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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Graphene oxide gluing layer enabling macroscale tribology applications of pristine graphene

In recent studies of two-dimensional (2D) nanomaterial-based solid lubricants, the importance of durability has been emerging for real engineering-scale applications. To achieve this, a transfer layer formation is essential to prevent the wear of the mechanical systems. However, it has been challenging for pristine graphene (PG) to induce a material transfer due to chemical inertness. In this study, we suggest an easy-to-process strategy to promote the huge material transfer of the PG onto the counterpart contacting material. We utilized graphene oxide (GO) as a gluing layer between the PG film and the counterpart contact surface to realize the superior tribological performance. The high interaction energy of the GO from its functional groups makes a contribution to the material transfer of PG, which is unveiled by a systematic analysis of the counterpart contact surface and the wear track. The huge solid transfer layer not only makes a wear-resistant contact interface between the transfer layer and the underlying film by densification and oxidation, but also reduces surface interaction energies, finally resulting in a significant improvement in durability.

graphene oxide (GO)↗
DOE OSTI2023

Rheological Properties of Small-Molecular Liquids at High Shear Strain Rates

Molecular-scale understanding of rheological properties of small-molecular liquids and polymers is critical to optimizing their performance in practical applications such as lubrication and hydraulic fracking. We combine nonequilibrium molecular dynamics simulations with two unsupervised machine learning methods: principal component analysis (PCA) and t-distributed stochastic neighbor embedding (t-SNE), to extract the correlation between the rheological properties and molecular structure of squalane sheared at high strain rates (10 6 –10 10 s -1 ) for which substantial shear thinning is observed under pressures P ϵ 0.1–955 MPa at 293 K. Intramolecular atom pair orientation tensors of 435 × 6 dimensions and the intermolecular atom pair orientation tensors of 61 × 6 dimensions are reduced and visualized using PCA and t-SNE to assess the changes in the orientation order during the shear thinning of squalane. Dimension reduction of intramolecular orientation tensors at low pressures P = 0.1,100 MPa reveals a strong correlation between changes in strain rate and the orientation of the side-backbone atom pairs, end-backbone atom pairs, short backbone-backbone atom pairs, and long backbone-backbone atom pairs associated with a squalane molecule. At high pressures P ≥ 400 MPa, the orientation tensors are better classified by these different pair types rather than strain rate, signaling an overall limited evolution of intramolecular orientation with changes in strain rate. Dimension reduction also finds no clear evidence of the link between shear thinning at high pressures and changes in the intermolecular orientation. The alignment of squalane molecules is found to be saturated over the entire range of rates during which squalane exhibits substantial shear thinning at high pressures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

3D Structure of Oil Droplets in Hardened Geopolymer Emulsions: Impact of Various Commercial Liquid Oils - 20184

Cement-based solidification/stabilization (S/S) is a widely applied technique for the immobilization of inorganic hazardous constituents. However, S/S is considered less compatible for organic liquid waste (OLW) because organic compounds may inhibit binder hydration. Geopolymers (i.e. alumino-silicate materials) are an alternative for applications in which Portland cements are inappropriate. In a previous work, we proposed a direct immobilization of organic liquid waste in a geopolymer binder (GEOIL composite). We demonstrated the feasibility for producing various composites on model system (hexadecane) and on a hydraulic oil, which are dispersed in the geopolymer binder as droplets (10-50 μm typical size). In nuclear facilities, legacy waste based on organic liquids are currently stored. Many of them have been used for various applications in the nuclear industry (lubrication, cutting, analysis, liquid/liquid extraction..) with very wide chemical compositions. In this study, we study the influence of various commercial organic oils immobilized in hardened geopolymer emulsions by X-ray micro-tomography. Image analysis make it possible to determine the 3D spatial and size distributions of oil droplets in geopolymer emulsions. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

A Review of Scalable Hexagonal Boron Nitride ( h -BN) Synthesis for Present and Future Applications

Hexagonal boron nitride (h-BN) is a layered inorganic synthetic crystal exhibiting high temperature stability and high thermal conductivity. As a ceramic material it has been widely used for thermal management, heat shielding, lubrication, and as a filler material for structural composites. Recent scientific advances in isolating atomically thin monolayers from layered van der Waals crystals to study their unique properties has propelled research interest in mono/few layered h-BN as a wide bandgap insulating support for nanoscale electronics, tunnel barriers, communications, neutron detectors, optics, sensing, novel separations, quantum emission from defects, among others. Realizing these futuristic applications hinges on scalable cost-effective high-quality h-BN synthesis. Here, in this work, the authors review scalable approaches of high-quality mono/multilayer h-BN synthesis, discuss the challenges and opportunities for each method, and contextualize their relevance to emerging applications. Maintaining a stoichiometric balance B:N = 1 as the atoms incorporate into the growing layered crystal and maintaining stacking order between layers during multi-layer synthesis emerge as some of the main challenges for h-BN synthesis and the development of processes to address these aspects can inform and guide the synthesis of other layered materials with more than one constituent element. Finally, the authors contextualize h-BN synthesis efforts along with quality requirements for emerging applications via a technological roadmap.

2D materials↗
DOE OSTI2020

Direct Catalytic Conversion of Ethanol to C 5+ Ketones: Role of Pd–Zn Alloy on Catalytic Activity and Stability

Abstract Ethanol can be used as a platform molecule for synthesizing valuable chemicals and fuel precursors. Direct synthesis of C 5+ ketones, building blocks for lubricants and hydrocarbon fuels, from ethanol was achieved over a stable Pd‐promoted ZnO‐ZrO 2 catalyst. The sequence of reaction steps involved in the C 5+ ketone formation from ethanol was determined. The key reaction steps were found to be the in situ generation of the acetone intermediate and the cross‐aldol condensation between the reaction intermediates acetaldehyde and acetone. The formation of a Pd–Zn alloy in situ was identified to be the critical factor in maintaining high yield to the C 5+ ketones and the stability of the catalyst. A yield of >70 % to C 5+ ketones was achieved over a 0.1 % Pd‐ZnO‐ZrO 2 mixed oxide catalyst, and the catalyst was demonstrated to be stable beyond 2000 hours on stream without any catalyst deactivation.

Subramaniam, Senthil↗
DOE OSTI2020

Exploiting nonionic surfactants to enhance fatty alcohol production in Rhodosporidium toruloides

Fatty alcohols (FOHs) are important feedstocks in the chemical industry to produce detergents, cosmetics, and lubricants. Microbial production of FOHs has become an attractive alternative to production in plants and animals due to growing energy demands and environmental concerns. However, inhibition of cell growth caused by intracellular FOH accumulation is one major issue that limits FOH titers in microbial hosts. In addition, identification of FOH-specific exporters remains a challenge and previous studies towards this end are limited. To alleviate the toxicity issue, we exploited nonionic surfactants to promote the export of FOHs in Rhodosporidium toruloides, an oleaginous yeast that is considered an attractive next-generation host for the production of fatty acid-derived chemicals. Our results showed FOH export efficiency was dramatically improved and the growth inhibition was alleviated in the presence of small amounts of tergitol and other surfactants. As a result, FOH titers increase by 4.3-fold at bench scale to 352.6 mg/L. With further process optimization in a 2-L bioreactor, the titer was further increased to 1.6 g/L. The method we show here can potentially be applied to other microbial hosts and may facilitate the commercialization of microbial FOH production.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Thermodynamic Water Activity Explains the Unusual Electrochemical Stability of Aqueous Deep Eutectic Solvents

The presence of water in nonaqueous deep eutectic solvent (DES) electrolytes has been debated in recent years, with efforts ranging from its complete removal to willful addition. It was shown that controlled amounts of water can be beneficial, as it not only enhances the physicochemical properties of these electrolytes but also has no significant detrimental effects on their electrochemical stability. Despite these advantages, there is still limited understanding of how water interacts with DES systems at the molecular level. This study examines the water activity in ethylene glycol and glycerol, as well as their binary mixtures with choline chloride to form the DESs ethaline and glyceline, respectively. In this work, we show that the high electrochemical stability of glyceline is related to its lower water activity compared to ethaline and can be attributed to the robust H-bonding network formed by the three hydroxyl groups of glycerol. Its 3D H-bond network effectively integrates water molecules within its solvent structure, reducing degradation and maintaining stability at higher water contents. The deviations from the ideal Raoult's law behavior are reflected in the water activity and activity coefficients, which highlight the intricate H-bond interactions within DES-water mixtures. Water acts like a lubricant within the more viscous DES mixtures without being detrimental to their electrochemical performance. The presented results emphasize the necessity of customizing DES-water compositions to enhance their performance as electrolytes, especially in flow battery applications where electrochemical stability, ionic conductivity, and fluidity are of utmost importance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Wind turbine main bearing rating lives as determined by IEC 61400‐1 and ISO 281: A critical review and exploratory case study

Abstract This paper studies the rating lives of wind turbine main bearings, as determined by the IEC 61400‐1 and ISO 281 standards. A critical review of relevant bearing life theory and turbine design requirements is provided, including discussion on possible shortcomings such as the existence (or not) of the bearing fatigue load limit and the validity of assuming linear damage accumulation. A detailed exploratory case study is then undertaken to determine rating lives for two models of main bearing in a 1.5 MW wind turbine. Rating life assessment is carried out under different conditions, including various combinations of main bearing temperature, wind field characteristics, lubricant viscosity, and contamination levels. Rating lives are found to be sufficiently above the desired 20‐year design life for both bearing models under expected operating conditions. For the larger bearing, operational loads are shown to be below or close to the bearing fatigue load limit a vast majority of the time. Key sensitivities for rating life values are temperature and contamination. Overall, the results of this study suggest that an ISO 281 rating life assessment does not account for reported rates of main bearing failures in 1 to 3 MW wind turbines. It is recommended that a similar analysis be undertaken for ISO/TS 16281 rating lives, along with further efforts to identify principal root causes of main bearing failures in future work, possibly leading to a new application standard specific to this component. It is also recommended that the impacts of partial wake impingement on main bearing rating lives are investigated.

17 WIND ENERGY↗
DOE OSTI2021

Investigation of main bearing operating conditions in a three-Point mount wind turbine drivetrain

Wear-related failures of spherical roller bearings in the main bearing position of three-point mount wind turbines have been higher than expected and can contribute to higher than anticipated operation-and-maintenance costs. In this paper, the operational conditions of such a main bearing—including measured axial displacement and velocity subject to the estimated axial loads—are described for an instrumented, commercial wind turbine. The field measurements suggest a maximum axial speed between the bearing rings that is less than 2 millimeters per second. It is estimated that the axial speed between the ring and rollers is approximately 25% of this value. When compared to a speed of rolling from approximately 200–352 millimeters per second, the measured axial sliding is therefore significantly less than 1% of the speed of rolling. Previous numerical studies of lubricant film formation in rolling contacts have shown that the effect of axial sliding starts to be noticeable only when this ratio exceeds 10%; therefore, the axial velocity represents only a small disturbance to the nominal pure rolling case, and the influence on oil film building can be neglected. A simple analytic model of the main bearing motion was also developed and demonstrated similar displacement and velocity characteristics.

17 WIND ENERGY↗
DOE OSTI2021

Production of Gaseous Olefins from Syngas over a Cobalt-HZSM-5 Catalyst

Light olefins (C2–C5) are high-value platform chemicals used to produce plastics, lubricants, coating material, and surfactants, and can be intermediates to produce transportation fuels. In this study we report on the development of a Co-based catalyst for direct conversion of fossil as well as biomass derived syngas into light olefins that enables high conversion and olefin/paraffin (O/P) product ratio, minimal selectivity to CO2 (<?1%) and wax formation (C14+ selectivity?<?1%). Over a Co/HZSM-5 bi-functional catalyst 38% CO conversion with C2–C5 olefin selectivity of 48%, and O/P ratio of 4.0 was achieved at 240 °C, 17 bar, and 1.5 L/(g–h). In addition to a gaseous olefin-rich stream a C6–C13 mixed olefin/paraffin liquid byproduct was also produced with 25% selectivity. Both Co loading and the HZSM-5 acidity levels were optimized to maintain the balance between the hydrogenation and the cracking activity to generate high levels of C2–C4 olefins. A suite of catalyst characterization tools were used to correlate the physical and chemical property of the catalyst to the performance of the catalyst towards syngas conversion and C2–C4 olefin selectivity.

Maddi, Balakrishna↗
DOE OSTI2022

Calcium silicate hydrate colloid at different humidities: Microstructure, deformation mechanism, and mechanical properties

Calcium silicate hydrate (C-S-H) is the main hydration product of Portland cement, while fundamental questions persist regarding its colloidal structure and water content. In this work, we developed a full atomistic C-S-H colloid model and investigated the physical and mechanical properties at different gel water concentrations. Water confined in nanometer gel pores degrades the mechanical properties of C-S-H because of its hydrolysis effect. A “ductile to brittle” transition was observed in the C-S-H colloid model with increasing gel water contents, evolving from transgranular failure to intergranular fracture. The gel water confined in nanometer-sized pores displays glassy characteristics, and it acts as a lubricant and facilitates structure distortions during the deformation. We elucidated the topology effect of the hydrogen bond network on the evolution of the viscoelasticity of C-S-H at different humidities. In conclusion, this work sheds light on the role of water in C-S-H colloids from nanostructure perspectives.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Single pot catalyst strategy to branched products via adhesive isomerization and hydrocracking of polyethylene over platinum tungstated zirconia

Hydrocracking is an insufficiently explored route for chemical recycling of plastics waste. Platinum tungstated zirconia (Pt-WZr) was used in a batch reactor at low temperatures of 250 °C and 30 bar H 2 pressure for 1-24 h reaction times using low-density polyethylene (LDPE, M w ~76 kDa). We find Pt-WZr is a bifunctional catalyst for LDPE hydrocracking leading to higher value branched fuel- and lubricant-ranged alkanes. Here we demonstrate that the catalyst metal-to-acid site molar ratio (MAB) shifts the product distribution to larger cracked products and increases the isomerization degree in the residual polymer. We propose a new adhesive isomerization mechanism between the metal and Brønsted acid sites in parallel with slow polymer chain cracking, caused by competitive adsorption of the polymer over the liquid products and stereochemical hindrance of methines. This study provides a blueprint on how to engineer effective catalysts for hydrocracking polyolefin plastic wastes using the MAB as a catalyst descriptor.

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

Multiscale modeling of hydrogenolysis of ethane and propane on Ru(0001): Implications for plastics recycling

Plastic waste presents an environmental threat. Chemical recycling via hydrogenolysis can convert plastic waste into waxes, lubricants, and fuels. Among catalysts, Ru stands out for its superior activity and selectivity. The chemistry of light alkane hydrogenolysis can help understanding plastics deconstruction. Here, we perform first-principles calculations, develop descriptor-based relations, and conduct microkinetic modeling and analysis on ethane and propane. Predictions are in excellent agreement with experimental data. We identify a similar cracking pattern for both hydrocarbons entailing a deeply dehydrogenated species with the removal of four hydrogen atoms: CHCH*+* → 2CH* for ethane and CH 3 CCH*+2* → CH 3 C* + CH* for propane. We find that the rate-determining step is the C-C cracking for ethane and the first dehydrogenation from the terminal carbon (CH 3 CH 2 CH 3 *+* → CH 3 CH 2 CH 2 *+H*) for propane. The vinyl species CH 2 CH* produced from propane cracking is responsible for whether a single or multiple cracking events occur and effectively controls the selectivity. Specifically, ethane formation in propane hydrogenolysis is suppressed at elevated temperatures due to over-cracking via multiple (two here) cracking events being preferred over hydrogenation and desorption of ethane from the catalyst. Our workflow and models provide a baseline for future studies on heavier hydrocarbons. Insights into recent experimental studies of polyethylene over Ru-based catalysts are discussed.

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

Effect of reaction media on hydrogenolysis of polyethylene plastic waste: Polymer-surface interactions in small alkane/polymer blends

The polymer reaction media and its properties can be altered by recycling a fraction of liquid products or adding alkane solvents. Less clear is whether this strategy affects hydrogenolysis. Herein, we investigated the effect of short-chain alkanes C n consisting of n carbons (n=8, 16, and 32) on the upcycling of high-density polyethylene (HDPE) plastic waste to lubricant-range products over Ru/TiO 2 catalysts by multiscale simulations and experiments. First, we trained a force field for polymer/surface interactions on a Ru 22 nanoparticle (NP) supported on TiO 2 . Using replica exchange molecular dynamics simulations, we studied the effect of small hydrocarbons on the adsorption of a surrogate polymer, C 142 , on the catalyst. We found segregation of long chains (C 142 ) at the catalyst surface due to the enthalpy gained by adsorbing more C-C bonds of the long chains, compensating for entropic losses upon adsorption. Short-chain molecules decrease the adsorbed carbons of long chains on the Ru NP due to blocking Ru active sites. Compared to the bulk chains, competitive adsorption results in a broader, heavy-tailed distribution of end-to-end distance of adsorbed chains. Our experiments demonstrated that catalyst activity declines significantly beyond simple dilution due to changes in polymer adsorption, and tuning the reaction media by creating suitable blends impacts hydrogenolysis. Density distributions for a 50:50%wt mixture of PP and PE show that PE chains are segregated at the surface, so they are prone to C-C bond breaking much faster than PP chains. H/D exchange experiments show preferential deuteration of PE, while CH 3 groups of PP remain undeuterated. Furthermore, this may be explained by the preferential sorption of PE over PP, leading to specific distribution in the polymer blend.

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

Creating values from wastes: Producing biofuels from waste cooking oil via a tandem vapor-phase hydrotreating process

Here, this study is focused on producing biofuels from waste oils via a tandem vapor-phase hydrotreating process in a pressurized two-stage fixed bed reactor over a bifunctional Ni/Al 2 O 3 -SiO 2 catalyst under 0.25 MPa H 2 . A 100% hydrodeoxygenation efficiency both in liquid and gas products was observed, yielding 83.9 wt% C 5 -C 19 n-alkanes which corresponds to a 7.4-fold increase compared with that obtained from non-catalytic conversion. The hydrodeoxygenation mechanism of waste cooking oil in the catalytic tandem hydrotreating process induced by Ni/Al 2 O 3 -SiO 2 was proposed. The hydropyrolysis temperature in the first reactor, hydrogenation temperature in the second reactor, reaction pressure, catalyst to waste cooking oil mass ratio, and gas hourly space velocity (GHSV) was optimized at 550 °C, 300 °C, 0.25 MPa, 3, and 56 s -1 , respectively. The application potential of this cascade vapor-phase hydrotreating process was evaluated by employing different waste oils such as palm kernel oil, woody oil (swida wilsoniana), soapstock, and waste lubricating oil as feedstock, giving C 5 to C 19 n-alkane yields ranging from 21.6 to 87.5 wt%. This work provides a novel and promising approach to upcycle waste oils into upgraded biofuels compared with conventional catalytic pyrolysis.

09 BIOMASS FUELS↗
DOE OSTI2021

Experimental study of R452B and R454B as drop-in replacement for R410A in split heat pumps having tube-fin and microchannel heat exchangers

The objective of this study is to experimentally evaluate two residential split heat pumps using low-GWP refrigerants, i.e., R452B and R454B, and compare the results against R410A. In this work, each heat pump used the same model of two-speed scroll compressor, the same indoor blower and outdoor fan. However, they were distinguished by the indoor and outdoor heat exchanger types: tube-fin heat exchangers (TFHXs) in one case, and microchannel heat exchangers (MCHXs) in the other. The two heat pumps were extensively evaluated following the test conditions for two-speed SEER (cooling seasonal energy efficiency rating)/HSPF (heating seasonal performance factor) ratings.In general, these results show that R452B and R454B are good replacement candidates for R410A for heat pump using tube-fin heat exchangers and microchannel heat exchangers. R452B and R454B led to lower capacities. In the TFHX heat pump, on average, compared to the performance of R410A, the cooling capacity of R452B is 96%; the heating capacity of R452B is 91%; the cooling capacity of R454B is 95%, the heat capacity of R454B is 89%. In the MCHX heat pump, the cooling capacity of R452B is 97%; the heating capacity of R452B is 97%; the cooling capacity of R454B is 98%, the heat capacity of R454B is 97%. With respect to cooling and heating seasonal performances, in the TFHX heat pump, the SEERs of R452B and R454B are 1.5% lower than R410A. HSPFs of the three refrigerants are identical. In the MCHX heat pump, R454B has 7% higher SEER, and R452B has 2% higher SEER than R410A; in heating mode, R454B has the same HSPF as R410A, while R452B is 4% more efficient. The compressor lubricant overheating issue of R452B and R454B, at low ambient heating condition, high stage, should be noticed.

42 ENGINEERING↗
DOE OSTI2023

Upgrade of the mechanically pumped CO 2 two-phase cooling system for the alpha magnetic spectrometer on the international space station

This study describes the successful upgrade of a mechanically pumped CO 2 two-phase cooling system in space by designing a new pump module for the Alpha Magnetic Spectrometer-02 on the International Space Station. Key factors for mission success are emphasized, including achieving high coolant filling accuracy within 10% of the target and maintaining system stability within ±1 °C. The impact of adding radiators to improve cooling efficiency is examined, and it is found that operating multi-radiators out-of-phase does not significantly affect system reliability. The centrifugal pump design is shown to allow for better lubricant circulation, while the in-house designed controller incorporates protective measures to prevent cavitation, overheating, and over-current. Further, this research advances the understanding of circulation loop systems and their upgrades in space and demonstrates the potential for extending the lifetime of space-borne mechanically pumped two-phase cooling systems.

42 ENGINEERING↗
DOE OSTI2022

Dynamic, hollow nanotubular networks with superadjustable pH-responsive and temperature resistant rheological characteristics

Recently, the interest in stimuli-responsive and adaptable materials has continuously grown in various fields and applications. For such responsive systems, different triggers, including pH, light, pressure, temperature, and electric field, have been utilized to control dynamics and assembly. Among these, pH is one of the most convenient, energy-efficient, and economic modalities. Besides, plenty of traditional materials have poor thermal and salt stability, limiting their applications. Herein, we report a new design of a pH-responsive viscoelastic supramolecular complex (VSC) based on commplexation of a new long-chain amino-amide and maleic acid. In this study, the system demonstrated a sol–gel-sol transition from pH 2 to 10, with the largest static viscosity occurring at pH 6 (~1000 Pa·s) and the smallest viscosity at pH 4 (~3.3 Pa·s), indicating ~ 300-fold control over the viscosity. For a given concentration, the static viscosity of VSC was about 15 times larger than that of CTAB/NaSal, a well-established dynamic viscoelastic system, and no pH-responsiveness was observed for the traditional system. In addition, the VSC demonstrated a superior temperature tolerance and lower temperature dependence. The potential of these intriguing dynamics viscoelastic systems was evaluated for hydraulic fracturing and enhanced oil recovery applications. Proppant settling velocity of DMAA/MA was 500 ~ 1000 times lower than that of CTAB/NaSal and common traditional polymers. Likewise, the oil recovery percentage could be significantly improved with the utilization of DMAA/MA compared to the CTAB/NaSal (86 % vs 52 %). Aside from applications in hydraulic fracturing and enhanced oil recovery, we anticipate that the intriguing rheological properties of this viscoelastic system can be beneficial for other chemical engineering applications including personal care products, cosmetics, lubricants, and biomedical gels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗