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1,231 records · Page 69
All sourcesNASA NTRSDOE OSTI
NASA NTRS2023

Launch Complex 39B, SWMU 009 Air Sparging System Expansion Implementation Work Plan Kennedy Space Center, Florida

This Implementation Work Plan (IWP) for expansion of the Air Sparging (AS) system at Launch Complex 39B (LC39B), presents the design and coordination specifics to expand the existing AS Interim Measure (IM) at LC39B located at Kennedy Space Center (KSC), Florida. The existing AS system at LC39B was installed in 2017 and included 279 AS wells. LC39B has been designated as Solid Waste Management Unit (SWMU) 009 under the KSC Resource Conservation and Recovery Act (RCRA) Corrective Action Program. Expansion of the AS IM will include installation of an additional five AS wells to depths of approximately 13 and 17 feet below land surface (bls) to remediate contaminated groundwater identified northwest of the launch pad, near the liquid oxygen (LOX) tank. The expansion will target concentrations of cis-1,2-dichloroethene (cDCE) and vinyl chloride (VC) greater than Florida Department of Environmental Protection (FDEP) Natural Attenuation Default Concentrations (NADCs) that were identified during direct push technology (DPT) sampling events between 2019-2022 in shallow intervals between 8 and 16 feet bls. The objective for this expansion is to remediate contaminated groundwater within the treatment zone to below NADCs to support transition to monitored natural attenuation (MNA) through a long-term monitoring (LTM) program. This expansion will treat approximately 0.07-acres of residual groundwater contamination. The IWP design for this expansion will utilize the existing AS system trailer that is already onsite and operating. The five new AS expansion wells will be integrated into the existing Zone Z4 distribution manifold to deliver compressed air to the new AS wells. To deliver airflow, three existing lateral lines will be split in the field at a lateral split junction point (using 2-way or 3-way splits). Each split lateral will supply air to AS wells at the same depth interval to minimize preferential pathways. The trenching layout for the new AS wells was developed to minimize ground disturbance due to the amount of utilities in the area. One new monitoring well will also be installed and added to LC39B’s performance monitoring program to evaluate the effectiveness of the AS system expansion. This well will be sampled on a semi-annual basis for volatile organic compounds, with results evaluated to determine if system adjustments may be required. The main components of this IWP were presented to the KSC Remediation Team (KSCRT) at the October 2022 Meeting (Meeting 2210-M05). DPT delineation data from the LOX area were also presented, which included some inferred boundaries due to physical restrictions of the LOX tank and associated concrete pad and infrastructure. Planned monitoring well sampling in this area will help determine if back-diffusion may be occurring from beneath the pad. Additionally, based on potential petroleum odors and staining identified at two DPT locations during the January 2022 DPT event in the 10-16 feet bls range, a KSCRT action item was assigned during the October 2022 meeting to collect soil samples for petroleum compounds if similar odors or staining are identified during IM implementation. Construction completion and performance monitoring will be incorporated into LC39B’s groundwater monitoring reports, which are currently submitted on an annual basis to FDEP to document operation and maintenance activities and results from the AS IM.

Deborah M. Wilson↗
DOE OSTI2023

Biochemical Process Modeling and Simulation (BPMS)

The Biochemical Process Modeling and Simulation project aims to reduce the cost and time of research by applying theory, modeling, and simulation to the most relevant bottlenecks in the biochemical process. We use molecular modeling, quantum mechanics, metabolic modeling, fluid dynamics, and reaction-diffusion methods in close collaboration with pretreatment, hydrolysis, upgrading, and TEA. The project's outcomes are increased yields and efficiency of the biochemical process, added value to products, and reduced price of fuels by specifically targeting catalytic efficiency, reactor design, enzyme efficiency, and microbial design. We work closely with experimental projects to identify problems and iterate with experiments to find and refine solutions. By working with experimentalists, we decide on problems that can be solved with simulation that could otherwise not be solved or would take too long with experiment alone to reach BETO's targets. Over the years, we have produced solutions that have resulted in determining the most likely fatty-acid derivative for passive transport out of bacteria that upgrade biomass, and we have also designed enzyme mutations for enhanced lignin upgrading. Metabolic models have been developed to tune the activity of 2,3 butanediol production for the 2030 target. A computational method to deliver understanding of how complex omics data can be interpreted in the metabolic pathways of organisms used in the Agile Biofoundry. We have found methods to overcome specific barriers and continue to develop those methods. Our reactor studies have guided the design of both the microbes and reactors for aerobic and micro-aerobic production at all scales and have been instrumental in improving the accuracy of techno-economic analysis models. This project is essential in the process of selecting the final processes for 2030 SAF production targets. More specifically, recently, we have: 1) Predicted the strength of the basic structural interactions in commodity plastics to provide guidance for plastics upcycling strategies. 2) Developed computational tool to improve the characterization of lignin-derived compounds 3) Developed new methodologies to enable Machine Learning-based Directed Evolution for protein engineering. 4) Developed Machine Learning methods to predict protein promiscuity and mutations to further improve microbial and enzymatic driven processes and demonstrated the utility of ML approaches to engineering proteins from sparse experimental datasets. 5) Developed new methods to enable high-fidelity simulation of aerobic fermentation at industrial scale and resolving mismatch of time scales through subcycling/operator splitting 7) Identified the difficulty in preventing local high-oxygen conditions in industrial bubble columns, which leads to less-desirable acetoin production, suggesting future research directions in alternative reactor configurations (e.g loop reactors, shallow-channel reactors).

BIOMASS FUELS↗
NASA NTRS2002

A quantitative comparison of simultaneous BOLD fMRI and NIRS recordings during functional brain activation

Near-infrared spectroscopy (NIRS) has been used to noninvasively monitor adult human brain function in a wide variety of tasks. While rough spatial correspondences with maps generated from functional magnetic resonance imaging (fMRI) have been found in such experiments, the amplitude correspondences between the two recording modalities have not been fully characterized. To do so, we simultaneously acquired NIRS and blood-oxygenation level-dependent (BOLD) fMRI data and compared Delta(1/BOLD) (approximately R(2)(*)) to changes in oxyhemoglobin, deoxyhemoglobin, and total hemoglobin concentrations derived from the NIRS data from subjects performing a simple motor task. We expected the correlation with deoxyhemoglobin to be strongest, due to the causal relation between changes in deoxyhemoglobin concentrations and BOLD signal. Instead we found highly variable correlations, suggesting the need to account for individual subject differences in our NIRS calculations. We argue that the variability resulted from systematic errors associated with each of the signals, including: (1) partial volume errors due to focal concentration changes, (2) wavelength dependence of this partial volume effect, (3) tissue model errors, and (4) possible spatial incongruence between oxy- and deoxyhemoglobin concentration changes. After such effects were accounted for, strong correlations were found between fMRI changes and all optical measures, with oxyhemoglobin providing the strongest correlation. Importantly, this finding held even when including scalp, skull, and inactive brain tissue in the average BOLD signal. This may reflect, at least in part, the superior contrast-to-noise ratio for oxyhemoglobin relative to deoxyhemoglobin (from optical measurements), rather than physiology related to BOLD signal interpretation.

Non-NASA Center↗
DOE OSTI2022

Supported molybdenum oxides for the aldol condensation reaction of acetaldehyde

The (retro-)aldol condensation reaction is an important chemical transformation in the upgrading of biomass-derived compounds into fuels and valuable specialty chemicals. In this study, we found that supported molybdenum oxide (MoO x ) catalysts were active and selective for the aldol condensation of acetaldehyde to crotonaldehyde under steady-state reactor conditions. Through a combination of transmission electron microscopy (TEM), ultraviolet–visible (UV–VIS) diffuse reflectance spectroscopy, Fourier transform infrared (FTIR) spectroscopy of adsorbed pyridine, and steady-state reactor testing, we determined that highly dispersed MoO x has a strong interaction with a γ-Al 2 O 3 support resulting in optimal catalyst performance at low weight loadings. In contrast, MoO x particles supported on SiO 2 have a weaker interaction with the support, resulting in a monotonic relationship between Mo loading and aldol condensation activity. The Lewis acid site density and strength are important parameters for predicting aldol condensation activity across all samples. The concentration of weak acid sites had a poor correlation with aldol condensation activity, most likely because these sites are too weak to activate acetaldehyde for the reaction. Medium and strong acid sites both had good correlations to aldol condensation activity. Results from X-ray absorption near edge structure (XANES) and acetaldehyde temperature programmed desorption (TPD) indicated that partially reduced MoO x was more active for aldol condensation, but pretreatment in reducing or oxidizing environments had no significant effect on steady-state catalytic activity. Finally, characterization of spent catalyst samples through temperature programmed oxidation (TPO) and thermogravimetric analysis (TGA) revealed that catalysts with high densities of strong acid sites tended to form more carbonaceous deposits on the surface over the course of the reaction.

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

Development of Corrosion- and Erosion-Resistant Coatings for Advanced Ultra-Supercritical Materials

This final report summarized the research efforts and major findings of the Phase I Project “Development of Corrosion- and Erosion-Resistant Coatings for Advanced Ultra-Supercritical Materials”, for the period of October 1, 2019 – Sept. 30, 2021. This project is a collaborative endeavor between Tennessee Tech University, Purdue University, Oak Ridge National Laboratory, Siemens Corporation, and Eastern Plating, LLC, aiming at improving the durability and lifetime of high-pressure (HP) steam turbine blades in advanced ultra-supercritical (A-USC) coal-fired power plants through the development of corrosion/erosion-resistant coatings manufactured via a low-cost electrolytic codeposition process. While Tribaloy alloy T-400C was identified by the U.S. A-USC Materials Consortium as a promising coating composition, further composition optimization is needed to enhance its corrosion and erosion resistance for protecting the A-USC Ni-base turbine components. An integrated computational and experimental approach was employed to optimize coating composition/microstructure and processing parameters. In order to identify candidate coating compositions that could offer balanced properties, thermodynamic calculations were performed to explore the γ+Laves composition space in the Co-Ni-Cr-Mo-Si system with different alloying additions at 600-800 °C. Guided by the calculation results, experimental assessment of selected alloys led to the development of a new generation of Tribaloy compositions with the optimal levels of Cr, Mo and Si, reactive element (e.g., 0.4-0.6 wt.% Y) and other alloying additions. The low-cost and non-line-of-sight electro-codeposition process was employed to deposit a Ni(Co)-CrMoSiY composite coating on commercial Haynes 282 (H282) Ni-base alloy. A diffusion treatment was subsequently applied to convert the composite to the Tribaloy-type coating. Both the codeposition parameters and heat treatment conditions were varied to achieve the desired coating composition, microstructure and phase constituents. In addition, since additive manufacturing (AM) may be an alternative cost-saving option for potential A-USC turbine repair, laser direct deposition was explored to fabricate the H282 alloy with minimal defects. The electro-codeposited Tribaloy coating was also applied to the AM H282 substrate to demonstrate the viability of the coating process in improving the surface finish of AM alloys. Both high-temperature oxidation performance and solid particle erosion (SPE) resistance of model alloys and electro-codeposited coatings were evaluated. About 25 model alloys with various Cr/Mo ratios and reactive element levels, as well as partial substitution of Mo with Nb were evaluated with regard to their oxidation resistance in both air and pure steam at 760-800°C. Compositions based on Ni(Co)-20Cr-18Mo-2.6Si-0.6Y (wt.%) showed significantly improved oxidation resistance over the baseline T400-C. Based on the alloy development results, three generations of new Tribaloy coatings (Gen-1, Gen-2, and Gen-3) with various Mo/Cr contents and Y levels were prepared via electro-codeposition and their microstructure/performance were evaluated. Outstanding air and steam oxidation resistance was achieved for the Gen-2 and Gen-3 coatings. Furthermore, while the SPE resistance of the coatings depended on many factors such as temperature, environment, erodent, velocity and impact angle, the coated samples exhibited similar or better SPE resistance compared to the H282 substrate when magnetite was used as erodent (which is a realistic erodent in A-USC steam turbines). The new Tribaloy coatings also had good long-term compatibility with the H282 alloy substrate. The two large-sized rotating barrels were designed, constructed, and employed to coat dummy HP blades. Uniform coating thickness and microstructure were achieved at various blade locations. Also, a preliminary techno-economic analysis of the proposed coating process was conducted to quantify the cost-effectiveness and to assess the commercial viability of the corrosion- and erosion-resistant coatings. It is estimated that a cost reduction of ~30% could be achieved with the electro-codeposition coating process over the state-of-the-art high velocity oxygen fuel (HVOF) thermal spray. Compared to the leading Tribaloy coating technologies such as HVOF and plasma transfer alloying, electro-codeposition based process has advantages such as low-cost process equipment, uniform deposition even for complex shapes, low levels of contaminants/porosities, reduction of powder waste, and potentially better surface finish and longer turbine service life. The Phase 1 study has demonstrated that it is feasible to develop an electro-codeposited Tribaloy coating with balanced corrosion and erosion properties, even though additional research efforts such as further coating process scale-up and longer-term performance evaluation under realistic A-USC conditions are clearly needed.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS1995

Electrolyte management considerations in modern nickel hydrogen and nickel cadmium cell and battery designs

In the early 1980's the NASA Lewis group addressed the topic of designing nickel hydrogen cells for LEO applications. As published in 1984, the design addressed the topics of gas management, liquid management, plate expansion, and the recombination of oxygen during overcharge. This design effort followed principles set forth in an earlier Lewis paper that addressed the topic of pore size engineering. At about that same time, the beneficial effect on cycle life of lower electrolyte concentrations was verified by Hughes Aircraft as part of a Lewis funded study. A succession of life cycle tests of these concepts have been carried out that essentially verified all of this earlier work. During these past two decades, some of the mysteries involved in the active material of the nickel electrode have been resolved by careful research efforts carried out at several laboratories. At The Aerospace Corporation, Dr. Zimmerman has been developing a sophisticated model of an operating nickel hydrogen cell which will be used to model certain mechanisms that have contributed to premature failures in nickel hydrogen and nickel cadmium cells. During the course of trying to understand and model abnormal nickel hydrogen cell behaviors, we have noted that not enough attention has been paid to the potassium ion content in these cells, and more recently batteries. Several of these phenomenon have been well known in the area of alkaline fuel cells, but only recently have they been examined as they might impact alkaline cell designs. This paper will review three general areas where the potassium ion content can impact the performance and life of nickel hydrogen and nickel cadmium devices, Once these phenomenon are understood conceptually, the impact of potassium content on a potential cell design can be evaluated with the aid of an accurate model of an operating cell or battery. All three of these areas are directly related to the volume tolerance and pore size engineering aspects of the components used in the cell or battery design: (1) The gamma phase uptake of potassium ion can result in a lowering of the electrolyte concentration. This leads to a higher electrolyte resistance as well as electrolyte diffusional limitations on the discharge rate. This phenomenon will also impact the response of the cell to a reconditioning cycle. (2) The impact of low level shunt currents in multi-cell con figurations will result in the movement of potassium ion from one part of the battery to another. This will impact the electrolyte volume/vapor pressure relationships within the cell or battery. (3) The transport of water vapor from place to place under the driving force of a tempetature gradient has already impacted cells for the case where water vapor is condensed on a colder cell wall. The paper will explore the convective and diffusive movement of gases saturated with water vapor from a warmer plate pack to a cooler one - both with and without liquid communication.

Thaller, L. H.↗
DOE OSTI2025

Optical properties of vacancies in aluminum oxide (𝛼−Al 2 ⁢O 3 ) from first principles

We employ first-principles calculations based on hybrid density functional theory to investigate the structural and optical properties of the oxygen vacancy (𝑉 O ) and aluminum vacancy (𝑉 Al ) in 𝛼−Al 2 ⁢O 3 , the most stable (corundum) phase of alumina. Our calculations facilitate the identification of experimental excitation and luminescence spectra with specific electronic transitions at the vacancy sites. The absorption line shape for excitation of an electron at 𝑉$^0_O$ to the conduction-band minimum (CBM) is in excellent agreement with the 6.1 eV band detected by optical absorption spectroscopy, and we find that the 5.9 eV absorption band is generated by an internal electron transition at 𝑉$^0_O$. We confirm that the slowly decaying 3.0 eV emission band of the 𝐹 center is due to a triplet-singlet transition at 𝑉$^0_O$. Our calculations also reveal that the 4.8 eV/5.4 eV absorption and 3.8 eV emission bands assigned to the 𝐹 + center are generated by internal transitions at 𝑉$^{+1}_O$. The line shape for the excitation of an electron from 𝑉$^{+1}_O$ to the CBM agrees well with an absorption band at 6.4 eV, while the recombination of an electron with 𝑉$^{+2}_O$ also produces luminescence around 3.8 eV, but with a considerably broader line shape. For Al vacancies, we confirm that the most prevalent configuration in 𝛼−Al 2 ⁢O 3 is a split-vacancy configuration 𝑉 Al,s , and we calculate migration barriers for different directions in the corundum crystal. We predict absorption and emission spectra for the excitation and recombination of an electron localized at 𝑉$^{−3}_{Al}$ and 𝑉$^{−3}_{Al,s}$ sites with the CBM. The line shapes of the two 𝑉 Al configurations overlap and are considerably broader than the spectra corresponding to 𝑉 O .

36 MATERIALS SCIENCE↗