of 127 Xe at the start of the field experiment is the most likely explanation for the large difference in observed concentrations.

58 GEOSCIENCES↗
DOE OSTI2024

Exploring the Feasibility of a Carbon Dioxide Storage Hub in Western North Dakota

The University of North Dakota Energy & Environmental Research Center (EERC) and project partner ONEOK, Inc. (ONEOK) are investigating the feasibility of establishing a CO2 (carbon dioxide) storage hub in western North Dakota—in the heart of the Williston Basin. The conceived Roughrider Carbon Storage Hub would store CO2 captured from six gas-processing plants owned and operated by project partner ONEOK and a planned gas-to-liquids plant. This 2-year U.S. Department of Energy-sponsored Carbon Storage Assurance Facility Enterprise (CarbonSAFE) Phase II feasibility study is evaluating the aggregation of the CO2 captured from these seven sources for injection into stacked geologic storage complexes. The proposed hub includes several aspects that make it a highly qualified candidate for a feasibility study with a notably reduced project risk profile. These include 1) a project partner (ONEOK) with a committed goal to reduce greenhouse gas emissions; 2) prior subsurface data analysis supporting a potential stacked storage configuration with adequate CO2 storage resource; 3) commitment from local, regional, and state-level stakeholders; and 4) a state with U.S. Environmental Protection Agency underground injection control Class VI primacy. ONEOK’s assets in the Williston Basin provide significant environmental benefits by capturing and processing natural gas that may otherwise be flared or vented. Storing CO2 from these gas-processing facilities will reduce overall CO2 emissions in the basin while providing essential services to producers there and contributing to continued energy independence in the domestic markets.

03 NATURAL GAS↗
DOE OSTI2024

Hydrogen storage and geo-methanation in a depleted underground hydrocarbon reservoir

Coupling of power-to-gas processes with underground gas storage could effectively allow surplus electricity to be stored for later use. Depleted hydrocarbon reservoirs could be used as stores, but practical experience of hydrogen storage in such sites is limited. Here we present data from a field trial that stored 119,353 m 3 of hydrogen admixed to natural gas in a depleted hydrocarbon reservoir. After 285 days, hydrogen recovery was 84.3%, indicating the process’s technical feasibility. Additionally, we report that microbes mediated hydrogen conversion to methane. In laboratory experiments studying mesocosms that mimic real reservoirs, hydrogen and carbon dioxide were converted to methane (0.26 mmol l —1 h —1 evolution rate) reproducibly over 14 cycles in 357 days. This rate theoretically allows 114,648 m 3 of methane per year to be produced in the test reservoir (equivalent to ~1.08 GWh). Our research demonstrates the efficiency of hydrogen storage and the importance of geo-methanation in depleted hydrocarbon reservoirs.

08 HYDROGEN↗
DOE OSTI2021

Additively Manufactured Compliant Hybrid Gas Thrust Bearing for Supercritical Carbon Dioxide Turbomachinery: Experimental Evaluation and Fluid–Structure Model Predictions

This paper presents rotating test results and advances an analytical predictive fluid–structure model for a new type of gas-lubricated thrust bearing fabricated using direct metal laser melting. The bearing concept in this study is a compliant hybrid gas thrust bearing that uses external pressurization to increase load carrying capacity, where the testing campaign in this study was only focused on steady-state static performance. The need for the bearing concept comes from enabling highly efficient supercritical carbon dioxide (sCO2) turbomachinery by replacing oil-lubricated bearings with process gas lubrication. Leveraging the process gas of the turbomachine for bearing lubrication results in lowered bearing power loss, simplified mechanical design, and allows for novel oil-free hermetic drivetrains resulting in an efficient emission-free system. The new concept utilizes hydrostatic pressurization on individual tilting pads flexibly mounted with hermetic squeeze film dampers (HSFDs). This paper focuses on rotating tests of a 173 mm outer diameter gas thrust bearing in air up to 10 krpm and hydrostatic inlet pressures to 365 psi (2.52 MPa). The influence of thrust runner speed and bearing inlet pressure on force deflection characteristics and load carrying capability of the gas film were experimentally evaluated. This work also advances a predictive fluid–structure thrust bearing model using an isothermal ideal-gas-based compressible Reynolds flow equation directly coupled to a lumped stiffness element possessing axial and rotational degrees-of-freedom. The rotating testing demonstrated load capability of 1816 lbs (8.1 kN), which equates to a thrust bearing unit load of 67 psi (0.46 MPa). Gas film force–deflection curves reveal a nonlinear relationship between thrust load and film clearance. Comparison of film thickness values with the predictive model show good agreement under high load and inlet pressure, however deviate as load and pressure decrease. Load capability was shown to increase with increasing hydrostatic inlet pressure, while the increase in thrust runner speed revealed a small decrease in load capacity.

Engineering↗
DOE OSTI2022

Simulation of dilatancy-controlled gas migration processes in saturated bentonite using a coupled multiphase flow and elastoplastic H 2 M model

Dilatancy-controlled gas flow in preferential pathways plays a key role in the safety analysis of radioactive waste repositories. This is particularly the case for bentonite, an often-preferred barrier material. Gas flow in preferential pathways is characterized by localization and spontaneous behavior, which is challenging to simulate in numerical models due to strong hydro-mechanical coupling. To analyze a laboratory experiment in the framework of the DECOVALEX-2023 project, this study introduced a new approach of combining continuous modelling methods with spatial material properties derived from material heterogeneities and experimental observations. The proposed model utilized hydro-mechanical spatial distributions, namely Young's modulus and gas entry pressure, and elastoplasticity combined with a linear swelling model. A conceptual strain-dependent permeability approach simulated dilatancy-controlled gas flow based on hydro-mechanical coupling. To test the effectiveness of the presented approach, a gas injection test in a compacted, saturated bentonite sample was simulated using the open-source code OpenGeoSys 5.8 and compared with experimental observations. The presented methodology is capable of simulating localized gas flow in preferential pathways. The spatial distributions of Young's modulus and gas entry pressure affect the swelling pressure, relative permeability and, in combination with the strain-dependent permeability model, also the intrinsic permeability.

42 ENGINEERING↗
DOE OSTI2020

Etching of Si 3 N 4 induced by electron beam plasma from hollow cathode plasma in a downstream reactive environment

An etching system based on the interaction of electrons extracted from a direct current (DC) hollow-cathode (HC) Ar plasma and injected towards a Si3N4 covered silicon substrate located in the downstream reactive environment created by an additional remote CF 4 /O 2 plasma source was developed and evaluated. By controlling the properties of the injected beam electrons, this approach allows to deliver energy to a surface functionalized by exposure to reactive species, and initiate surface etching. The energy of the primary beam electrons is controlled by the acceleration voltage relative to the HC discharge. Ar atoms flow from the high-pressure HC discharge into the low pressure downstream reactive environment in the process chamber. For an acceleration voltage greater than the ionization potential of Ar and/or process gas species, the energetic primary beam electrons produce a secondary plasma in the process chamber, and can also cause additional dissociation. We have characterized the properties of the secondary plasma and also surface etching of Si 3 N 4 as a function of process parameters, including acceleration voltage (0-80 V), discharge current of the HC discharge (1-2 A), pressure (3.5-20 mTorr), source to substrate distance (1.5 to 5 cm), and feed gas composition (20% and 80% O2 in CF 4 /O 2 ). The electron energy probability function (EEPF) measured with a Langmuir probe about 2.5 cm below the extraction ring suggests several major groups of electrons for this situation, including high energy primary beam electrons with an energy that varies as the acceleration voltage is changed and low energy electrons produced by beam electron-induced ionization of the Ar gas in the process chamber. When a remote CF 4 /O 2 plasma is additionally coupled to the process chamber, Si 3 N 4 surfaces can be functionalized, and by varying the energy of the beam electrons, Si 3 N 4 etching can be induced by electron-neutral synergy effect with plasma-surface interaction. For conditions without beam electron injection, the remote plasma etching rate (ER) of Si 3 N 4 depends strongly on the O 2 concentration in the CF 4 /O 2 processing gas mixture and can be suppressed for O 2 -rich process conditions by the formation of a SiONF passivation layer on the Si 3 N 4 surface. The combination of the HC electron beam source with the remote plasma source (HCEB-RP) makes it possible to induce Si 3 N 4 etching for O 2 -rich remote plasma conditions where remote plasma by itself produces negligible Si 3 N 4 etching. The electron enhanced etching of Si 3 N 4 depends strongly on O 2 /CF 4 mixing ratio reflecting changing arrival rates of O and F species at the surface. Optical emission spectroscopy was used to estimate the ratio of gas phase F and O densities and found to be controlled by the gas mixing ratio and independent of HC EB operating conditions. At this time the detailed sequence of events operative in the etching mechanism is unclear. While the increase of the electron energy is ultimately responsible for initiating surface etching, at present we cannot rule out a role of ions from the simultaneously produced secondary plasma in plasma surface interaction mechanisms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Deposition-controlled phase separation in CuNb metallic alloys

Vapor co-deposited metal nanocomposites with immiscible components have shown to have several superior properties including mechanical performance, radiation tolerance, and enhanced functionalities. The morphology and structural design of these nanocomposites are important in determining the expression of these properties. The conditions used to deposit thin film nanocomposites are the governing factors in determining the final nanostructure. In this work, we link the effects of process gas pressure, substrate temperature, and sputtering target power on resultant Cu/Nb thin film nanostructures. Here, we find that for films with equiatomic phase fractions of Cu and Nb, inhomogeneous precipitate segregation dominated the structure at lower substrate temperature depositions while higher temperatures distributed the Cu and Nb phases more uniformly. Increasing process gas pressure during deposition lead to a spatially homogeneous, nanocrystalline structure of Cu/Nb. In situ annealing of this sample shows that the phase separated morphology of the two immiscible materials depends on the initial composition. Finally, compositions of Cu and Nb that were highly disparate lead to interface segregation of the minority phase. The morphological evolution observed in the Cu/Nb system is compatible with modified structural zone models for immiscible thin film systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Large reductions in Permian Basin methane intensity shown in multi-year comparison of aerially-visible methane emissions

Spanning the US states of Texas and New Mexico, the Permian Basin has been a hotspot of methane emissions from oil and natural gas activity 1–4, although studies disagree over the magnitude of these emissions. The most comprehensive measurement campaigns published were conducted in 2019 1–5 .There have been large changes in the energy industry since then, including in the prices of oil and gas, both state and federal regulatory environments, investor and activist pressure over methane emissions, and the adoption of new technologies and policies by energy operators. Understanding how any or all of these might influence methane emissions is important for policy makers, oil and gas operators, and other stakeholders. We characterize the time evolution of Permian Basin methane emissions using a series of comprehensive aerial surveys conducted every year from 2020-2023 and compare them to the 2019 results cited above. To maintain comparability, all the data sets are from surveys using Insight M point source methane sensing technology. The scope of these surveys expanded over time: from 33-46% of wells, oil production, and gas production in 2020 to 60-65% in 2021, to 84% of wells and over 90% of both oil and gas production in 2023. These surveys by Insight M also include hundreds of gas processing plants and compressor stations as well as 1000s of km of gathering and transmission pipelines. Considering only the aerially detected portion of emissions (typically the majority of the total in such surveys 4), we find reductions of more than 70% in methane emissions intensity compared to the 2019 New Mexico-only Insight M survey, with variation depending on the year 3,4. Notably, although sources below 100 kg/hr contributed less than 10% of aerially measured emissions the 2019 New Mexico survey 3, these smaller sources constitute a larger proportion of total aerially measured emissions (although not the majority) in 2020-2023. Production facilities and gathering pipelines are responsible for the larges shares of total emissions, followed by compressor stations and gas processing plants. Permian methane emissions were also measured in a comprehensive 2019 Permian-wide survey by the Carbon Mapper team 2. That analysis led to a lower total emissions estimate at the time 4. These new Insight M-based emission rates are still roughly 30-70% lower than the aerially measured portion of the 2019 Carbon Mapper-based estimates 4. Further work is needed to harmonize these surveys in space and time to create the most intercomparable numbers possible 5. Additional analysis is needed to compare our findings to the more spatially constrained 2020, 2021, and 2023 Carbon Mapper surveys in the Permian 4,6. The evidence is strong from these two survey teams that emissions intensity has declined significantly since 2019. Reasons for this trend are currently unclear but point to possible success of emissions control programs. Future work investigating frequency, source, and operator-specific intensities could provide insights into the causes of this promising trend.

methane, oil and gas, data science, remote sensing↗
DOE OSTI2023

Enhanced plasma current spike formation due to onset of 1/1 kink-tearing reconnection during a massive gas injection process

The formation of the plasma current spike at the end of the thermal quench (TQ) phase is studied systematically, which is found to strongly correlate with the onset of the 1/1 kink-tearing reconnection only in the simulation results presented here. Here, the magnetohydrodynamic activity on the q = 1 surface plays a critical role in the spike formation and the disruption process. In particular, when the safety factor in the magnetic axis q 0 exceeds 1, the plasma major disruption transits into successive minor disruptions, and the start of the TQ phase is delayed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Cost of Capturing CO 2 from Industrial Sources

This systems analysis by the National Energy Technology Laboratory's Strategic Systems Analysis and Engineering directorate) evaluates the cost and performance impacts of capturing CO 2 emissions from nine industrial sources (ammonia, ethylene oxide, and ethanol production, natural gas process, coal- and gas-to-liquids, refinery hydrogen production, iron and steel, and cement manufacturing). The industrial sectors examined are segregated according to the CO 2 purity level of the flue gas stream, prior to treatment. Certain sectors naturally produce a gas stream that is inherently high in CO 2 purity, and these sectors can achieve 99-100% removal. Other sectors produce a lower purity CO 2 flue gas stream and achieving 90-99% removal requires deeper levels of treatment, adding cost. In addition to the report that documents the analysis, a Carbon Capture Retrofit Database tool was also created that allows users to apply CO 2 capture to selected industries, to evaluate the cost of capture and compare across multiple plants, as well as across different industries. Users have the ability to change select input parameters (such as fuel price, capture rate, and financing assumptions) to evaluate the impact on industrial CO 2 capture economics.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

Powder satellite-reduction apparatus and method for gas atomization process

The broad applicability of at least certain aspects of the present invention derives from the ability to determine the critical location where secondary satellite formation occurs for any atomization system or design and allows for the rapid assessment of the effectiveness of various satellite reduction strategies, including but not limited to several embodiments detailed herein. Aspects of this invention can be utilized during initial atomization system design in order to evaluate effective chamber geometries and enabling strategies which reduce/eliminate satelliting, or can be retrofit to existing systems and allows for economic evaluation of effectiveness based off of initial capital expenditures versus increased operating requirements/expenses.

Anderson, Iver E.↗
DOE OSTI2023

Flexible Gasification of Coal and Biomass to Generate Carbon Free Electric Power and Hydrogen

This paper describes the development of a coal and biomass-fed plant concept to co-produce electric power and hydrogen with net-negative CO2 emissions under the aegis of the 21st Century Power Plant initiative of the U.S. Department of Energy (DOE), whose goal is to advance innovative power plant concepts that are capable of flexible, net-zero carbon emission operations while producing cost-effective “blue” hydrogen to support economy-wide decarbonization goals. The proposed standalone plant will be in Nebraska, USA. The specified design feedstock is a hybrid blend of Powder River Basin (PRB) subbituminous coal from Wyoming and local Nebraska biomass (corn stover), 50 wt.% each (dry basis). Other potential feedstocks, including woody biomass (eastern red cedar) and waste plastic (auto shredder residue) were evaluated or reviewed as alternates. The proposed process block comprises a high-pressure, oxygen-blown fluidized bed gasifier (GTI Energy U-GAS® process) coupled with water gas shift, the Selexol process for acid gas (H2S and CO2) removal, and pressure-swing adsorption (PSA) to yield 8,500 kg/h of high-purity hydrogen. The off gas from the PSA unit is used in the power block (gas turbine combined cycle) to generate electric power to support the gasification process, hydrogen production, and 50 MWe net electric power to the grid. All major plant equipment including the gasifier, gas cleanup system, and power generation are commercially available and proven in other applications and considered at TRL 8-9. However, gasification of corn stover biomass is considered at TRL 6. Overall thermal efficiency of the plant is 50% (net HHV) with net atmospheric CO2 removal at a rate of 250-300,000 tpa. Design activities necessary to provide input to a FEED study (Phase II of the project), including the development of the Environmental Information Volume (EIV) for the host site, and an investment case, based on a pro-forma pre-FEED level cost estimate, have been completed and are described in detail in this paper.

Gülen, S. Can↗