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NASA NTRS2004

Novel Biomedical Device Utilizing Light-Emitting Nanostructures Developed

Sketches and chemical diagrams of state-of-the-art device and novel proposed device are presented. Current device uses a diode laser that emits into a fluorescent fluid only one wavelength and a photodetector diode that detects only one wavelength. Only one type of bacteria can be detected. The proposed device uses a quantum dot array that emits into a fluorescent fluid multiple wavelengths and an NIR 512 spectrometer that scans 0.8- to 1.7-mm wavelengths. Hundreds of different bacteria and viruses can be detected. A novel biomedical device is being developed at the NASA Glenn Research Center in cooperation with the University of Michigan. This device uses nano-structured quantum dots that emit light in the near-infrared (IR) region. The nanostructured quantum dots are used as a source and excite fluorochrome polymers coupled with antibodies that seek out and attach to specific bacteria and viruses. The fluorochrome polymers/antibodies fluoresce at specific wavelengths in the near-IR spectrum, but these wavelengths are offset from the excitation wavelength and can be detected with a tunable spectrometer. The device will be used to detect the presence of viruses and bacteria in simple fluids and eventually in more complex fluids, such as blood. Current state-of-the-art devices are limited to single bacteria or virus detection and a considerable amount of time and effort is required to prepare samples for analysis. Most importantly, the devices are quite large and cumbersome, which prohibits them from being used on the International Space Station and the space shuttles. This novel device uses nanostructured quantum dots which, through molecular beam epitaxy and highly selective annealing processes, can be developed into an illumination source that could potentially generate hundreds of specific wavelengths. As a result, this device will be able to excite hundreds of antibody/fluorochrome polymer combinations, which in turn could be used to detect hundreds of bacteria and viruses in fluids. A novel sample preparation technique that exploits micromembrane filtration and centrifugation methods has been developed for this device. The technique greatly reduces the time required to prepare the sample and the amount of sample needed to perform an accurate and comprehensive analysis. Last, and probably most important, because of the nano-light-emitting source and the novel sample preparation technique, the overall size of the device could be reduced dramatically. This device will serve as a nanoscale lab-on-a-chip for in situ microorganism detection and will enable tests to be performed on a time scale of minutes rather than days. Thus, it is ideally suited for monitoring the environmental conditions onboard the International Space Station and the space shuttles, thereby enhancing the safety of the astronauts. In addition, the device has important commercial applications, such as detecting the presence of bacteria and viruses in water at food- and beverage-processing centers, water treatment plants, and restaurants. Also, this technology has the potential to be used to detect bacteria and viruses in more complex fluids, such as blood--which in all likelihood would revolutionize blood analysis as it is performed today. This project was made possible through the Director's Discretionary Fund and is ongoing. In addition, this project provides funding to Dr. Rachel Goldman of the University of Michigan for the research and development of nanostructured quantum dots.

Scardelletti, Maximilian C.↗

NASA NTRS2015

Low Cost Upper Stage-Class Propulsion (LCUSP)

NASA is making space exploration more affordable and viable by developing and utilizing innovative manufacturing technologies. Technology development efforts at NASA in propulsion are committed to continuous innovation of design and manufacturing technologies for rocket engines in order to reduce the cost of NASA's journey to Mars. The Low Cost Upper Stage-Class Propulsion (LCUSP) effort will develop and utilize emerging Additive Manufacturing (AM) to significantly reduce the development time and cost for complex rocket propulsion hardware. Benefit of Additive Manufacturing (3-D Printing) Current rocket propulsion manufacturing techniques are costly and have lengthy development times. In order to fabricate rocket engines, numerous complex parts made of different materials are assembled in a way that allow the propellant to collect heat at the right places to drive the turbopump and simultaneously keep the thrust chamber from melting. The heat conditioned fuel and oxidizer come together and burn inside the combustion chamber to provide thrust. The efforts to make multiple parts precisely fit together and not leak after experiencing cryogenic temperatures on one-side and combustion temperatures on the other is quite challenging. Additive manufacturing has the potential to significantly reduce the time and cost of making rocket parts like the copper liner and Nickel-alloy jackets found in rocket combustion chambers where super-cold cryogenic propellants are heated and mixed to the extreme temperatures needed to propel rockets in space. The Selective Laser Melting (SLM) machine fuses 8,255 layers of copper powder to make a section of the chamber in 10 days. Machining an equivalent part and assembling it with welding and brazing techniques could take months to accomplish with potential failures or leaks that could require fixes. The design process is also enhanced since it does not require the 3D model to be converted to 2-D drawings. The design and fabrication process can be sped up and improved with fewer errors to be accomplished in weeks instead of months.

Vickers, John↗

DOE OSTI2025

Cost impact of hexose-to-pentose sugar ratios for biomanufacturing

Central to the long-term vision for biomanufacturing is the ability to deconstruct plant cell walls to sugars that microbes can convert to products. Aside from glucose, the most abundant sugar in biomass is xylose, a pentose sugar. Industrially relevant microbes have been engineered to co-ferment xylose and glucose. Most nth plant technoeconomic analyses (TEAs) assume similar consumption rates and product yields for both sugars, but in reality, xylose is consumed more slowly. Feedstocks can be selected, or engineered, to alter the glucan-to-xylan ratio (GXR) but no TEAs have quantified the impact of this strategy systematically. This study explores the cost impacts of varying the glucan-to-xylan ratio (GXR) from 1.9 to 6.7 for co-fermenting glucose and xylose to ethanol and bisabolene. The minimum selling prices (MSPs) for both products decrease as the GXR increases, with the largest reductions at shorter residence times. For instance, with an increase in GXR from 1.9 to 6.7, ethanol’s MSP drops by 16 %, 5 %, and 3 % at 24, 72, and 144 h, respectively, while bisabolene’s MSP declines by 23 %, 20 %, and 15 % at 24, 72, and 120 h. Particularly for early-stage commercialization, the results suggest that altering or selecting for feedstocks with higher GXR can minimize capital costs by reducing optimal residence times. Capital-constrained biorefineries operating with shorter residence times can justify paying up to 1.5X to 2X the price for feedstocks with a higher GXR, based on the expected improvements in their product yield and overall process economics.

Delayed xylose utilization↗

DOE OSTI2022

Decarbonization Scenarios in the United States: Comparing Biofuels Growth in Two Models - GCAM and BSM

Scenarios for deep decarbonization rely on biomass for biofuels, biopower, and bioproducts, often including negative emissions via carbon capture and storage or utilization. Despite the prominence of biomass in many deep decarbonization pathways, critical questions remain about biomass allocation, effects of transportation electrification, the pace of growth, and implications for agriculture and land use. We address these questions through a unique comparison of carbon pricing effects on the growth of biomass utilization and its effects on land use in the United States by comparing results from a multisectoral integrated assessment model, the Global Change Analysis Model [GCAM], with results from a biomass-to-biofuels system dynamics model, the Biomass Scenario Model [BSM]. We contribute to model comparison efforts by analyzing the biomass deployment needed for a scenario consistent with a "Middle of the Road" Shared Socioeconomic Pathway [SSP2] and a representative concentration pathway of 2.6 W/m2. The GCAM scenarios solve for global equilibrium conditions that are consistent with this pathway, including demands for biomass across all economic sectors and representing bioenergy with carbon capture and storage as a technology option. The BSM scenarios assess those biomass and biofuel results for the United States and identify challenges associated with that pace and amount of expansion. In the scenario analysis, we harmonize key factors such as carbon price trajectory, domestic ethanol fuel demand, ethanol blending, and arable land availability, and vary them in both models. In GCAM, we vary the carbon price, transportation electrification, ethanol blending constraints, and arable land availability inputs and the value of the carbon in land; in BSM, in addition to directly inputting certain GCAM results, we vary the maximum rate of biorefinery construction, flexibility of feedstock types across conversion processes, and policy incentives such as tax credits and renewable identification number payments. The selected carbon price trajectory results in a rapid increase in biofuel production in the United States, reaching about 9.4 EJ/year in 2060 in the highest scenario analyzed in GCAM. Results differ between the two models in timing and ultimate quantity of biomass and biofuel production. GCAM biofuel quantities generally exceed BSM amounts because CCS is applied to biofuel pathways in GCAM, and because of differences in capacity expansion and related dynamics of land allocation, biomass production, and price dynamics. These dynamics include rapid biorefinery capacity expansion in high demand cases. To satisfy this biomass demand, GCAM rapidly equilibrates land allocation, but the BSM limits the rate at which this re-allocation can occur. A further contrast with the equilibrium approach in GCAM is that the BSM represents a delay between planting and harvesting woody biomass resources. As a result of these model contrasts, feedstock costs in BSM increase more than in GCAM, and the absence of CCS in the BSM also reduces the relative economic attractiveness of biofuels production. The bottlenecks, lags, and price increases also lead to potential for volatility in feedstock price and land allocation to biomass in the BSM. GCAM has more biomass production than BSM in all scenarios, partly because of the broader, economy-wide coverage of GCAM, in contrast to BSM's exclusive focus on biofuels. In both models, trends like those of biofuels production were observed for biomass production: minimal growth without a carbon price and policy incentives, and increases with a carbon price, particularly with carbon capture and storage, because the inputs assume that biopower and biofuels decrease greenhouse gas emissions. In high policy scenarios, biomass demand is high, and the consequent high biomass prices due to the land re-allocation bottleneck in the BSM limit biofuel production even if the biorefinery capacity is expanded. However, because biomass prices do not increase as much in the low policy scenario, growth is slower and the land-reallocation bottleneck no longer dominates, such that the effect of increased capacity can be seen. Across both the models, a change in assumptions from less to more land availability increases biofuel production in both GCAM and BSM, as the upward pressure on feedstock price and volatility are both reduced.

biofuels↗

DOE OSTI2023

Multiscale simulations reveal TDP-43 molecular-level interactions driving condensation

The RNA-binding protein TDP-43 is associated with mRNA processing and transport from the nucleus to the cytoplasm. TDP-43 localizes in the nucleus as well as accumulating in cytoplasmic condensates such as stress granules. Aggregation and formation of amyloid-like fibrils of cytoplasmic TDP-43 are hallmarks of numerous neurodegenerative diseases, most strikingly present in >90% of amyotrophic lateral sclerosis (ALS) patients. If excessive accumulation of cytoplasmic TDP-43 causes, or is caused by, neurodegeneration is presently not known. In this work, we use molecular dynamics simulations at multiple resolutions to explore TDP-43 self- and cross-interaction dynamics. A full-length molecular model of TDP-43, all 414 amino acids, was constructed from select structures of the protein functional domains (N-terminal domain, and two RNA recognition motifs, RRM1 and RRM2) and modeling of disordered connecting loops and the low complexity glycine-rich C-terminus domain. All-atom CHARMM36m simulations of single TDP-43 proteins served as guides to construct a coarse-grained Martini 3 model of TDP-43. The Martini model and a coarser implicit solvent Cα model, optimized for disordered proteins, were subsequently used to probe TDP-43 interactions; self-interactions from single-chain full-length TDP-43 simulations, cross-interactions from simulations with two proteins and simulations with assemblies of dozens to hundreds of proteins. Our findings illustrate the utility of different modeling scales for accessing TDP-43 molecular-level interactions and suggest that TDP-43 has numerous interaction preferences or patterns, exhibiting an overall strong, but dynamic, association and driving the formation of biomolecular condensates.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

A laboratory-scale process for producing dilithium beryllium tetrafluoride (FLiBe) with dissolved uranium tetrafluoride

Flibe Energy, Incorporated (FEI)'s conceptual Lithium Fluoride Thorium Reactor (LFTR) incorporates a chemical processing facility aimed at recovering uranium and other valuable volatile radionuclides while managing harmful radionuclides from the used fuel. The fuel utilized in this reactor is a combination of dilithium beryllium tetrafluoride (Li 2 BeF 4 or FLiBe) and uranium tetrafluoride (UF 4 ), (FLiBe/U). FEI's plan involves extracting the uranium and other valuable volatile fluoride-forming radionuclides using nitrogen trifluoride (NF 3 ). To facilitate laboratory-scale testing of uranium extraction using NF 3 and address the toxicity and physical hazards associated with beryllium and beryllium fluoride (BeF 2 ), we used a two-step process to prepare the simulated fuel salt. The first step entailed thermally decomposing ammonium beryllium tetrafluoride [(NH 4 ) 2 BeF 4 ] (ABeF) through a nominal 3-step process, combined with appropriate amounts of lithium fluoride (LiF) and UF 4 , resulting in the formation of beryllium fluoride (BeF 2 ). In the second step, the mixture was repeatedly melted and frozen at the melting point of FLiBe to prepare the eutectic FLiBe with dissolved UF 4 . Although the concept appears straightforward, the production of FLiBe/U involved various challenges. These challenges included transporting the gaseous decomposition products of ABeF, hydrogen fluoride (HF) and ammonia (NH 3 ), while preventing the formation of ammonium fluoride (NH 4 F). Additionally, it was necessary to control the reaction between the higher-than-anticipated water content in the commercial ABeF with NH 3 , HF, and the condensed NH 4 F, protect UF 4 from forming an unknown black compound, select suitable structural materials to mitigate fluoride corrosion, address the risks associated with beryllium toxicity through equipment design and operational protocols, and monitor process conditions. This article provides an account of the thermal decomposition chemistry observed in the commercial ABeF, describes the FLiBe/U production apparatus, describes the experiences and process refinements developed to prepare FLiBe/U, and presents our characterizations of prepared FLiBe/U.

Ammonium beryllium fluoride thermal decomposition↗

DOE OSTI2022

Region-adaptive, Error-controlled Scientific Data Compression using Multilevel Decomposition

The increase of computer processing speed is significantly outpacing improvements in network and storage bandwidth, leading to the big data challenge in modern science, where scientific applications can quickly generate much more data than that can be transferred and stored. As a result, big scientific data must be reduced by a few orders of magnitude while the accuracy of the reduced data needs to be guaranteed for further scientific explorations. Moreover, scientists are often interested in some specific spatial/temporal regions in their data, where higher accuracy is required. The locations of the regions requiring high accuracy can sometimes be prescribed based on application knowledge, while other times they must be estimated based on general spatial/temporal variation. In this paper, we develop a novel multilevel approach which allows users to impose region-wise compression error bounds. Our method utilizes the byproduct of a multilevel compressor to detect regions where details are rich and we provide the theoretical underpinning for region-wise error control. With spatially varying precision preservation, our approach can achieve significantly higher compression ratios than single-error bounded compression approaches and control errors in the regions of interest.We conduct the evaluations on two climate use cases – one targeting small-scale, node features and the other focusing on long, areal features. For both use cases, the locations of the features were unknown ahead of the compression. By selecting approximately 16% of the data based on multi-scale spatial variations and compressing those regions with smaller error tolerances than the rest, our approach improves the accuracy of post-analysis by approximately 2 × compared to single-error-bounded compression at the same compression ratio. Using the same error bound for the region of interest, our approach can achieve an increase of more than 50% in overall compression ratio.

Gong, Qian↗

NASA NTRS1994

Suitability of Gray Water for Hydroponic Crop Production Following Biological and Physical Chemical and Biological Subsystems

The water present in waste streams from a human habitat must be recycled in Controlled Ecological Life Support Systems (CELSS) to limit resupply needs and attain self-sufficiency. Plants play an important role in providing food, regenerating air, and producing purified water via transpiration. However, we have shown that the surfactants present in hygiene waste water have acute toxic effects on plant growth (Bubenheim et al. 1994; Greene et al., 1994). These phytotoxic affects can be mitigated by allowing the microbial population on the root surface to degrade the surfactant, however, a significant suppression (several days) in crop performance is experienced prior to reaching sub-toxic surfactant levels and plant recovery. An effective alternative is to stabilize the microbial population responsible for degradation of the surfactant on an aerobic bioreactor and process the waste water prior to utilization in the hydroponic solution (Wisniewski and Bubenheim, 1993). A sensitive bioassay indicates that the surfactant phytotoxicity is suppressed by more than 90% within 5 hours of introduction of the gray water to the bioreactor; processing for more than 12 hours degrades more than 99% of the phytotoxin. Vapor Compression Distillation (VCD) is a physical / chemical method for water purification which employees sequential distillation steps to separate water from solids and to volatilize contaminants. The solids from the waste water are concentrated in a brine and the pure product water (70 - 90% of the total waste water volume depending on operating conditions) retains non of the phytotoxic effects. Results of the bioassay were used to guide evaluations of the suitability of recovered gray water following biological and VCD processing for hydroponic lettuce production in controlled environments. Lettuce crops were grown for 28 days with 100% of the input water supplied with recovered water from the biological processor or VCD. When compared with the growth of plants in control hydroponic solution containing pure deionized water, no growth difference could be measured resulting from any of the recovered water treatments. Both biological treatment and VCD offer alternative technology approaches to recovering water from waste streams appropriate for input into a crop production system. A high level of crop performance (food, air, and water production) can be maintained with either processor; selection decisions can be based on other factors regarding system integration.

Bubenheim, David L.↗

NASA NTRS2015

Resource Prospector (RP) - Early Prototyping and Development

The Resource Prospector (RP) is an In-Situ Resource Utilization (ISRU) technology demonstration mission under study by the NASA Human Exploration and Operations Mission Directorate's (HEOMD) Advanced Exploration Systems (AES) Division. The mission, currently planned to launch in 2020, will demonstrate extraction of oxygen from lunar regolith to validate ISRU capability. The mission will address key Strategic Knowledge Gaps (SKGs) for robotic and human exploration to the Moon, Near Earth Asteroids (NEAs), and ultimately Mars, as well as meet the strategic goals of the Global Exploration Roadmap (GER), offered by the International Space Exploration Coordination Group (ISECG). In this roadmap, the use of local resources is specifically addressed relating to human exploration. RP will provide knowledge to inform the selection of future mission destinations, support the development of exploration systems, and reduce the risk associated with human exploration. Expanding human presence beyond low-Earth orbit to asteroids and Mars will require the maximum possible use of local materials, so-called in-situ resources. The moon presents a unique destination to conduct robotic investigations that advance ISRU capabilities, as well as providing significant exploration and science value. Lunar regolith contains useful resources such as oxygen, water, silicon, and light metals, like aluminum and titanium. Oxygen can be separated from the regolith for life support (breathable air), or used to create rocket propellant (oxidizer). Regolith can be used to protect against radiation exposure, be processed into solar cells, or used to manufacture construction materials such as bricks and glass. RP will characterize the constituents and distribution of water and other volatiles at the poles of the Moon, enabling innovative uses of local resources, in addition to validating ISRU capabilities. This capability, as well as a deeper understanding of regolith, will be valuable in the exploration of near-Earth asteroids (NEAs) and Mars. In order to reduce risk and explore system designs, the RP project is attempting two-fold approaches to development as it looks towards flight. We continue to explore flight planning, requirements, and interfaces definition by using Engineering Test Units (ETUs), looking towards lunar deployment, while also using fiscal year 2015 to develop, build and test an earth-terrestrial prototype rover and payload system. This terrestrial prototype, called "RP15", is built to both inform the system design, and to be a partnership advocacy tool for this unique mission. RP15 must be affordable within the resource and time constraints of fiscal year 2015, while working to the following Needs, Goals, and Objectives provided by HEOMD/AES: 1. Demonstrate rover mobility in a 1g environment 2. The Surface Segment (prototype rover + payload system) shall represent the flight system concept with as much fidelity as affordable (limited by cost and schedule) - Surface Segment shall be the approximate size/dimension/footprint -Surface Segment shall package all the expected devices (instruments, systems, etc.), even if some facets are mocked-up due to time/cost constraints -Overall Surface Segment fidelity negotiable to make achievable 3. Priority should be given to illustrating mission functionality over support functionality, which exists solely to support mission functionality This paper will provide an overview of RP project developments, including the design and build, capturing the development and initial integrated testing of RP15 in relevant environments.

Lunar↗

DOE OSTI2020

Persistence and Plasticity in Conifer Water–Use Strategies

The selective use of seasonal precipitation by vegetation is critical to understanding the residence time and flow path of water in watersheds, yet there are limited datasets to test how climate alters these dynamics. Here, we use measurements of the seasonal cycle of tree ring δ 18 O for two widespread conifer species in the Rocky Mountains of North America to provide a multi-decadal depiction of the seasonal origins of forest water use. The results show that while the conifer tree stands had a dominant preference for use of snowmelt, there were multi-annual periods over the last four decades when use of summer precipitation was preferential. Utilization of summer rain emerged during years with increased snowfall and tree growth, suggesting that summer rain enhanced the transpiration stream only during the periods of highest water use. We hypothesize this could be explained through shallowing of the root profile during wetter periods and/or through the influence of changing water table depths on the residence time of summer precipitation in the root zone. We suggest the tree ring proxy approach used here could be applied in other watersheds to provide critical insight into the temporal dynamics of plant water use that could not be inferred from short measurement campaigns. Furthermore, these data on the seasonal origins of forest water are critical for understanding forest vulnerability to drought, the processes that affect precipitation pathways and residence time in watersheds and the interpretation of tree ring proxy data.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Advancements in Multiphysics Microdepletion Analysis of an eVinci TM -like Microreactor Leveraging OpenMC-CRAB Workflow

Nuclear microreactors (MRs) are a class of nuclear reactor technology, characterized by reduced dimensions, modular design, and reduced power output in contrast to conventional Light Water Reactors (LWRs). MRs are proposed for supplying electricity and eventual process heat to remote locations, such as military installations and disaster-affected areas. Current research work sponsored by the US Department of Energy Microreactor Program (MRP) is devoted to the development of novel modeling and simulation tools to better support MR vendors and regulatory bodies. Notably, the NRC is projected to utilize the CRAB multiphysics software driver for executing both design and beyond-design-basis accident analyses. Furthermore, the NRC has been utilizing the MELCOR code to calculate mechanistic source terms during accidents. Since MELCOR relies on isotopic inventory and reactor temperature/power profiles under accident conditions, which theoretically can be derived from CRAB, the goal is to establish a comprehensive CRAB-MELCOR computational framework. Past work was focused on testing and demonstrating CRAB's capability to generate results that can be used to inform mechanistic source term calculations in MELCOR. In particular, a computational workflow leveraging OpenMC-generated microscopic cross sections and CRAB was first applied to perform multiphysics microscopic depletion calculation followed by an accident scenario for a stylized microreactor problem. In fiscal year 2024, the research work has been focused on applying the OpenMC-CRAB workflow, which was first tested in fiscal year 2023, to a realistic 3D heat-pipe cooled MR problem representative of the eVinci TM design. The latter computational problem was developed with inputs from WEC to conserve selected neutronic and thermal characteristics of the eVinci TM design without releasing proprietary data. The results of this simulation, encompassing isotopic inventory, power density distribution, and kinetic parameters, will inform both MELCOR and the WEC-developed FATE code for mechanistic source terms calculations. The results from the two codes will then be compared for code verification purposes. This report contains the design characteristics of the realist heat pipe cooled microreactor developed as a use-case for the verification exercise, and the current results for the multiphysics microscopic depletion performed with the OpenMC-CRAB workflow. The results include eigenvalue as a function of time, power distribution at EOL, in addition to nuclides inventory's time evolution and spatial distribution. Finally, we report improvements to the workflow efficiency achieved through a collaboration with the NEAMS programs. Through this collaborative effort, we were able to strongly decrease the computational time for the multiphysics microdepletion calculation (i.e., from 17.4 hours to 5.7 hours on 280 processors) in addition to simplifying the interface to generate isotopics spatial distribution utilizable by FATE and MELCOR. Future work, including the improvement of the current microscopic cross-sections' library and the simulation of an accident scenario at EOL, is also discussed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Ventilation and Indoor Air Quality in Recently Constructed U.S. Homes: Measured Data From Select Southeastern States

Little data is available that quantifies IAQ or associates contaminant levels with air exchange in U.S. homes. To address this gap, the U.S. Department of Energy (DOE) Building America Program conducted a study to characterize IAQ in U.S. homes constructed since 2013, along with presence, functionality, and occupant use of control measures. Specific objectives of this study effort included: Measuring time-integrated concentrations and temporal profiles of established contaminants of concern; monitoring the use of ventilation equipment; and tracking activities that impact air pollutant emissions and removal processes in typical homes in various climate zones; Characterizing the prevalence, type, and installed performance of mechanical ventilation equipment in new homes; exploring regional variations in system designs and performance; Investigating associations between contaminant levels and the presence of control measures including whole-house mechanical ventilation (WHMV). The study engaged research teams to collect data at a regional level. This report introduces the study protocol and presents and discusses high-level results obtained from Florida Solar Energy Center (FSEC) data collection efforts in the southeastern U.S. states of Florida, Georgia, and South Carolina.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Regioselective Gas–Phase n –Butane Transfer Dehydrogenation via Silica–Supported Pincer–Iridium Complexes

The production of olefins via on-purpose dehydrogenation of alkanes allows for a more efficient, selective and lower cost alternative to processes such as steam cracking. Silica-supported pincer-iridium complexes of the form [(≡SiO– R4 POCOP)Ir(CO)] ( R4 POCOP=κ 3 -C 6 H 3 -2,6-(OPR 2 ) 2 ) are effective for acceptorless alkane dehydrogenation, and have been shown stable up to 300 °C. However, while solution-phase analogues of such species have demonstrated high regioselectivity for terminal olefin production under transfer dehydrogenation conditions at or below 240 °C, in open systems at 300 °C, regioselectivity under acceptorless dehydrogenation conditions is consistently low. In this work, complexes [(≡SiO– tBu4 POCOP)Ir(CO)] (1) and [(≡SiO– iPr4 PCP)Ir(CO)] (2) were synthesized via immobilization of molecular precursors. These complexes were used for gas-phase butane transfer dehydrogenation using increasingly sterically demanding olefins, resulting in observed selectivities of up to 77 %. Finally, the results indicate that the active site is conserved upon immobilization.

02 PETROLEUM↗

DOE OSTI2022

Droplet Evaporation-Based Approach for Microliter Fuel Property Measurements

Small-volume, high-throughput screening techniques are sought to enable downselection from a large candidate pool of bio-blendstocks to a select few, having physical properties consistent with requirements of downsized, turbo-boosted internal combustion engines. Herein, this work presents a droplet evaporation-based approach to predict heat of vaporization, vapor pressure, diffusion coefficient, and Lennard–Jones parameters for an unknown fuel. Two different schemes, considering the isothermal evaporation of a moving droplet in ambient air, are proposed, which combine droplet velocity and temperature measurements, with some known properties to predict unknown properties. The schemes utilize an inverse solution of a transient model of droplet evaporation solved in an iterative fashion. A baseline scheme, which only requires droplet size change measurements, is evaluated using test data for three liquid fuels, comprising of alkanes and alcohols, as obtained in a temperature-controlled chamber. Results yield temperature-dependent heat of vaporization and vapor pressure predictions within 10 % and 22 %, respectively, of reference values. The advanced scheme, which additionally requires droplet temperature measurement, is numerically evaluated in the current work and will be experimentally validated in future efforts. The advanced scheme is found to significantly improve prediction quality, with deviations less than 2 % and 1 % for heat of vaporization and vapor pressure, while also predicting diffusion coefficient and Lennard–Jones parameters within 5 % and 8 %, respectively. The combined set of approaches, which primarily track droplet evaporation, can be incorporated into a small-volume, high-throughput fuel screening process.

09 BIOMASS FUELS↗

NASA NTRS2000

Modeling of Solid Waste Processing Options in BIO-Plex

BIO-Plex is a ground-based test bed currently under development by NASA for testing technologies and practices that may be utilized in future long-term life support missions. All aspects of such an Advanced Life Support (ALS) System must be considered to confidently construct a reliable system, which will not only allow the crew to survive in harsh environments, but allow the crew time to perform meaningful research. Effective handling of solid wastes is a critical aspect of the system, especially when recovery of resources contained in the waste is required. This is particularly important for ALS Systems configurations that include a Biomass Production Chamber. In these cases, significant amounts of inedible biomass waste may be produced, which can ultimately serve as a repository of necessary resources for sustaining life, notably carbon, water, and plant nutrients. Numerous biological and physicochemical solid waste processing options have been considered. Biological options include composting, aerobic digestion, and anaerobic digestion. Physicochemical options include pyrolysis, SCWO (supercritical water oxidation), various incineration configurations, microwave incineration, magnetically assisted gasification, and low temperature plasma reaction. Modeling of these options is a necessary step to assist in the design process. A previously developed top-level model of BIO-Plex implemented in MATLAB Simulink (r) for the use of systems analysis and design has been adopted for this analysis. Presently, this model only considered incineration for solid waste processing. Present work, reported here, includes the expansion of this model to include a wider array of solid waste processing options selected from the above options, bearing in mind potential, near term solid waste treatment systems. Furthermore, a trade study has also been performed among these solid waste processing technologies in an effort to determine the ideal technology for long-term life support missions.

Rodriguez, Luis F.↗

NASA NTRS2017

Application of the Core Flight System to a Lunar Rover

Resource Prospector (RP) is a lunar mission sponsored by NASAs Advanced Exploration Systems (AES) division, that aims to study in-situ resource utilization (ISRU) feasibility and technologies on the surface of the moon. The RP missions lunar surface segment includes a rover equipped with with a suite of instruments specifically designed to measure and map volatiles both at the surface and in the subsurface. Of particular interest is the quantity and state of volatiles in permanently shadowed regions. To conduct the mission, ground system operators will remotely drive the rover, directing it to waypoints along the surface in order to achieve measurement objectives. At selected locations, an onboard drill will be deployed to collect material and obtain direct measurements of the subsurface constituents. RP is currently planned for launch in 2022. RP is managed at NASA Ames Research Center. The RP Rover is being designed and developed by NASA Johnson Space Center (JSC) in partnership with NASA Ames. NASA Kennedy Space Center (KSC) is responsible for the Honeybee drilling system and science payload.In order to better understand the technical challenges and demonstrate capability, in 2015 the RP project developed a rover testbed (known as RP15). In this mission in a year, a rover was designed, developed, and outfitted with science instruments and a drill. The rover was operated from a remote operations center, and operated in an outdoor lunar rock yard at Johnson space center. The study was a resounding success meeting all objectives. The RP Rover software architecture and development processes were based on the successful Lunar Atmosphere and Dust Environment Explorer spacecraft. This architecture is built on the Core Flight System software and an interface to MatlabSimulink auto-generated software components known as the Simulink Interface Layer (SIL). The application of this lunar satellite inspired framework worked well for the rover application, and is currently being planned for the mission. This presentation provides an overview of the architecture and processes, and describes some of the changes and challenges for the rover application.

CFS↗

NASA NTRSDate not supplied

Introduction to the IMPACT Probabilistic Risk and Tradespace Analysis Tool for Medical System Design

Background: Probabilistic risk analysis (PRA) is a method for estimating risk in complex engineered systems that, at a basic level, focuses on what can go wrong and the likelihood and consequences of those occurrences. NASA has used PRA as an integral component of medical system risk estimation and design for spaceflight. IMPACT (Informing Mission Planning via Analysis of Complex Tradespaces) is a novel tool to meet these goals for exploration missions. Overview: IMPACT performs hundreds of thousands of Monte Carlo simulations of missions to build aggregate pictures of medical risk. These simulations are based on 120 possible medical conditions (the IMPACT Condition List) selected in a consensus-based process because they are of highest likelihood and/or consequence for exploration spaceflight. The conditions are then tied to clinical capabilities which can be used for management (e.g., inserting an IV) and then to over 600 specific resources needed to deliver a capability (e.g., an angiocath or an ultrasound). Different mission profiles can be simulated with user-specified inputs such as mission duration, destination, number of crew and pre-existing medical conditions, and EVA frequency. While the IMPACT evidence base is designed for exploration environments, these user inputs allow the tool to be used across a broad range of missions. IMPACT’s primary outcome metrics include loss of crew life (LOCL, a measure of in-flight mortality due to medical conditions), need for evacuation (RTDC, return to definitive care), and crew disability (TTL, task time lost based on how medical conditions impact the ability to perform over 1000 specific exploration mission crew tasks). In addition to modeling medical risk, IMPACT also accepts user-specified constraints, such as limitations of mass or volume, and will output a recommended clinical capability set and specific medical resources that meet the mission constraints. Discussion: This abstract will provide an introduction to IMPACT and describe the nature of the underlying medical evidence. It will also detail potential use cases for how this tool can be utilized by NASA or commercial spaceflight providers.

Ben Easter↗

NASA NTRS2014

Atmospheric Processing Module for Mars Propellant Production

The multi-NASA center Mars Atmosphere and Regolith COllectorPrOcessor for Lander Operations (MARCO POLO) project was established to build and demonstrate a methaneoxygen propellant production system in a Mars analog environment. Work at the Kennedy Space Center (KSC) Applied Chemistry Laboratory is focused on the Atmospheric Processing Module (APM). The purpose of the APM is to freeze carbon dioxide from a simulated Martian atmosphere containing the minor components nitrogen, argon, carbon monoxide, and water vapor at Martian pressures (8 torr) by using dual cryocoolers with alternating cycles of freezing and sublimation. The resulting pressurized CO(sub 2) is fed to a methanation subsystem where it is catalytically combined with hydrogen in a Sabatier reactor supplied by the Johnson Space Center (JSC) to make methane and water vapor. We first used a simplified once-through setup and later employed a H(sub 2)CO(sub 2) recycling system to improve process efficiency. This presentation and paper will cover (1) the design and selection of major hardware items, such as the cryocoolers, pumps, tanks, chillers, and membrane separators, (2) the determination of the optimal cold head design and flow rates needed to meet the collection requirement of 88 g CO(sub 2) hr for 14 hr, (3) the testing of the CO(sub 2) freezer subsystem, and (4) the integration and testing of the two subsystems to verify the desired production rate of 31.7 g CH(sub 4) hr and 71.3 g H(sub 2)O hr along with verification of their purity. The resulting 2.22 kg of CH(sub 2)O(sub 2) propellant per 14 hr day (including O(sub 2) from electrolysis of water recovered from regolith, which also supplies the H(sub 2) for methanation) is of the scale needed for a Mars Sample Return mission. In addition, the significance of the project to NASAs new Mars exploration plans will be discussed.

waste treatment↗