SEARCH · Search NASA
Results for “Green Chemistry”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Combining Fluorescence and Phosphorescence to Achieve Very Long Lifetime and Efficient White OLEDs (Final Technical Report)
The objective of our project was to develop a high efficiency, long lived WOLED using a hybrid approach to harvesting singlet and triplet excitons, as described above. WE met out GONOGO metric at the end of year one, achieving an efficiency of nearly 50 lm/W for high quality white light emission. We faced an unforeseen problem in achieving this high efficiency level at high brightness. Our hybrid devices showed a significant roll off in device efficiency as the current is raised, such that our efficiency dropped to ca. 10 lm/W at 1000 nits. This roll off precluded us form achieving our send year targets with regards to efficiency at high brightness and long device lifetime. We spent the majority of our efforts in year two trying to decrease or eliminate this efficiency roll off, but this roll off prevented us from reaching our end of program target of high efficiency at high brightness with long device lifetime. Toward the end of the sixth quarter of the program we began to investigate a new approach, which involved a tandem WOLED, with a hybrid blue/red OLED stacked on a phosphorescent green OLED. The resultant emission from the stack will be white and the tandem structure relaxes the constraints on the materials, which we believe is key issue in the high roll off in efficiency.
Theoretical microwave spectral constants for C3H/+/ and C4H/+/
A number of linear conjugated carbon chain molecules have been observed in the interstellar gas. It has been suggested that ion molecule chemistry schemes may explain the formation of these compounds. In the present paper, theoretical bond lengths and rotation constants are obtained for C3H(+) and C4H(+). Calculations for C3 are used to assess the accuracy of the former. Recent results for C2H(+) are examined.
Petrology, chemistry, and origin of Apollo 15 regolith breccias
Variations in modal petrology, mineral compositions, and bulk compositions were determined for ten Apollo 15 regolith breccias for comparison with local soils and assessment of the intrasite petrologic variability of the Apollo 15 regolith. Based on the above criteria the breccias are of local origin and mimic the soils from the corresponding sampling stations, with the exception of station 2 breccia 15205. This sample formed from an anomalous regolith, and although not considered exotic to the site is not representative of the soil at the site. KREEP basalt and green glass components vary from trace amounts to dominant in the breccias, evidence that these materials entered the regolith prior to formation of the breccias. Breccias from the edge of Hadley Rille are modally richer in highland fragments than the soils, whereas at the base of Hadley Delta the reverse is true. This is explained by the loss of material into the Rille to be replaced by basalt-derived material, making the soils more basalt-rich. At the base of Hadley Delta highland material is accumulating and the soils are becoming more highland-rich. Over billions of years these processes have developed differences between the present day, evolving soils, and 'fossil' nonevolving soils represented by the regolith breccias. This shows that there has been little change in the geology and the morphology of the Apollo 15 site, probably since the eruption of mare basalts at the site (about 3.3 b.y.).
Closo ‐Borate Gel Polymer Electrolyte with Remarkable Electrochemical Stability and a Wide Operating Temperature Window
Abstract A major challenge in the pursuit of higher‐energy‐density lithium batteries for carbon‐neutral‐mobility is electrolyte compatibility with a lithium metal electrode. This study demonstrates the robust and stable nature of a closo ‐borate based gel polymer electrolyte (GPE), which enables outstanding electrochemical stability and capacity retention upon extensive cycling. The GPE developed herein has an ionic conductivity of 7.3 × 10 −4 S cm −2 at room temperature and stability over a wide temperature range from −35 to 80 °C with a high lithium transference number ( = 0.51). Multinuclear nuclear magnetic resonance and Fourier transform infrared are used to understand the solvation environment and interaction between the GPE components. Density functional theory calculations are leveraged to gain additional insight into the coordination environment and support spectroscopic interpretations. The GPE is also established to be a suitable electrolyte for extended cycling with four different active electrode materials when paired with a lithium metal electrode. The GPE can also be incorporated into a flexible battery that is capable of being cut and still functional. The incorporation of a closo ‐borate into a gel polymer matrix represents a new direction for enhancing the electrochemical and physical properties of this class of materials.
GW with hybrid functionals for large molecular systems
A low-cost approach for stochastically sampling static exchange during time-dependent Hartree–Fock-type propagation is presented. This enables the use of an excellent hybrid density functional theory (DFT) starting point for stochastic GW quasiparticle energy calculations. Generalized Kohn–Sham molecular orbitals and energies, rather than those of a local-DFT calculation, are used for building the Green function and effective Coulomb interaction. The use of an optimally tuned hybrid diminishes the starting point dependency in one-shot stochastic GW, effectively avoiding the need for self-consistent GW iterations.
Predictive Models for Semiconductor Device Design and Processing
The device feature size continues to be on a downward trend with a simultaneous upward trend in wafer size to 300 mm. Predictive models are needed more than ever before for this reason. At NASA Ames, a Device and Process Modeling effort has been initiated recently with a view to address these issues. Our activities cover sub-micron device physics, process and equipment modeling, computational chemistry and material science. This talk would outline these efforts and emphasize the interaction among various components. The device physics component is largely based on integrating quantum effects into device simulators. We have two parallel efforts, one based on a quantum mechanics approach and the second, a semiclassical hydrodynamics approach with quantum correction terms. Under the first approach, three different quantum simulators are being developed and compared: a nonequlibrium Green's function (NEGF) approach, Wigner function approach, and a density matrix approach. In this talk, results using various codes will be presented. Our process modeling work focuses primarily on epitaxy and etching using first-principles models coupling reactor level and wafer level features. For the latter, we are using a novel approach based on Level Set theory. Sample results from this effort will also be presented.
Evaluation of Volatile Species in Green Monopropellant Project
NASA is interested in green monopropellants to replace hydrazine in reaction control systems (RCSs). Some current NASA programs require reduced vapor pressure and low toxicity monopropellant (green) and superior performance (specific impulse and density) formulations. Earlier vapor phase studies of a candidate green monopropellant at the NASA White Sands Test Facility (WSTF) showed the presence of a volatile species that warranted further investigation. The purpose of this study was to further characterize the volatile species and to evaluate it. The evaluation was with respect to whether the volatile species was an impurity or how it is formed, and to use that information to examine whether its presence as an impurity can be eliminated during formulation. The evaluation also considered whether formation of the volatile impurity could be prevented while not compromising the propellant. To reduce variables associated with evaluation of the propellant formulation as a whole, a precursor to one of the individual components in the propellant formulation was subjected to a NASA Standard 6001B Flammability, Off-gassing, and Compatibility Requirements and Test Procedures "Determination of Off-gassed Products (Test 7)". Testing took place in the NASA WSTF Molecular Desorption and Analysis Laboratory. One gram of the precursor was placed in a flask within a specimen container. After thermal conditioning for 72 +/- 1 h at 50 +/- 3 deg C (122 +/- 5 deg F), the atmosphere inside the specimen container was analyzed for off-gassed compounds by cryotrap gas chromatography-mass spectrometry (GC-MS) and fixed sample loop GC-flame ionization detection (GC-FID). The specimen container used was glass to minimize potential catalytic surfaces. The identification of compounds was difficult due to the complexity of the vapor phase concentrations and overlapping chromatographic peaks and mass spectra. However, eleven compounds were specifically identified and five compounds or classes of compounds were reported as unidentified. Quantitation of most of the compounds, including unidentified compounds, was as methane. Quantitating compounds or classes of compounds that were detected but for which specific calibration is not established as methane is in accordance with the Test 7 standard protocol. The thermal decomposition temperature of the precursor was significantly higher than the test temperature. Based on thermal decomposition temperature and on an examination of the structure and chemistry of the identified volatile species, the presence of the volatile species appears to be chemically reasonable with respect to the propellant formulation and is at this time attributed to impurities. Further examination of the overall propellant formulation process (including the individual components' synthesis processes) and process quality control (including purity of reagents and possible decomposition reactions) is indicated.
Low-Temperature Molten Salt Electrochemical CO 2 Upcycling for Advanced Energy Materials
One strategy for addressing the climate crisis caused by CO 2 emissions is to efficiently convert CO 2 to advanced materials suited for green and clean energy technology applications. Porous carbon is widely used as an advanced energy storage material because of its enhanced energy storage capabilities as an anode. Herein, we report electrochemical CO 2 upcycling to solid carbon with a controlled microstructure and porosity in a ternary molten carbonate melt at 450 °C. Controlling the electrochemical parameters (voltage, temperature, cathode material) enabled the conversion of CO 2 to porous carbon with a tunable morphology and porosity for the first time at such a low temperature. Additionally, a well-controlled morphology and porosity are beneficial for reversible energy storage. In fact, these carbon materials delivered high specific capacity, stable cycling performances, and exceptional rate capability even under extremely fast charging conditions when integrated as an anode in lithium-ion batteries (LIBs). In conclusion, the present approach not only demonstrated efficient upcycling of CO 2 into porous carbon suitable for enhanced energy storage but can also contribute to a clean and green energy technology that can reduce carbon emissions to achieve sustainable energy goals.
PLA Renewable Bio Polymer Based Solid-State Gamma Radiation Detector-Dosimeter for Biomedical and Nuclear Industry Applications
Polylactic acid (PLA) as a “green,” renewable corn-soy based polymer resin was assessed as a novel solid-state detector for rapid-turnaround gamma radiation dosimetry in the 1–100 kGy range–of significant interest in biomedical and general nuclear industry applications. Co-60 was used as the source of gamma photons. It was found that PLA resin responds well in terms of rheology and porosity metrics with an absorbed gamma dose (Dg). In this work, rheological changes were ascertained via measuring the differential mass loss ratio (MLR) of irradiated PLA placed within PTFE-framed (40 mm × 20 mm × 0.77 mm) cavities bearing ~0.9 g of PLA resin and pressed for 12–16 min in a controlled force hot press under ~6.6 kN loading and platens heated to 227 °C for the low Dg range: 0–11 kGy; and to 193 °C for the extended Dg range: 11–120 kGy. MLR varied quadratically from 0.05 to ~0.2 (1σ ~ 0.007) in the 0–11 kGy experiments, and from 0.05 to ~0.5 (1σ ~0.01) in the 0–120 kGy experiments. Rheological changes from gamma irradiation were modeled and simultaneously correlated with void-pocket formations, which increase with Dg. A single PLA resin bead (~0.04 g) was compressed 5 min at 216 °C in 0–16 kGy experiments, and compressed 2 min at 232 °C in the 16–110 kGy experiments, to form sturdy ~100 µm thick wafers in the same press. Aggregate coupon porosity was then readily measurable with conventional optical microscope imaging and analyzed with standard image processing; this provided complementary data to MLR. Average porosity vs. dose varied quadratically from ~0 to ~15% in the 0–16 kGy range and from ~0 to ~18% over the 16–114 kGy range. These results provide evidence for utilizing “green”/renewable (under $0.01) PLA resin beads for rapid and accurate (+/-5–10%) gamma dosimetry over a wide 0–120 kGy range, using simple to deploy mass and void measuring techniques using common laboratory equipment.
Navier-Stokes simulations of Orbiter aerodynamic characteristics including pitch trim and bodyflap
An analysis of the longitudinal aerodynamics of the shuttle orbiter in the hypersonic flight regime is made through the use of computational fluid dynamics. Particular attention is given to establishing the cause of the 'pitching moment anomaly,' which occurred on the orbiter's first flight, and to computing the aerodynamics of a complete orbiter configuration at flight conditions. Data from ground-based facilities as well as orbiter flight data are used to validate the computed results. Analysis shows that the pitching moment anomaly is a real-gas chemistry effect that was not simulated in ground-based facilities, which used air as a test gas. Computed flight aerodynamics for the orbiter are within 5% of the measured flight values and trim bodyflap deflections are predicted to within 10%.
From Oxygen Generation to Metals Production: In Situ Resource Utilization by Molten Oxide Electrolysis
For the exploration of other bodies in the solar system, electrochemical processing is arguably the most versatile technology for conversion of local resources into usable commodities: by electrolysis one can, in principle, produce (1) breathable oxygen, (2) silicon for the fabrication of solar cells, (3) various reactive metals for use as electrodes in advanced storage batteries, and (4) structural metals such as steel and aluminum. Even so, to date there has been no sustained effort to develop such processes, in part due to the inadequacy of the database. The objective here is to identify chemistries capable of sustaining molten oxide electrolysis in the cited applications and to examine the behavior of laboratory-scale cells designed to generate oxygen and to produce metal. The basic research includes the study of the underlying high-temperature physical chemistry of oxide melts representative of lunar regolith and of Martian soil. To move beyond empirical approaches to process development, the thermodynamic and transport properties of oxide melts are being studied to help set the limits of composition and temperature for the processing trials conducted in laboratory-scale electrolysis cells. The goal of this investigation is to deliver a working prototype cell that can use lunar regolith and Martian soil to produce breathable oxygen along with metal by-product. Additionally, the process can be generalized to permit adaptation to accommodate different feedstock chemistries, such as those that will be encountered on other bodies in the solar system. The expected results of this research include: (1) the identification of appropriate electrolyte chemistries; (2) the selection of candidate anode and cathode materials compatible with electrolytes named above; and (3) performance data from a laboratory-scale cell producing oxygen and metal. On the strength of these results it should be possible to assess the technical viability of molten oxide electrolysis for in situ resource utilization on the Moon and Mars. In parallel, there may be commercial applications here on earth, such as new green technologies for metals extraction and for treatment of hazardous waste, e.g., fixing heavy metals.
Bio-derived Hydrogen Peroxide Manufacturing from Pulp and Paper Waste (CRADA Final Report)
The Perlumi project team worked on developing a novel route to hydrogen peroxide (H 2 O 2 ) using methanol as the starting material. Global H 2 O 2 annual production is around 4.5 billion kilos, and is valued around $\$2.5$ billion dollars. The pulp and paper industry specifically buys about $\$1.5$ billion of H 2 O 2 in aggregate as a green alternative to chlorine containing compounds for pulp and paper bleaching.
Modulating the pH dependent photophysical properties of green fluorescent protein
The photophysical properties of superfolder green fluorescent protein (sfGFP) were successfully modulated by the replacement of tyrosine 66 in the internal chromophore with 3-nitro-l-tyrosine.
Development of a Kollidon 90F-PEG300-Glycerin Binder for PZT 95/5 Ceramic Processing
This SAND Report documents the development of organic binder system for PZT 95/5 consisting of Kollidon 90F, PEG300, and glycerin. Binders are a critical component in the manufacture of ceramic components. Low performing binders can result in poor yield and lower performance of ceramic components. This study sought to develop a well performing binder system for PZT 95/5 ceramics to support Ferroelectric Neutron Generator manufacturing. The study explored the glass transition temperature, powder compaction properties, green strengths, and thermal decomposition over a wide composition range. An optimal composition was found consisting of 1.3 wt.% Kollidon 90F, 0.5 wt.% PEG300, and 0.2 wt.% glycerin, and incorporating humidity conditioning . The results showed that the optimized binder exhibited improved compaction performance and enhanced green strength compared to a baseline binder and at lower loading. Further, sintered PZT 95/5 parts prepared using the optimized binder exhibited ~5% improved polarization performance without alteration to the microstructure.
Large modulation of the bottlebrush diblock copolymer morphology and structural color through solvent selectivity
Large modulation of the microphase separated morphology and structural color of PS- b -PLA BBCPs using single materials by exploiting selective solubility of the two blocks in a series of structurally similar solvents.
Testing of the Veggie Vegetable Production System on the International Space Station
The Veggie vegetable production system has been flying on the International Space Station since 2014, with a second Veggie chamber added in 2017. Veggie is a simple, low power, flexible platform for space plant cultivation. Since 2014, over a dozen crop cycles have been conducted in Veggie. Primarily leafy green crops have been grown, and many of these have been used to supplement the crew diet. Flowers were also grown, and the seeds returned produced viable progeny. In addition to the crop plants, Veggie has been used as a platform for model plants grown in Petri dishes or custom magenta jar chambers. Other used have included algal culture and an education seed germination experiment. Science in Veggie has focused on the plant microbiome, the chemistry and food safety of space-grown produce, the impacts of light quality on crop growth, and the behavioral health benefits of cultivating and eating space crops. Veggie is allowing testing and maturation of NASA’s early-stage space crop production research in a relevant environment, and the lessons that we are learning from this research are helping to shape future exploration scenarios. This research was funded by NASA Space Biology and NASA’s Human Research Program.
Testing of the Veggie Vegetable Production System on the International Space Station
The Veggie vegetable production system has been flying on the International Space Station since 2014, with a second Veggie chamber added in 2017. Veggie is a simple, low power, flexible platform for space plant cultivation. Since 2014, over a dozen crop cycles have been conducted in Veggie. Primarily leafy green crops have been grown, and many of these have been used to supplement the crew diet. Flowers were also grown, and the seeds returned produced viable progeny. In addition to the crop plants, Veggie has been used as a platform for model plants grown in Petri dishes or custom magenta jar chambers. Other used have included algal culture and an education seed germination experiment. Science in Veggie has focused on the plant microbiome, the chemistry and food safety of space-grown produce, the impacts of light quality on crop growth, and the behavioral health benefits of cultivating and eating space crops. Veggie is allowing testing and maturation of NASA’s early-stage space crop production research in a relevant environment, and the lessons that we are learning from this research are helping to shape future exploration scenarios. This research was funded by NASA Space Biology and NASA’s Human Research Program.