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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,549 records · Page 86

Morphology control of ZnO nanostructures for high efficient dye-sensitized solar cells

Dye-sensitized solar cells (DSSCs) were fabricated based on different ZnO nanostructures with controllable morphologies synthesized via capping agent-assisted hydrothermal method. The capping agent hindered the growth along (001) direction, so the morphology evolved from rods to nanosheets with increasing the amounts of capping agents. The kinetics of the photoelectrochemical properties in DSSCs were also evaluated via electrochemical impedance spectroscopy with focusing on exploring the electron lifetime, electron diffusion coefficient and effective diffusion length of the cells in a quantitative manner based on an equivalent circuit model. The physical properties, such as specific surface area, photoluminescence and ultraviolet–vis diffuse reflectance spectra (DRS), were also extensively characterized in detail. DSSCs fabricated with ZnO nanosheets/rod hierarchical structures as photoanodes showed significantly improved photovoltaic performance with open-circuit voltage increasing from 0.45 V to 0.73 V, as well as the overall conversion efficiency 5.69 times better than that of ZnO rod. It was attributed to higher surface area (21.96 m{sup 2}·g{sup −1}) and more efficient light absorption, as well as more efficient electron transfer process. - Highlights: • Controlled morphologies from rods to nanosheets were manipulated by hydrothermal method. • Different ZnO morphologies based DSSCs were investigated by IV and EIS with forward biases. • DSSCs based on nano hierarchical structures yield 5.67 times higher of power conversion efficiency than that of rods.

36 MATERIALS SCIENCE↗

Numerical Simulation of Big Area Additive Manufacturing (3D Printing) of a Full Size Car

Distortion and buildup of residual stresses are common design problems in structures manufactured using additive manufacturing techniques, popularly known as 3D printing. These problems lead to poor product quality, which often is improved by trial and error, where the sensitivity of different manufacturing configurations to product quality are experimentally determined. With the introduction of Big Area Additive Manufacturing (BAAM), where significant amount of material is deposited per unit time, trial and error philosophy reduces the economical efficiency of the process. In this work, a numerical simulation methodology based on Finite Element Method (FEM), multi-scale damage mechanics and fracture mechanics is introduced to simulate the BAAM process for determining product quality in terms of distortions, material damage and interface fracture due to manufacturing. In addition, this tool can be used to obtain the sensitivities of the manufacturing configurations with respect to product quality in an economically efficient manner compared to the trial and error philosophy. Computational tools providing a fully coupled thermo-mechanical solution of polymer additive manufacturing with chopped fiber reinforced plastics are presented.

42 ENGINEERING↗

Perspective: Maintaining surface-phase purity is key to efficient open air fabricated cuprous oxide solar cells

Electrochemically deposited Cu{sub 2}O solar cells are receiving growing attention owing to a recent doubling in efficiency. This was enabled by the controlled chemical environment used in depositing doped ZnO layers by atomic layer deposition, which is not well suited to large-scale industrial production. While open air fabrication with atmospheric pressure spatial atomic layer deposition overcomes this limitation, we find that this approach is limited by an inability to remove the detrimental CuO layer that forms on the Cu{sub 2}O surface. Herein, we propose strategies for achieving efficiencies in atmospherically processed cells that are equivalent to the high values achieved in vacuum processed cells.

36 MATERIALS SCIENCE↗

NiAl{sub 2}O{sub 4} catalysts prepared by combustion reaction using glycine as fuel

Graphical abstract: The reaction temperature was found to remain is practically constant throughout the interval preceding ignition, after which the temperature increased abruptly, reaching the maximum combustion temperature. All the reactions occurred in a matter of minutes, i.e., 5.8, 5.8 and 6 min, respectively, for compositions GES, 10GE and 20GE. Among the benefits of the combustion synthesis method are low processing cost, energy efficiency, high production rate and, especially, short reaction periods when compared with conventional methods (solid state reaction) to prepare ceramic oxide powders that require high calcination temperatures and long reaction periods. Highlights: {yields} We use a simple, fast and inexpensive technique for processing NiAl{sub 2}O{sub 4} catalyst nanopowders. {yields} We study the preparation of powders with nanometric sized particles. {yields} This material is extremely attractive for use in the development of new catalysts for a variety of chemical processes. {yields} Nanometric sized particles depend of the amount of glycine used in the synthesis process. -- Abstract: The aim of this work is to evaluate the influence of glycine fuel used in a stoichiometric proportion and with a 10% and 20% excess of this fuel in the preparation of NiAl{sub 2}O{sub 4} catalyst by combustion reaction. The powders were characterized by XRD, textural analysis by the BET nitrogen adsorption method, particle size distribution, and FTIR. The results show the presence of NiAl{sub 2}O{sub 4} as a major phase and traces of NiO and Ni in all the catalysts studied here. The crystallite sizes were 22 nm in the stoichiometric composition and 18 and 9 nm, respectively, in the composition containing 10% and 20% excess glycine. The powder obtained from all the compositions presented morphological characteristics with irregular plate-shaped agglomerates. The increase in excess glycine caused the particle size in the three compositions to decrease to 59, 54 and 38 nm and the agglomerate size to increase to 7, 8 and 12 {mu}m, respectively.

36 MATERIALS SCIENCE↗

Chemical Engineering in Space

The aerospace industry has long been perceived as the domain of both physicists and mechanical engineers. This perception has endured even though the primary method of providing the thrust necessary to launch a rocket into space is chemical in nature. The chemical engineering and chemistry personnel behind the systems that provide access to space have labored in the shadows of the physicists and mechanical engineers. As exploration into the cosmos moves farther away from Earth, there is a very distinct need for new chemical processes to help provide the means for advanced space exploration. The state of the art in launch systems uses chemical propulsion systems, primarily liquid hydrogen and liquid oxygen, to provide the energy necessary to achieve orbit. As we move away from Earth, there are additional options for propulsion. Unfortunately, few of these options can compare to the speed or ease of use provided by the chemical propulsion agents. It is with great care and significant cost that gaseous compounds such as hydrogen and oxygen are liquefied and become dense enough to use for rocket fuel. These low-temperature liquids fall within a specialty area known as cryogenics. Cryogenics, the science and art of producing cold operating conditions for use on Earth, in orbit, or on some other nonterrestrial body, has become increasingly important to our ability to travel within our solar system. The production of cryogenic fuels and the long-term storage of these fluids are necessary for travel. As our explorations move farther away from Earth, we need to address how to produce the necessary fuels to make a round-trip. The cost and the size of these expeditions are extreme at best. If we take everything necessary for our survival for the round-trip, we invalidate any chance of travel in the near future. As with the early explorers on Earth, we need to harvest much of our energy and our life support from the celestial bodies. The in situ production of these energy sources is paramount to success. We are currently working on several processes to produce the propellants that would allow us to visit and explore the surface of Mars. The capabilities currently at our disposal for launching and delivering equipment to another planet or satellite dictate that the size and scale of any hardware must be extremely small. The miniaturization of the processes needed to prepare the in situ propellants and life support commodities is a real challenge. Chemical engineers are faced with the prospect of reproducing an entire production facility in miniature so the complex can be lifted into space and delivered to our destination. Another area that does not normally concern chemical engineers is the extreme physical aspects payloads are subjected to with the launch of a spacecraft. Extreme accelerations followed by the sudden loss of nearly all gravitational forces are well outside normal equipment design conditions. If the equipment cannot survive the overall trip, then it obviously will not be able to yield the needed products upon arrival. These launch constraints must be taken into account. Finally, we must consider both the effectiveness and efficiencies of the processes. A facility located on the Moon or Mars will not have an unlimited supply of power or other ancillary utilities. For a Mars expedition, the available electric power is severely limited. The design of both the processes and the equipment must be considered. With these constraints in mind, only the most efficient designs will be viable. Cryogenics, in situ resource utilization, miniaturization, launchability, and power/process efficiencies are only a few of the areas that chemical engineers provide support and expertise for the exploration of space.

Lobmeyer, Dennis A.↗

ZIRCONIUM, BARIUM, LANTHANUM, AND EUROPIUM ABUNDANCES IN OPEN CLUSTERS

We present an analysis of the s-process elements Zr, Ba, and La and the r-process element Eu in a sample of 50 stars in 19 open clusters. Stellar abundances of each element are based on measures of a minimum of two lines per species via both equivalent width and spectrum synthesis techniques. We investigate cluster mean neutron-capture abundance trends as a function of cluster age and location in the Milky Way disk and compare them to results found in other studies in the literature. We find a statistically significant trend of increasing cluster [Ba/Fe] as a function of decreasing cluster age, in agreement with recent findings for other open cluster samples, supporting the increased importance of low-mass asymptotic giant branch stars to the generation of s-process elements. However, the other s-process elements, [La/Fe] and [Zr/Fe], do not show similar dependences, in contrast to theoretical expectations and the limited observational data from other studies. Conversely, cluster [Eu/Fe] ratios show a slight increase with increasing cluster age, although with marginal statistical significance. Ratios of [s/r]-process abundances, [Ba/Eu] and [La/Eu], however, show more clearly the increasing efficiency of s-process relative to r-process enrichment in open cluster chemical evolution, with significant increases among younger clusters. Last, cluster neutron-capture element abundances appear to be independent of Galactocentric distance. We conclude that a homogeneous analysis of a larger sample of open clusters is needed to resolve the apparent discrepant conclusions between different studies regarding s-process element abundance trends with age to better inform models of galactic chemical evolution.

79 ASTRONOMY AND ASTROPHYSICS↗

Modified Ceria for “Low–Temperature” CO 2 Utilization: A Chemical Looping Route to Exploit Industrial Waste Heat

Efficient CO 2 utilization is key to limit global climate change. Carbon monoxide, which is a crucial feedstock for chemical synthesis, can be produced by splitting CO 2 . However, existing thermochemical routes are energy intensive requiring high operating temperatures. A hybrid redox process (HRP) involving CO 2 –to–CO conversion using a lattice oxygen–deprived redox catalyst at relatively low temperatures (<700 °C) is reported. The lattice oxygen of the redox catalyst, restored during CO 2 –splitting, is subsequently used to convert methane to syngas. Operated at temperatures significantly lower than a number of industrial waste heat sources, this cyclic redox process allows for efficient waste heat–utilization to convert CO 2 . To enable the low temperature operation, lanthanum modified ceria (1:1 Ce:La) promoted by rhodium (0.5 wt%) is reported as an effective redox catalyst. Near–complete CO 2 conversion with a syngas yield of up to 83% at low temperatures is achieved using Rh–promoted LaCeO 4–x . While La improves low–temperature bulk redox properties of ceria, Rh considerably enhances the surface catalytic properties for methane activation. Density functional theory calculations further illustrate the underlying functions of La–substitution. In conclusion, the highly effective redox catalyst and HRP scheme provide a potentially attractive route for chemical production using CO 2 , industrial waste heat, and methane, with appreciably lowered CO 2 emissions.

03 NATURAL GAS↗

Hydroxypyridinone-based stabilization of Np(IV) enabling efficient U/Np/Pu separations in the Adapted PUREX process

The classical process to recover uranium (U) and plutonium (Pu) from used nuclear fuel using tributyl phosphate (TBP), namely the Plutonium Uranium Redox EXtraction (PUREX) process, is complicated by the persistent presence of neptunium (Np) and thus requires extra purification steps. The concept of Adapted PUREX seeks to achieve Np recovery by adjusting the valence of the metal more effectively, thereby controlling its behavior more precisely. This study introduces the use of an aqueous hydroxypyridinone chelator, 3,4,3-LI(1,2-HOPO) (abbreviated as HOPO), to dictate the behavior of Np for recovery and meanwhile simplify cumbersome reprocessing steps. The interactions between Np and HOPO were probed mechanistically by way of absorption spectrophotometry, in conjunction with cyclic voltammetry. UV–Vis-NIR spectra illustrated the reduction of NpO 2 2+ to Np 4+ , with a fast reaction rate. Cyclic voltammetry revealed quasi-reversible processes between the oxidized and reduced forms of the ligand and its Np complexes. The corresponding heterogeneous rate constants (k 0 ) were estimated from the peak-to-peak separation potentials (ΔE p ), at ~ 4 – 35 μm/s for both HOPO and NpHOPO, with scan rates of 0.01 – 0.4 V/s. Meanwhile, the electromotive force (E MF ) as well as the change of Gibbs free energy (ΔG) were assessed from the half-wave potential (E 1/2 ), demonstrating the completeness of NpO 2 2+ reduction to Np 4+ by HOPO. The cumulative formation constant of the resulting NpHOPO complex (logβ 101 ) was determined by metal competition titration to be 42.0 ± 0.6, corroborating the extraordinarily high affinity of HOPO to tetravalent metal ions. Here, the prowess of valence control by HOPO and the high stability of the formed complex resulted in enhanced separations of Np from U and of Pu from U, with a maximum separation factor of ~7000 for both, nearly 90- and 10300-fold higher, respectively, than the values obtained using conventional PUREX formulae.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Advanced Chemical Design for Efficient Lignin Bioconversion

Here, lignin depolymerization mainly involves redox reactions relying on the effective electron transfer. Even though electron mediators were previously used for delignification of paper pulp, no study has established a bioprocess to fragment and solubilize the lignin with an effective laccase–mediator system, in particular, for subsequent microbial bioconversion. Efficient lignin depolymerization was achieved by screening proper electron mediators with laccase to attain a nearly 6-fold increase of kraft lignin solubility compared to the control kraft lignin without laccase treatment. Chemical analysis suggested the release of a low molecular weight fraction of kraft lignin into the solution phase. Moreover, NMR analysis revealed that an efficient enzyme–mediator system can promote the lignin degradation. More importantly, the fundamental mechanisms guided the development of an efficient lignin bioconversion process, where solubilized lignin from laccase–HBT treatment served as a superior substrate for bioconversion by Rhodococcus opacus PD630. The cell growth was increased by 10 6 fold, and the lipid titer reached 1.02 g/L. Overall, the study has manifested that an efficient enzyme–mediator–microbial system can be exploited to establish a bioprocess to solubilize lignin, cleave lignin linkages, modify the structure, and produce substrates amenable to bioconversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Developing Open-Source Tools for Increasing the Efficiency of Synthetic Aviation Turbine Fuel Certification Process

FuelLib is an open-source Python-based fuel library, developed by NREL, that leverages the group contribution method (GCM) of [1] to systematically estimate the thermodynamic and transport properties of hydrocarbon fuels. FuelLib predicts these properties based on the molecular structure of individual compounds or compound families, using weight percentages of a fuel's composition, typically measured using techniques such as gas chromatography (GC). FuelLib enables property estimation over a wide range of temperatures and pressures of multi-component fuels in the absence of detailed molecular composition data, making it particularly valuable for complex fuel mixtures where detailed experimental characterization of fuel composition is unavailable. These capabilities contribute directly to synthetic aviation turbine fuels (SATF) development, supporting the short-term American Society for Testing and Materials (ASTM) qualification of drop-in fuels while potentially expanding ASTM boundaries to certify a broader range of fuels.

33 ADVANCED PROPULSION SYSTEMS↗

Field-Scale Testing of a High-Efficiency Membrane Reactor (MR)—Adsorptive Reactor (AR) Process for H2 Generation and Pre-Combustion CO2 Capture

The study objective was to field-validate the technical feasibility of a membrane- and adsorption-enhanced water gas shift reaction process employing a carbon molecular sieve membrane (CMSM)-based membrane reactor (MR) followed by an adsorptive reactor (AR) for pre-combustion CO2 capture. The project was carried out in two different phases. In Phase I, the field-scale experimental MR-AR system was designed and constructed, the membranes, and adsorbents were prepared, and the unit was tested with simulated syngas to validate functionality. In Phase II, the unit was installed at the test site, field-tested using real syngas, and a technoeconomic analysis (TEA) of the technology was completed. All project milestones were met. Specifically, (i) high-performance CMSMs were prepared meeting the target H2 permeance (>1 m3/(m2.hbar) and H2/CO selectivity of >80 at temperatures of up to 300 °C and pressures of up to 25 bar with a <10% performance decline over the testing period; (ii) pelletized adsorbents were prepared for use in relevant conditions (250 °C < T < 450 °C, pressures up to 25 bar) with a working capacity of >2.5 wt.% and an attrition rate of <0.2; (iii) TEA showed that the MR-AR technology met the CO2 capture goals of 95% CO2 purity at a cost of electricity (COE) 30% less than baseline approaches.

42 ENGINEERING↗

Efficient computer algorithms for infrared astronomy data processing

Data processing techniques to be studied for use in infrared astronomy data analysis systems are outlined. Only data from space based telescope systems operating as survey instruments are considered. Resulting algorithms, and in some cases specific software, will be applicable for use with the infrared astronomy satellite (IRAS) and the shuttle infrared telescope facility (SIRTF). Operational tests made during the investigation use data from the celestial mapping program (CMP). The overall task differs from that involved in ground-based infrared telescope data reduction.

Pelzmann, R. F., Jr.↗

Process and design considerations for high-efficiency solar cells

This paper shows that oxide surface passivation coupled with optimum multilayer anti-reflective coating can provide approx. 3% (absolute) improvement in solar cell efficiency. Use of single-layer AR coating, without passivation, gives cell efficiencies in the range of 15 to 15.5% on high-quality, 4 ohm-cm as well as 0.1 to 0.2 ohm-cm float-zone silicon. Oxide surface passivation alone raises the cell efficiency to or = 17%. An optimum double-layer AR coating on oxide-passivated cells provides an additional approx. 5 to 10% improvement over a single-layer AR-coated cell, resulting in cell efficiencies in excess of 18%. Experimentally observed improvements are supported by model calculations and an approach to or = 20% efficient cells is discussed.

Rohati, A.↗