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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
DOE OSTI2023

Modeling Hydrodynamic Instabilities, Shocks, and Radiation Waves in High Energy Density Experiments [Dissertation]

This thesis presents the computational design, modeling, and analysis of three experiments in high-energy density physics (HEDP), all of them concerning fundamental radiation flows. The first experiment is a laboratory astrophysics experiment to investigate the role of the Kelvin-Helmholtz instability (KHI) in the process of galactic filaments supplying gas to galactic halos. The achieved goal was to provide a first study in which the role of the instability is maximal and predict behavior in future iterations of an experiment accessing a more radiative regime where the role of the instability is stifled. This experiment would help answer how certain galaxies are able to grow so rapidly and produce many stars as the KHI limits this process. The second experiment, COAX, is a radiation flow experiment with a novel spectroscopy diagnostic configuration, designed to spatially measure the temperature of a radiation wave as it travels down a doped foam. A key result of this work was the development of a synthetic spectroscopy application and application of modern spectroscopy comparison techniques to provide our first temperature reconstructions from the experimental data. This experimental platform serves as the launching ground for a number of new experiments that vary the basic premise and thus is foundational to our ongoing research. The final experiment is a full integration of modeling, design, and theoretical development for the Radishock experiment. This experimental platform studies the head-on collision of a radiation wave with a counter-propagating shock, and like COAX, uses spectroscopy to diagnose and detect the interaction. My research analyzes the successful shots, indicating aspects of successful detections and suggests improvements to future iterations of the design.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Strong Evidence of the Role of H 2 O in Affecting Methanol Selectivity from CO 2 Hydrogenation over Cu-ZnO-ZrO 2

CO 2 hydrogenation to methanol with renewable H 2 is an ideal process for coupling reduction of greenhouse gas and development of sustainable methanol economy, and Cu-ZnO-ZrO 2 is regarded as a promising catalyst for this process. Identification of the key descriptors that control the catalytic activity and selectivity is one of the most important issues for this reaction. In this work, we identify the role of water in the hydrogenation of CO 2 to methanol, which strongly affects the selectivity and yield of methanol. Our results reveal that methanol is generated via the hydrolysis of methoxy formed by the hydrogenation of formate, and the desorbed water vapor facilitates the hydrolysis of methoxy. A suitable amount of water in the feed can promote the formation of methanol. The enhancement on the water vapor diffusion in catalysts by structural and/or surface modification offers a new strategy for tuning the selectivity and yield of methanol.

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

Design and Cooling Performance of Additively Manufactured Ceramic Turbine Vanes

Ceramic materials are of significant interest in aviation and power generation gas turbine engines due to their low density and ability to withstand high temperatures. Increased cycle thermal efficiency and higher specific power output is possible by incorporating ceramic components that enable high turbine inlet temperatures and lower required cooling airflow levels. However, ceramics can be difficult and costly to form into the complex shapes used in gas turbine components, often requiring specialized multi-step processes. Furthermore, ceramic components in the hottest areas of a gas turbine, such as vanes or blade shroud seals, will still likely require cooling which is challenging to implement in conventional ceramic manufacturing approaches. Therefore, this study presents a multidisciplinary approach that investigates the design, fabrication, and overall cooling effectiveness evaluation of additively manufactured (AM), polymer derived ceramic (PDC) turbine vanes. A thermo-mechanically optimized vane design was generated, ceramic additive manufacturing of the complex cooling configuration was developed, and quantification of the increase in overall cooling effectiveness was performed in a 1X scale, high-speed facility using infrared thermography. This study produced a PDC AM process, capable of printing complex internal cooling schemes in 1X scale turbine vanes. Furthermore, it was found that the optimized vane more than doubled the overall cooling effectiveness observed in the baseline design, which reasonably agreed with thermomechanical optimization model predictions. Additionally, the optimized ceramic vane outperformed an identical metal vane, in terms of area averaged cooling effectiveness, suggesting that the ceramic vane could operate at reduced coolant flowrates to achieve comparable levels of cooling performance.

Reynolds number↗
DOE OSTI2023

Design and Cooling Performance of Additively Manufactured Ceramic Turbine Vanes

Ceramic materials are of significant interest in aviation and power generation gas turbine engines due to their low density and ability to withstand high temperatures. Increased cycle thermal efficiency and higher specific power output is possible by incorporating ceramic components that enable high turbine inlet temperatures and lower required cooling airflow levels. However, ceramics can be difficult and costly to form into the complex shapes used in gas turbine components, often requiring specialized multi-step processes. Furthermore, ceramic components in the hottest areas of a gas turbine, such as vanes or blade shroud seals, will still likely require cooling which is challenging to implement in conventional ceramic manufacturing approaches. Therefore, this study presents a multidisciplinary approach that investigates the design, fabrication and overall cooling effectiveness evaluation of additively manufactured (AM), polymer derived ceramic (PDC) turbine vanes. A thermo-mechanically optimized vane design was generated, ceramic additive manufacturing of the complex cooling configuration was developed, and quantification of the increase in overall cooling effectiveness was performed in a 1X scale, high-speed facility using infrared thermography. This study produced a PDC AM process, capable of printing complex internal cooling schemes in 1X scale turbine vanes. It was found that the optimized vane more than doubled the overall cooling effectiveness observed in the baseline design, which reasonably agreed with thermomechanical optimization model predictions. Additionally, the optimized ceramic vane outperformed an identical metal vane, in terms of area averaged cooling effectiveness, suggesting that the ceramic vane could operate at reduced coolant flow rates to achieve comparable levels of cooling performance.

Fox, Andrew↗
DOE OSTI2020

A Method for Obtaining Liquid–Solid Adsorption Rates from Molecular Dynamics Simulations: Applied to Methanol on Pt(111) in H 2 O

Adsorption is an important step in heterogeneous catalysis as it predetermines how many reactant molecules can participate in a surface reaction per unit time. While the rate of adsorption processes is well studied in gas–solid adsorption in both theory and experiment, such rates are still not well studied for liquid–solid adsorption. This is partly because the ever-changing configurations of liquid-phase solvent molecules impede the ability to study a molecule approaching a surface from a liquid phase by either experiment or theory. In this work, we develop a method using molecular dynamics (MD) simulations to study the rate of adsorption in liquid–solid adsorption processes. Specifically, we use MD to model the diffusion of a methanol molecule in aqueous solvent and its adsorption to a Pt(111) surface. We find that by approximating the solute motion as following the same displacement rates as a random walk model, the adsorbed and non-adsorbed states of the methanol molecule near the Pt(111) surface can be discerned and quantified. In particular, this methodology enables extracting a sticking coefficient and a macroscopically relatable adsorption rate. This method can be applied to arbitrary types of reactants and surfaces, as well as different liquid environments, thus providing a general tool for predicting quantitative adsorption rates of liquid–solid adsorption systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Development of an Open Global Oil and Gas Infrastructure Inventory and Geodatabase

This submission contains a technical report describing the development process and visual graphics for the Global Oil and Gas Infrastructure database. Access the GOGI database using the following link: https://edx.netl.doe.gov/dataset/global-oil-gas-features-database There is a web-mapping tool that allows you to visualize and interact with this data also available here: https://edxspatial.arcgis.netl.doe.gov/maps/edxspatial-gogi-index.html Acknowledgement: This work was performed under a CRADA between NETL and EDF, and was funded under the Climate and Clean Air Coalition (CCAC) Oil and Gas Methane Science Studies. The studies are managed by United Nations Environment in collaboration with the Office of the Chief Scientist, Steven Hamburg of the Environmental Defense Fund. Funding was provided by the Environmental Defense Fund, OGCI Companies (Shell, BP, ENI, Petrobras, Repsol, Total, Equinor, CNPC, Saudi Aramco, Exxon, Oxy, Chevron, Pemex) and CCAC.

GOGI↗
DOE OSTI2020

Hybrid Ceramic-CMC Vane with EBC for Future Coal Derived Syngas Fired 65% Efficient Turbine Combined Cycle

The efficiency of both simple cycle and combined cycle power generation systems scale with the peak temperature at which the gas exits the combustor to drive the turbine. In conventional systems, a substantial fraction of the total turbine core flow exiting the compressor is diverted downstream to cool metallic turbine hardware rather than power the turbine, much of which is used to cool the first-stage turbine vane. The use of coal derived syngas fuels provides an additional challenge to the lifetime of materials utilized in the turbine, as particulate byproducts created in the coal gasification process melt in the combustion gas, and can subsequently deposit and interact with the turbine hardware. The development of durable hot-section materials capable of operating at temperature well above that of single crystal superalloy airfoil/zirconia based thermal barrier coatings is critical to realizing 65% efficient coal derived syngas fired gas turbine based power systems. To enable higher turbine inlet temperatures while lowering cooling air requirements, United Technologies Research Center (UTRC), the central R&D laboratory supporting UT Pratt & Whitney, led the conceptual design of a new type of ceramic composite turbine hot section materials system. The design focused on a novel hybrid monolithic ceramic-fiber reinforced ceramic matrix composite (CMC) first stage turbine vane having an environmental barrier coating. By utilizing ceramic construction in the turbine hot-section, the core flow normally used to cool metallic components will be substantially reduced, increasing efficiency and reducing emissions. To provide the framework for future demonstration testing, UTRC partnered with University of North Dakota Energy and Environmental Research Center (UNDEERC) to provide a conceptual design for a gasified coal fed high-pressure turbine combustor system designed to mimic the conditions expected in a future 65% fuel to busbar efficient syngas fueled gas turbine based combined cycle. The UNDEERC and UTRC collaborated on characterizing dusts from coal gasifier filtration systems.

10 SYNTHETIC FUELS↗
DOE OSTI2017

Preliminary analysis of species partitioning in the DWPF melter. Sludge batch 7A

The work described in this report is preliminary in nature since its goal was to demonstrate the feasibility of estimating the off-gas carryover from the Defense Waste Processing Facility (DWPF) melter based on a simple mass balance using measured feed and glass pour stream (PS) compositions and time-averaged melter operating data over the duration of one canister-filling cycle. The DWPF has been in radioactive operation for over 20 years processing a wide range of high-level waste (HLW) feed compositions under varying conditions such as bubbled vs. non-bubbled and feeding vs. idling. So it is desirable to find out how the varying feed compositions and operating parameters would have impacted the off-gas entrainment. However, the DWPF melter is not equipped with off-gas sampling or monitoring capabilities, so it is not feasible to measure off-gas entrainment rates directly. The proposed method provides an indirect way of doing so.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Minimize Solvent Oxidation with NO X Pre-Scrubbing

A novel method to remove nitrogen dioxide (NO 2 ) from the flue gas of coal-fired power plants with CO 2 capture was further developed for commercial implementation. The technology leverages the equipment and chemistry in an existing (sulfur dioxide) SO 2 polishing scrubber upstream of the main CO 2 capture unit to remove the NO 2 , preventing degradation of the CO 2 capture solvent and formation of nitrosamines (environmental hazards). The research in this report focuses on further evaluation of the chemical additives and operating conditions associated with the NO 2 removal process to define conditions for commercial scale testing and deployment. Experimental work systematically evaluated a series of potential additives to minimize the oxidation of sulfite in a representative SO 2 pre-scrubber solution (sulfite, in turn, absorbs NO 2 ). The additive combinations and concentrations were varied alongside important process conditions such as temperature, oxygen concentration, and metals present in solution to mimic the conditions expected in a commercial system. Important results of the parametric experimental work include identifying a new, potent sulfite oxidation inhibitor, revealing the importance of combining inhibitors with metal chelating agents, validation of a low-cost additive process, and development of a new semi-empirical model to represent mechanisms associated with sulfite oxidation. In addition, the experimental work reveled the impact of operating at higher temperatures (representative of a field test unit), which will guide the selection and concertation of additives as well. Engineering analysis found that waste solutions from the pre-scrubber with NO 2 additives may potentially be integrated with existing processes on site (e.g., flue gas desulfurization unit). In addition, techno-economic analysis identified potential net savings as large as $1.30/tonne CO 2 captured and quantified the potential benefit of low cost additive options actively being pursued by the development team. Finally, the experimental results and engineering analysis supported the development of a detailed field testing plan and protocol to evaluate the technology at near-commercial scale. The field test preparation included development of procedures to introduce chemical additives to an existing SO 2 polishing unit and identification of representative flue gas conditions based on a review of existing plants. These activities will have direct bearing on operation and design of commercial units.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

Carbonate-Catalyzed CO 2 Insertion into Hydrocarbon C-H Bonds (Final Technical Report)

The development of methods to utilize CO 2 as a feedstock for chemical and fuel synthesis is critical for creating renewable alternatives to fossil fuel-based products. This project investigated a class of catalyst materials known as "dispersed carbonates", which are composed of alkali carbonate salts (e.g. potassium carbonate) dispersed in porous support materials. These catalysts react with CO 2 and organic molecules to form chemicals known as carboxylates that have wide applications in the chemical industry. The project used a combination of spectroscopic and reactivity studies to provide fundamental insight into the structure and mechanism of dispersed carbonates in these reactions, leading to variants with greater reactivity. In addition, dispersed carbonates were investigated for CO 2 hydrogenation catalysis, which is critical for processes under development for making sustainable fuels. The dispersed carbonates proved to be highly active and selective catalysts for the reverse water gas shift reaction in which CO 2 is hydrogenated to CO. The dispersed carbonates provide a compelling alternative to conventional metal-based catalysts for reverse water gas shift that could enable new process designs with higher efficiency and lower complexity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Front-End Engineering Design Study for Retrofit Post-Combustion Carbon Capture on a Natural Gas Combined Cycle Power Plant

The objective of the project is to conduct a Front-End Engineering Design (FEED) study to determine the technical and economic feasibility of installing a retrofit, post-combustion, carbon capture facility on a commercially operating, natural gas-fired, combined cycle (NGCC) power plant. The Electric Power Research Institute (EPRI), California Resources Corporation (CRC), and Fluor Corporation used Fluor's Econamine FG Plus SM (EFG+) conducted the FEED study for capturing CO 2 produced by CRC's 550 MWe Elk Hills Power Plant (EHPP), located in the Elk Hills Oil Field near Tupman, Kern County, California. The EHPP was commissioned in 2003 and is powered by two General Electric 7FA gas turbines, with two heat recovery steam generators (HRSGs) providing steam to a General Electric D11 steam turbine. The target capture amount is 4,000 tonnes CO 2 /day for use in either enhanced oil recovery or dedicated geological saline storage located on CRC property at or nearby EHPP. This CO 2 is captured from a combination of the CO 2 emitted from the flue gas from EHPP and the flue gas generated from a natural gas-fired auxiliary boiler that supplies steam to the EFG+ process.

03 NATURAL GAS↗
DOE OSTI2023

2.2.3.106 - Lignin-First Biorefinery Development

The Lignin-First Biorefinery Development (LigFirst) project aims to develop a cost-effective, and scalable biomass fractionation strategy based on reductive catalytic fractionation (RCF). The RCF process uses a protic solvent, hydrogen gas or a hydrogen donor, and a metal catalyst in the presence of intact biomass to produce a stable, depolymerized lignin oil and a polysaccharide pulp, which can both be converted to value-added products in parallel processes. RCF is a promising strategy to enable the use of woody feedstocks in biochemical conversion processes and is also promising as a means to valorize lignin with equal emphasis to biomass carbohydrates. Guided by techno-economic analysis and life cycle assessment and in collaboration with industry partners, we are actively developing RCF methods to 1) avoid the need for exogenous hydrogen gas, 2) substantially reduce reactor pressure via use of low vapor pressure solvents, 3) separate the lignin solvolysis and catalytic processes through reaction engineering solutions, 4) reduce solvent loading below what can be achieved in typical batch reactors, and 5) avoid or minimize the use of organic solvents. The LigFirst project also collaborates closely with the Lignin Utilization and Lignin Conversion-to-SAF projects for critical substrate handoffs and analytics. Overall, the LigFirst project is enabling new approaches that ultimately can enable RCF to be a feedstock-agnostic method to valorize both polysaccharides and lignin.

BIOMASS FUELS↗
DOE OSTI2020

A Collection of More than 900 Gas Mixture Adsorption Experiments in Porous Materials from Literature Meta-Analysis

Information on mixture adsorption equilibrium is vital in developing adsorption-based separation processes. Because measuring mixture adsorption is more difficult than measuring single-component adsorption, far more data of the latter kind are available. Previous efforts to compile experimental mixture adsorption data for gases have given data sets with at most a few dozen examples. Here, we report the results of systematic literature meta-analysis that produced a data set of more than 900 gas mixture adsorption experiments. This collection includes data from 125 different binary mixtures including 60 different molecular species and information from 333 different adsorbents. We refer to this data set as the Binary adsorption ISOtherm ExperimeNtal 2020 (BISON-20) Database. Because the BISON-20 data set enormously expands the number and variety of experimental results for binary gas adsorption that are readily available, it will be a useful resource for future efforts in developing new materials or processes for gas separations. As initial applications of the BISON-20 data set, we show how identifying replicate measurements can be used to assess the reliability of binary adsorption data, how the accuracy of Ideal Adsorbed Solution Theory (IAST) can be systematically tested using experimental data, and how trends in selectivity for gas separations across many materials can be examined.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Magnetic field influenced electron-impurity scattering and magnetotransport

We formulate a classical theory ($ω_cτ ≲ 1$ with $ω_c$ as the cyclotron frequency and $\tau$ as the relaxation time) to study the influence of perpendicular magnetic field on the electron-impurity scattering process in two-dimensional electron gas. To describe the curved incoming and outgoing trajectories, we introduce a general recipe based on an abstraction of the actual impurity scattering process to define the scattering parameters such as the incoming and outgoing momentum and coordinate jump. In this picture, we can conveniently describe the skew scattering and coordinate jump, which will eventually modify the Boltzmann equation. In this work, we find an anomalous Hall resistivity different from the conventional Boltzmann-Drude result and a negative magnetoresistivity as a parabolic function of magnetic field. The origin of these results is analyzed. The relevance between our theory and recent simulation and experimental works is also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Design, Development, and Operation of an Integrated Fluidized Carbon Capture Unit Using Polyethylenimine Sorbents

In this paper, we present the design, development, and operation of a reactor system for CO 2 capture. Modifications were implemented to address differences in sorbent from 180 μm Geldart group B to 115 μm Geldart group A material; operational issues were discovered during experimental trials. The major obstacle in system operation was the ability to maintain a constant circulation of a solid sorbent stemming from this change in sorbent material. The system consisted of four fluid beds, through which a polyamine impregnated sorbent was circulated and adsorption, preheat, regeneration, and cooling processes occurred. Pressure transducers, thermocouples, gas flow meters, and gas composition instrumentation were used to characterize thermal, hydrodynamic, and gas adsorption performance in this integrated unit. A series of shakedown tests were performed and the configuration altered to meet the needs of the sorbent performance and achieve desired target capture efficiencies. Methods were identified, tested, and applied to continuously monitor critical operating parameters including solids circulation rate, adsorbed and desorbed CO 2 , solids inventories, and pressures. The working capacity and CO 2 capture efficiency were used to assess sorbent performance while CO 2 closure was used to define data quality and approach to steady-state. Testing demonstrated >90% capture efficiencies and identified the regenerator to be the process step limiting throughput. Sorbent performance was found to be related to the reactant stoichiometry. Finally, a stochastic model with an exponential dependence on the relative CO 2 /amine concentration was used to describe 90% of the variance in the data.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2019

Effect of Through-Thickness Friction Stir Processing Parameters on Weld Repair and Modification of Fusion-Welded AA6061 Aluminum Alloy

Through-thickness friction stir processing was successfully carried out for microstructure modification and elimination of fusion defects of the gas metal arc welds by applying the process on as-welded joints. Variation in rotational speed from 750 to 1050 rpm and traveling speed from 50 to 200 mm/min resulted in minor changes (approximately 1 µm) in the grain size of nugget zone, while this variation in elongation result was up to 40%. The hardness profile, the width of softening zone, minimum hardness and fracture location also changed for different processing conditions. Furthermore, the defects were vanished efficiently across the welds profile by this method. The results also verified the geometric dynamic recrystallization phenomena as a dominant mechanism of microstructural modification.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Improvements on the Diagnostic Residual Gas Analyzer at Wendelstein 7-X

Exhaust gas analysis provides key information on fusion processes, divertor operation, and wall state in fusion experiments and future reactors. The diagnostic residual gas analyzer (DRGA) concept has been developed for ITER with a focus on fast helium and hydrogen isotope detection. The first operation of the prototype DRGA (P-DRGA) at the stellarator Wendelstein 7-X showed potential for improvement in terms of magnetic sensor shielding, data acquisition automation, and potential new additions to the cluster of sensors on the P-DRGA. More recently, a Monte Carlo simulation of the flow of the mixed gas species effluent from the pressure-reducing orifice, down to about 8-m sampling tube and into the analysis region of the sensors, has been found to generally agree with previous calculations and measurements but revealed potential back-streaming effects for light gases, with impact on detection limits both for the prototype and for the ITER DRGA currently in design. For the upcoming campaign of the prototype, an enhanced soft iron shield will safeguard the gauges against magnetic stray field influence. The newly introduced shielding has been tested for its effect on magnetic stray fields and found to reduce the inside residual field by about two orders of magnitude.

Schlisio, G↗
DOE OSTI2021

Remote methane sensor for emissions from pipelines and compressor stations using chirped-laser dispersion spectroscopy

Leak rates of methane (CH 4 ) from the natural gas supply chain result in lost profit from unsold product, public safety and property concerns due to potential explosion hazards, and a potentially large source of economic damages from legal liabilities. Yet large measurement challenges exist in identifying and quantifying CH 4 leak rates along the vast number and type of components in the natural gas supply chain. This is particularly true of the “midstream” components involved in the gathering, processing, compression, transmission, and storage of natural gas. This project developed and deployed new advances in chirped laser dispersion spectroscopy (CLaDS) to detect methane leaks from pipelines, compressor stations, and other midstream infrastructure from a remote position (standoff detection). The system was deployed from a van to measure fugitive methane leaks from a local compressor station as a proof-of-concept. The technique was validated through mobile laboratory measurements with in-situ sensors as well as controlled releases of methane. The system also mapped a plume from a controlled release of methane by tracking a small unmanned aerial system (sUAS) that carried a corner cube retroreflector which reflected the beam back to the instrument. The drone-based system quantified a leak rate to within 30% of the actual rate and localized the emission location within 5 m of the actual release location at standoff distances of 25-45 m. This sUAS-reflector tracking approach has benefits for mapping leak locations remotely using small drones flying around a facility. Benefits of a commercial sensor with these capabilities include reductions of leaks for pipeline operators (more profit), earlier detection of leaks to avoid catastrophic explosion hazards for public health and to mitigate property damage, and reduced methane emissions to the atmosphere (improving air quality).

03 NATURAL GAS↗