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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

The Search for Nonflammable Solvent Alternatives for Cleaning Aerospace Oxygen Systems

Oxygen systems are susceptible to fires caused by particle and nonvolatile residue (NVR) contaminants, therefore cleaning and verification is essential for system safety. . Cleaning solvents used on oxygen system components must be either nonflammable in pure oxygen or complete removal must be assured for system safety. . CFC -113 was the solvent of choice before 1996 because it was effective, least toxic, compatible with most materials of construction, and non ]reactive with oxygen. When CFC -113 was phased out in 1996, HCFC -225 was selected as an interim replacement for cleaning propulsion oxygen systems at NASA. HCFC-225 production phase-out date is 01/01/2015. HCFC ]225 (AK ]225G) is used extensively at Marshall Space Flight Center and Stennis Space Center for cleaning and NVR verification on large propulsion oxygen systems, and propulsion test stands and ground support equipment. . Many components are too large for ultrasonic agitation - necessary for effective aqueous cleaning and NVR sampling. . Test stand equipment must be cleaned prior to installation of test hardware. Many items must be cleaned by wipe or flush in situ where complete removal of a flammable solvent cannot be assured. The search for a replacement solvent for these applications is ongoing.

Mitchell, Mark↗
NASA NTRS2004

Evaluation of various cleaning methods to remove bacillus spores from spacecraft hardware materials

A detailed study was made of the biological cleaning effectiveness, defined in terms of the ability to remove bacterial spores, of a number of methods used to clean hardware surfaces. Aluminum (Al 6061) and titanium (Ti 6Al-4V) were chosen for the study as they were deemed the two materials most likely to be used in spacecraft extraterrestrial sampler construction. Metal coupons (1 cm x 2.5 cm) were precleaned and inoculated with 5.8 x 10(3) cultivable Bacillus subtilis spores, which are commonly found on spacecraft surfaces and in the assembly environments. The inoculated coupons were subsequently cleaned using: (1) 70% isopropyl alcohol wipe; (2) water wipe; (3) multiple-solvent flight-hardware cleaning procedures used at the Jet Propulsion Laboratory (JPL); (4) Johnson Space Center-developed ultrapure water rinse; and (5) a commercial, semi-aqueous, multiple-solvent (SAMS) cleaning process. The biological cleaning effectiveness was measured by agar plate assay, sterility test (growing in liquid media), and epifluorescent microscopy. None of the cleaning protocols tested completely removed viable spores from the surface of the aluminum. In contrast, titanium was capable of being cleaned to sterility by two methods, the JPL standard and the commercial SAMS cleaning process. Further investigation showed that the passivation step employed in the JPL standard method is an effective surface sterilant on both metals but not compatible with aluminum. It is recommended that titanium (Ti 6Al-4V) be considered superior to aluminum (Al 6061) for use in spacecraft sampling hardware, both for its potential to be cleaned to sterilization and for its ability to withstand the most effective cleaning protocols.

Spores, Bacterial/metabolism↗
DOE OSTI2024

A Green, Fire–Retarding Ether Solvent for Sustainable High–Voltage Li–Ion Batteries at Standard Salt Concentration

Lithium-ion batteries (LIBs) are increasingly encouraged to enhance their environmental friendliness and safety while maintaining optimal energy density and cost-effectiveness. Although various electrolytes using greener and safer glyme solvents have been reported, the low charge voltage (usually lower than 4.0 V vs Li/Li + ) restricts the energy density of LIBs. Herein, tetraglyme, a less-toxic, non-volatile, and non-flammable ether solvent, is exploited to build safer and greener LIBs. It is demonstrated that ether electrolytes, at a standard salt concentration (1 m), can be reversibly cycled to 4.5 V vs Li/Li + . Anchored with Boron-rich cathode-electrolyte interphase (CEI) and mitigated current collector corrosion, the LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) cathode delivers competitive cyclability versus commercial carbonate electrolytes when charged to 4.5 V. Synchrotron spectroscopic and imaging analyses show that the tetraglyme electrolyte can sufficiently suppress the overcharge behavior associated with the high-voltage electrolyte decomposition, which is advantageous over previously reported glyme electrolytes. The new electrolyte also enables minimal transition metal dissolution and deposition. NMC811||hard carbon full cell delivers excellent cycling stability at C/3 with a high average Coulombic efficiency of 99.77%. In conclusion, this work reports an oxidation-resilient tetraglyme electrolyte with record-high 4.5 V stability and enlightens further applications of glyme solvents for sustainable LIBs by designing Boron-rich interphases.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Solubilization of PET in binary mixtures of HFIP and DCM

The dissolution of polyethylene terephthalate (PET) is a critical step for a solvent-based process, yet it typically requires highly corrosive or toxic solvents. Here, we investigate the solubilization and conformational behavior of PET in binary mixtures of hexafluoro-2-propanol (HFIP) and dichloromethane (DCM) as a strategy to reduce HFIP usage while maintaining effective dissolution. Small-angle neutron scattering (SANS) measurements reveal that PET remains molecularly dissolved in HFIP/DCM mixtures up to 50 vol% DCM. Analysis of PET chain conformations shows a transition from Gaussian behavior at low HFIP fractions to more swollen chains at intermediate compositions, accompanied by a counter-intuitive minimum in the radius of gyration at 50% HFIP. Complementary SANS measurements of the binary solvents demonstrate that compositional heterogeneity is maximized at this same solvent composition, suggesting a direct coupling between solvent microstructure and polymer dimensions. Molecular dynamics simulations corroborate the experimental findings, revealing solvent domain formation, preferential solvation of PET by HFIP, and a “caging” effect arising from solvent heterogeneity that leads to polymer coil compaction. Together, these results provide molecular-level insight into polymer behavior in mixed solvent systems and establish HFIP/DCM mixtures as a promising, more sustainable solvent platform for the PET post-process.

Arifuzzaman, Arif [ORNL]↗
DOE OSTI2025

Kinetics for the reaction between the solvated electron and dissolved oxygen in n-dodecane from 2.5 to 40 °C

Temperature-controlled, time-resolved picosecond electron pulse radiolysis was utilized to measure the rate of reaction between the solvated electron (eS–) and dissolved oxygen in n-dodecane solutions from 2.5 to 40 °C for the first time. At 20.0 °C, the reaction rate was determined to be k(eS– + O2) = (4.54 ± 0.21) × 1010 M-1 s-1, with an activation energy of Ea = 14.4 ± 1.3 kJ mol-1. These newly determined kinetic parameters are important for predicting and managing the effects of aerated environments on the degradation of organic solvents used in nuclear fuel reprocessing technologies.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2025

Solvent Dynamics in Gel Polymer Electrolytes for Lithium–Sulfur Batteries

Li−sulfur (Li−S) batteries are promising as the next-generation energy storage technology but face challenges due to sluggish sulfur redox reaction (SRR) kinetics and a sulfur shuttling effect. While many studies have explored polycaprolactone (PCL)-based gel polymer electrolytes (GPEs) to address these issues, the influence of solvent properties, including dielectric constant (ϵ) and donor and acceptor numbers (DN and AN), remain unexplored despite their critical impact on performance and full-scale implementation. This study systematically compares three distinct electrolytes, dimethoxyethane (DME), dimethyl sulfoxide (DMSO), and tetraethylene glycol dimethyl ether (TEGDME)-paired with PCL, to correlate the varied solvent properties and their effects on the physical properties of the GPE, in terms of Li + transport and solvation, and polysulfide’s confinement. Among them, the DME-based GPE, with an intermediate DN, exhibited the lowest crystallinity (2.31%), highest ionic conductivity (7.49 mS/cm), and high Li + transference number (0.77). As a result, it achieved a specific capacity of 795 mAh/g sulfur and an average Coulombic efficiency of 97.5% after 120 cycles at C/5, outperforming its competitors. Operando Raman and UV−vis spectroscopy confirmed that PCL effectively confines long-chain polysulfides within its network, mitigating the shuttle effect and facilitating reversible polysulfide conversion. These findings demonstrate that GPEs with moderate DN values and balanced ϵ significantly enhance stability, extend cycle life, and improve rate performance for Li−S batteries. This work provides valuable insights into the design of advanced electrolyte systems for practical energy storage applications.

25 ENERGY STORAGE↗
DOE OSTI2025

Evaluating the Structural Response of Amphiphilic Monolayers to Environmental Stimuli

Amphiphilic monolayers composed of end groups with distinct polar and nonpolar functional groups offer rapid and reversible interfacial adaptation in response to environmental stimuli such as a change in interfacial medium polarity. We have synthesized and characterized a suite of monolayers with functional groups of competing polarity designed to reconfigure their interfacial chemical composition in response to solvent polarity. In these films, the end group is designed to be able to reorient and expose the functional groups that minimize the interfacial free energy between the film and the environment. Using a combination of spectroscopic, computational, and wettability studies, we have investigated the responsive interfacial behavior of different end groups upon exposure to environments with varying polarities. Contact angle measurements across a series of polar and dispersive probe liquids reveal trends that reflect the underlying molecular flexibility and composition. Vibrational sum frequency generation (SFG) spectroscopy and atomistic molecular dynamics (MD) simulations confirm solvent-driven reorientation of the end groups, with restructuring observed at the interface. To quantify these effects, we have developed a surface energy calculation model that incorporates solvent-induced surface rearrangements into the estimations. Our findings reveal a strong dependence of surface energy and switching behavior on the length and flexibility of the functionalities in the end group, which affects the exposure of certain interfacial compositions under different solvents. These results offer new insights into the design of adaptive monolayers and provide a framework for evaluating solvent-responsive surfaces.

functional groups↗
DOE OSTI2024

Influence of Ti‐incorporated Zeolite Topology and Pore Condensation on Vapor Phase Propylene Epoxidation Kinetics with Gaseous H 2 O 2

Vapor-phase propylene (C 3 H 6 ) epoxidation kinetics with hydrogen peroxide (H 2 O 2 ) strongly reflects the physical properties of Ti-incorporated zeolite catalysts and the presence of spectating molecules (“solvent”) near active sites even without a bulk liquid phase. Steady-state turnover rates of C 3 H 6 epoxidation and product selectivities vary by orders of magnitudes, depending on the zeolite silanol ((SiOH) x ) density, pore topology (MFI, *BEA, FAU), and the quantity of condensed acetonitrile (CH 3 CN) molecules nearby active sites, under identical reaction mechanisms sharing activated H 2 O 2 intermediates on Ti surfaces. Individual kinetic analyses for propylene oxide (PO) ring-opening, homogeneous diol oxidative cleavage, and homogeneous aldehyde oxidation reveal that secondary reaction kinetics following C 3 H 6 epoxidation responds more sensitively to the changes in zeolite physical properties and pore condensation with CH 3 CN. Thus, higher PO selectivities achieved in hydrophilic Ti-MFI at steady-state reflect the preferential stabilization of transition states for C 3 H 6 epoxidation (a primary reaction) relative to PO ring-opening and oxidative cleavage (secondary reactions) that solvation effects that reflect interactions among condensed CH 3 CN within pores and the extended pore structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

Growth of II-VI Solid Solutions in the Presence of a Rotating Magnetic Field

The application of a rotating magnetic field (RMF)in the frequency range 60-400 Hz and field strength of the order of 2-8 mT to crystal growth has received increasing attention in recent years. To take full advantage of the control of fluid flow by the forces applied by the field, the liquid column must be electrically conducting. Also, the application of RMF to the directional solidification of a column of liquid can result in complete mixing in the resultant solid. Thus, the technique of RMF is suited to solvent zones and float zones where the composition of the liquid is more readily controlled. In the work we report on, numerical modeling has been applied to II-VI systems, particularly tellurium based traveling heater techniques (THM). Results for a spectrum of field strengths and acceleration levels will be presented. These show clearly the effects of competing buoyancy forces and electromagnetic stirring. Crystals of cadmium zinc telluride and mercury cadmium telluride have been grown terrestrially from a tellurium solvent zone. The effects of the RMF during these experiments will be demonstrated with micrographs showing etch pits, white beam x-ray synchrotron topographs and triple axis x-ray diffraction.

Gillies, D. C↗
DOE OSTI2025

Influence of substitution pattern on the dynamics of internal conversion and intersystem crossing in thiopyridone isomers

We report a combined experimental and theoretical investigation of the ultrafast internal conversion (IC) and intersystem crossing (ISC) dynamics of two thiopyridone (TP) isomers in solution. Our study used ultrafast transient X-ray absorption spectroscopy (XAS) at the sulfur K-edge, in conjunction with electronic excited state surface hopping molecular dynamics and simulations of the excited state XAS, to investigate the impact of the functional group substitution pattern and solvent on the dynamics of IC and ISC. The combination of the localized X-ray probe and the simulation results enables, in part, the differentiation between ππ* and nπ* character excited states, as well as singlet and triplet states. Access to nπ* character excitations has particular value since they often prove challenging to assess with optical spectroscopy. For 2-TP, the photoexcited S 2 (ππ*) state rapidly undergoes IC to the S 1 (nπ*) state below the instrument response time, followed by ISC to the T 1 (ππ*) state on a timescale of 600 fs in acetonitrile. For 4-TP, the timescale of S 2 to S 1 IC increases to 330 fs and the timescale of ISC increases to more than 10 ps. The differences between isomers are rationalized by considering the key role of the, nπ* intermediates in mediating the intersystem crossing of these systems. Varying the substitution pattern of the molecule can stabilize or destabilize these intermediates leading to the increase in ISC rate in the ortho isomer as compared to the para isomer, while changing the solvent from acetonitrile to water had minimal effect on the electronic excited state relaxation mechanism.

Garratt, Douglas [SLAC National Accelerator Labora↗
NASA NTRS1965

Soluble undercoating facilitates removal of foamed-in-place insulation

Foamed-in-place insulation can be removed and reused by coating the surface with a soluble peel coat before applying the foam mixture. Removal of the insulation is effected by slitting it and pouring a solvent in the slit to dissolve the peel coat. The insulation can then be stripped off intact.

Duncan, A. C.↗
NASA NTRS1990

Cleaning With Supercritical CO2

Supercritical carbon dioxide effective industrial cleaning agent. Replaces conventional halocarbon solvents for degreasing parts becoming coated with oil during such manufacturing procedures as forming and machining. Presents none of environmental threats and occupational hazards associated with halocarbon solvents. Spontaneously evaporates after use and leaves no waste to be disposed of. Evaporated gas readily collected and recycled.

Herzstock, James J.↗
NASA NTRS1996

Instrument Bearing Life with Non-CFC Cleaners

Accelerated bearing life tests were conducted to evaluate the effects of ODC-free bearing cleaning solvents as a replacement to CFC-113. Three chemically different, ODC-free cleaning solvents were tested against the CFC-113 baseline. Test bearings were representative of the type that would be used for a space scanner bearing application. The bearings were lubricated with two space flight oils. Lives with the replacement solvents exceeded those obtained with CFC-113 baseline. Pennzane-lubricated bearings enjoy a 2 to 6X life advantage over those lubricated with Bray 815Z oil.

Loewenthal, Stuart↗
NASA NTRS2009

Functionalizing CNTs for Making Epoxy/CNT Composites

Functionalization of carbon nanotubes (CNTs) with linear molecular side chains of polyphenylene ether (PPE) has been shown to be effective in solubilizing the CNTs in the solvent components of solutions that are cast to make epoxy/CNT composite films. (In the absence of solubilization, the CNTs tend to clump together instead of becoming dispersed in solution as needed to impart, to the films, the desired CNT properties of electrical conductivity and mechanical strength.) Because the PPE functionalizes the CNTs in a noncovalent manner, the functionalization does not damage the CNTs. The functionalization can also be exploited to improve the interactions between CNTs and epoxy matrices to enhance the properties of the resulting composite films. In addition to the CNTs, solvent, epoxy resin, epoxy hardener, and PPE, a properly formulated solution also includes a small amount of polycarbonate, which serves to fill voids that, if allowed to remain, would degrade the performance of the film. To form the film, the solution is drop-cast or spin-cast, then the solvent is allowed to evaporate.

Chen, Jian↗
DOE OSTI2024

Examining the Reactions of Ethanolamine’s Thermal Degradation Compounds in Carbon Capture through 1 H NMR and 13 C NMR

In amine scrubbing carbon capture, concerns about amine solvent degradation include whether it can affect the ability of the solvent to capture CO 2 . This study examines the interactions between the three most reported monoethanolamine (MEA) thermal degradation compounds namely, oxazolidine-2-one (OZD), N-(2-hydroxyethyl)-ethylenediamine (HEEDA), and N-(2- hydroxyethyl)-imidazoline-2-one (HEIA) with CO 2 in the presence and absence of MEA. We compared 1 H NMR, 13 C NMR, and heteronuclear single-quantum coherence (HSQC) NMR for neat OZD, HEEDA, and HEIA samples with CO 2 -loaded samples to observe changes in protonation and unique carbamate species formation. We found that OZD and HEIA did not directly react with CO 2 or undergo proton shifting based on our comparison of the neat OZD and HEIA samples with CO 2 -loaded spectra. However, we observed that the OZD can protonate when sparged with CO 2 in the presence of MEA, which suggests that the OZD acts as an intermediate. The NMR spectra for HEEDA indicated that HEEDA directly reacts with CO 2 at both amino groups and can protonate. In the presence of MEA, HEEDA and MEA can act like a solvent blend, resulting in multiple carbamates forming within the solvent. The neat HEIA spectrum, compared with CO 2 -loaded HEIA spectra, revealed similar results as OZD, where it does not react with CO 2 or protonate directly. However, HEIA does not protonate in the presence of MEA. These degradation compound reactions can increase the number of general equilibrium reactions during carbon capture and impact the model MEA solvent. This work helps provide a more complete picture of the reactions as the solvent degrades. Although this study examines CO 2 effects on thermal degradation products for MEA, other amines such as piperazine or 1- amino-3-propanol will degrade, and the degradation may speciate similarly with CO 2 . Furthermore, this study can impact and improve process models by assessing the degradation compounds’ reactions with CO 2 and potentially incorporating them into the model based on a neat solvent.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2025

Non-solvents as physical blowing agents in printable silicone foams

Silicone foams were produced by dispersing an incompatible liquid phase (i.e. a non-solvent) into an uncured, liquid silicone. The formulation and processing parameters were varied to see the effect on porosity and pore morphology. Specifically, two fluorosilanes were added to stabilize the inclusion of fluorinated solvents as blowing agents. As the floruosilane content increased, the void content increased up to about 44 vol. % when the fluorosilane comprised 18 wt. % of the initial formulation. Fumed silica that was treated with a fluorinated silane was also used to try to stabilize the dispersed liquid. While the fumed silica content did not have a strong effect on the total void content, the morphology changed when silica content changed. Various fluorinated solvents with distinct chemical structures were used as the non-solvent and then removed after curing of the silicone. The interaction of the internal non-solvent phase and the silicone phase was expected to influence the porosity. These insights highlight how the manipulation of formulation and processing parameters, focusing on the inclusion of fluorosilanes and fluorinated solvents, contributes to the understanding of how incompatible liquid phases interact with silicone matrices to control porosity and pore morphology. Additionally, these interactions also influenced processability, leading to formulations that could be printed. Higher content of non-solvent inclusions could increase the yield stress and storage modulus of an uncured formulation, leading to the ability to tune intrastrand porosity while a 3D printed architecture could be modified to introduce porosity between the strands. Furthermore, in addition to fluorinated solvents, we also considered non-fluorinated solvents since these may be more industrially relevant in the future. Overall, this approach provides an alternative route to producing porous foams that can be 3D printed, which could be useful for applications like cushioning and protective gear.

physical blowing agent↗