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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Mean Inner Potential of Liquid Water

Improving our experimental and theoretical knowledge of electric potentials at liquid-solid boundaries is essential to achieve a deeper understanding of the driving forces behind interfacial processes. Electron holography has proved successful in probing solid-solid interfaces but requires knowledge of the materials’ mean inner potential (MIP, V0), which is a fundamental bulk material property. Combining off-axis electron holography with liquid phase transmission electron microscopy (LPTEM), we provide the first quantitative MIP determination of liquid water V0=+4.48±0.19 V. This value is larger than most theoretical predictions, and to explain the disagreement we assess the dominant factors needed in quantum simulations of liquid water. A precise MIP lays the foundations for nanoscale holographic potential measurements in liquids and provides a benchmark to improve quantum mechanical descriptions of aqueous systems and their interfaces in e.g. electrochemistry, solvation processes and spectroscopy.

Yesibolati, Murat N.↗
DOE OSTI2020

Experimental observation of the liquid-liquid transition in bulk supercooled water under pressure

We prepared bulk samples of supercooled liquid water under pressure by isochoric heating of high-density amorphous ice to temperatures of 205 ± 10 kelvin, using an infrared femtosecond laser. Because the sample density is preserved during the ultrafast heating, we could estimate an initial internal pressure of 2.5 to 3.5 kilobar in the high-density liquid phase. After heating, the sample expanded rapidly, and we captured the resulting decompression process with femtosecond x-ray laser pulses at different pump-probe delay times. A discontinuous structural change occurred in which low-density liquid domains appeared and grew on time scales between 20 nanoseconds to 3 microseconds, whereas crystallization occurs on time scales of 3 to 50 microseconds. The dynamics of the two processes being separated by more than one order of magnitude provides support for a liquid-liquid transition in bulk supercooled water.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Microfluidic Liquid-Liquid Extraction Chip with Integrated Raman Sensors (Phase I and Phase II Final Report)

As demand for electricity continues to increase worldwide, the world’s nuclear power generating capacity will continue to grow. Nuclear power is the most environmentally benign way of producing electricity on a large scale. The long-term successful use of nuclear power, however, is critically dependent upon adequate and safe processing and disposal of spent nuclear fuels. A very important feature of nuclear energy is that spent fuels can be reprocessed to recover fissile and fertile materials that can then be used as fresh fuel for nuclear power plants. The DOE-NE Fuel Cycle Research and Development (FCR&D) is currently developing nuclear material reprocessing technologies. In a typical nuclear fuel reprocessing system, centrifugal contactors are used as liquid-liquid extraction devices where two immiscible liquids are mixed at high speeds using a rotor, which creates a fine dispersion of droplets of organic phase in an aqueous phase that contains the analyte. Understanding the extraction efficiency at these contactors through modeling and simulation is important in the development of reprocessing technologies and the optimization of current technologies such as the PUREX process. The outcome of this program will be a liquid-liquid microfluidic flow cell chip with embedded spectroscopic sensors for the analysis of extracted analytes. This device will be useful in the optimization of new fuel reprocessing schemes as well as existing reprocessing processes by providing a microfluidic modeling platform to optimize extraction parameters. The Phase I and Phase II work developed a microfluidic chip design that allows integration of Raman and absorption fiber optic probes and successfully demonstrated the feasibility of using Raman and absorption probes to detect key analytes that partition into the aqueous and organic phases.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1977

Vibrations of incompressible liquid-plastic tank combinations using a series representation of the liquid

A series representation is presented of the dynamic behavior of incompressible non-viscous liquids contained in partially filled elastic shells of revolution. Using a series in which each term satisfies exactly Laplace's equation, the liquid portion of the problem becomes an integral equation on the wetted wall of the shell. Physical insight required in selecting the terms of the series is such that selection may be readily programed on a computer. Liquid-shell vibration interaction is investigated by modifying an existing shell of revolution vibration program with the series expansion of the liquid pressure loading on the wetted shell wall. Application of the modified program is demonstrated on a hemispherical tank and a realistic scaled model of a launch vehicle tank having a more complex geometry. Comparison of the present analysis with a NASTRAN finite element analysis for a hemispherical tank, and comparison with test results for a launch vehicle tank shows excellent agreement and rapid convergence of the series representation of the liquid to the true solution.

Housner, J. M.↗
NASA NTRS1985

The liquid-vapor interface of a binary liquid mixture near the consolute point

The present investigation is concerned with measurements of the reflectance of polarized light by the liquid-vapor interface above liquid mixtures of a fluorocarbon and an alcohol in the vicinity of the consolute point of the liquid mixture. The denser fluorocarbon is preferentially adsorbed at the interface. The denser fluorocarbon is preferentially adsorbed at the interface. The data are consistent with a simple model of the dielectric constant vs height profile in the interface region. Liquid mixtures of isopropanol (i-C3H7OH) and perfluoromethylcyclohexane (C7F14) near their consolute point (Tc = 363 K) are utilized in the conducted experiments. The primary quantity measured is the ellipticity as a function of temperature and liquid composition. Attention is given to details regarding the experimental techniques, model dielectric constant profiles, and the calculation of the ellipticity.

Schmidt, J. W.↗
NASA NTRS1997

Liquid-Liquid Phase Separation in Supersaturated Lysozyme Solutions and Associated Precipitate Formation/Crystallization

Using cloud point determinations, the phase boundaries (binodals) for metastable liquid-liquid (L-L) separation in supersaturated hen egg white lysozyme solutions with 3%, 5%, and 7% (wlv) NaCl at pH= 4.5 and protein concentrations c between 40 and 400 mg/ml were determined. The critical temperature for the binodal increased approximately linearly with salt concentration. The coexisting liquid phases both remained supersaturated but differed widely in protein concentration. No salt repartitioning was observed between the initial and the two separated liquid phases. After the L-L separation, due to the presence of the high protein concentration phase, crystallization occurred much more rapidly than in the initial solution. At high initial protein concentrations, a metastable gel phase formed at temperatures above the liquid binodal. Both crystal nucleation and gel formation were accelerated in samples that had been cycled through the binodal. Solutions in the gel and L-L regions yielded various types of precipitates. Based on theoretical considerations, previous observations with other proteins, and our experimental results with lysozyme, a generic phase diagram for globular proteins is put forth. A limited region in the (T,c) plane favorable for the growth of protein single crystals is delineated.

Muschol, Martin↗
NASA NTRS1999

The Three-D Flow Structures of Gas and Liquid Generated by a Spreading Flame Over Liquid Fuel

We developed a new experimental technique called: Combined laser sheet particle tracking (LSPT) and laser holographic interferometry (HI), which is capable of measuring the transient behavior of three dimensional structures of temperature and flow both in liquid and gas phases. We applied this technique to a pulsating flame spread over n-butanol. We found a twin vortex flow both on the liquid surface and deep in the liquid a few mm below the surface and a twin vortex flow in the gas phase. The first twin vortex flow at the liquid surface was observed previously by NASA Lewis researchers, while the last two observations are new. These observations revealed that the convective flow structure ahead of the flame leading edge is three dimensional in nature and the pulsating spread is controlled by the convective flow of both liquid and gas.

Tashtoush, G.↗
NASA NTRS2023

Comparison of Liquefaction Testing with Liquid Nitrogen and Liquid Oxygen

Liquid nitrogen is often used as a substitute for oxygen testing due to safety concerns, and the general similarity between their fluid properties. During the Cryogenic Fluid In-situ Liquefaction for Landers (CryoFILL) testing, an opportunity arose to compare liquid nitrogen and liquid oxygen behavior using the same test hardware in similar test conditions. Comparative testing would verify whether the system response to nitrogen and oxygen would behave in a similar manner. Tests that were investigated include system boil-off heat load determination, autogenous pressurization, cryocooler loop initiation, and cryocooler loop operations. Results from testing are shown and compared to verify that liquid nitrogen and liquid oxygen tests yield similar system responses, and that nitrogen can be used as a substitute for oxygen in developmental tests at cryogenic temperatures.

Cryogenic Fluid Management↗
NASA NTRSDate not supplied

Measuring the Liquid Helium Volume on XRISM and Predicting the Liquid Lifetime

The XRISM/Resolve instrument uses an adiabatic demagnetization refrigerator (ADR) to cool microcalorimeters to 50 mK. The cryogenic system to support the ADR consists of a liquid helium dewar and 5 cryocoolers that provide a semi-redundant system. Operation of the ADR requires either a liquid helium heat sink at 1.2 K or 4.5 K heat sink provided by a multi-stage cryocooler system. The 5 cryocoolers also provide thermal protection to the liquid helium dewar. To calculate the expected lifetime of the liquid helium system, the liquid helium volume was measured before launch and several techniques were employed to determine on-orbit boil off rate.

Michael Dipirro↗
DOE OSTI2023

LIBS Applications to Liquids and Solids in Liquids

In this chapter, LIBS instrumentation and data collection system used for the analysis of liquids and solids in liquids are discussed. LIBS measurements of bulk liquid samples and solids submerged in aqueous media, measurements made by focusing laser pulses on liquid surfaces, and measurements of liquids after various sample treatments are presented. In addition, the working mechanism of NETL‐developed field‐deployable LIBS sensor and its preliminary performance in field measurements are also reported.

atomic emission spectroscopy↗
DOE OSTI2023

Enhanced, continuous, liquid-liquid extraction and in-situ separation of volatile fatty acids from fermentation broth

In 2018 alone, the US landfilled 35.3 million tons of food waste, about 24% of the total landfilled mass. In addition to the negative impacts landfills have demonstrated on the environment and human health, some states have begun to outlaw or dissuade the disposal of food waste and sewage sludge into landfills altogether. An urgent need has thus been created for the development of digestion processes like anaerobic digestion (AD) and arrested methanogenesis (AM) to convert food waste into valuable chemical products. Unfortunately, the buildup of volatile fatty acids (VFAs) during these processes eventually halts the reaction, and energy efficient methodologies for VFA removal are critical for the operation of fermenters. Additionally, VFAs themselves can serve as valuable chemical precursors, and recently AD processes have been modified to increase VFA production during fermentation. However, even with significant research over the past three decades, the separation of VFAs from the fermenter broth has remained expensive. Moreover, the separation of these VFAs from the fermenter broth may cost up to 50% of the entire process budget, hindering the widespread commercial adoption of AD and AM. Here we present a novel liquid-liquid extraction process termed CLEANS (Continuous Liquid-liquid Extraction And iN-situ Separation) as a highly efficient method for continuously separating VFAs from a real fermentation broth solely under gravity. Our optimized process (using an aqueous broth feed pH of 2.5, tri-noctylamine as an extractant, and a 10:1 ratio of aqueous broth to organic extractant), achieved a VFA distribution constant K D = 44.5 ± 7.9, a single-pass recovery = 81.3 ± 2.5%, and an extraction factor = 8.1 ± 0.3. These KD values are over an order of magnitude higher than what has been previously reported for comparable processes. A high aqueous-to-organic flowrate ratio, enabled for the first time by CLEANS, was found to be particularly crucial for achieving optimal extraction. Our separation process demonstrates excellent reproducibility and potential for scalability. The economic and environmental implications of this work are briefly discussed.

42 ENGINEERING↗
DOE OSTI2022

Advancing Chemical Separations: Unraveling the Structure and Dynamics of Phase Splitting in Liquid–Liquid Extraction

Liquid-liquid extraction (LLE), the go-to process for a variety of chemical separations, is limited by spontaneous organic phase splitting upon sufficient solute loading, called third phase formation. In this study we explore the applicability of critical phenomena theory to gain insight into this deleterious phase behavior with the goal of improving separations efficiency and minimizing waste. Here, a series of samples representative of rare earth purification were constructed to include each of one light and one heavy lanthanide (cerium and lutetium) paired with one of two common malonamide extractants (DMDOHEMA and DMDBTDMA). The resulting postextraction organic phases are chemically complex and often form rich hierarchical structures whose statics and dynamics near the critical point were probed herein with small-angle X-ray scattering and high-speed X-ray photon correlation spectroscopy. Despite their different extraction behaviors, all samples show remarkably similar critical behavior with exponents well described by classical critical point theory consistent with the 3D Ising model, where the critical behavior is characterized by fluctuations with a single diverging length scale. This unexpected result indicates a significant reduction in relevant chemical parameters at the critical point, indicating that the underlying behavior of phase transitions in LLE rely on far fewer variables than are generally assumed. The obtained scalar order parameter is attributed to the extractant fraction of the extractant/diluent mixture, revealing that other solution components and their respective concentrations simply shift the critical temperature but do not affect the nature of the critical fluctuations. These findings point to an opportunity to drastically simplify studies of liquid-liquid phase separation and phase diagram development in general while providing insights into LLE process improvement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Mesostructuring in Liquid–Liquid Extraction Organic Phases Originating from Critical Points

Organic phase structure plays an important role in solute extraction energetics and phase behavior of liquid-liquid extraction (LLE) systems. For a binary extractant (amphiphile)/solvent mixture of relevance to LLE, we find that the organic phase mesostructuring is consistent with extractant concentration fluctuations as the compositional isotherm traverses the Widom line above its liquid-liquid critical point. This reveals a different mechanism for the well-documented heterogeneities in LLE organic phases that are typically attributed to micellization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2015

Comparison of Cryogenic Flow Boiling in Liquid Nitrogen and Liquid Hydrogen Chilldown Experiments

This paper presents a comparison between experimental results from recent liquid hydrogen (LH 2 ) transfer line chilldown experiments at high Reynolds (Re) numbers versus liquid nitrogen (LN 2 ) experiments conducted at low Re numbers. Parasitic heat leak, inner wall temperatures, inner wall heat fluxes, and heat transfer coefficients are computed to compare between the two systems. Analysis of temperature traces and flow visualization indicates that the chilldown process evolves much more rapidly at higher Re numbers due to a quick transition from vapor flow to annular liquid flow and near immediate liquid contact along the pipe walls. The lower kinematic viscosity and surface tension of LH 2 , along with reduced parasitic heat leak and higher Re numbers relative to the LN 2 experiments, causes chilldown to proceed almost immediately into the nucleate boiling regime, in comparison to low Re flows where >75% of the chilldown is spent in vapor film boiling.

Cryogenic Heat Transfer Coefficient↗
DOE OSTI2022

Review of liquid desiccant air dehumidification systems coupled with heat pump: System configurations, component design, and performance

Vapor Compression Systems (VCS) are the most common air conditioning technology. VCS cool the air to its dew point temperature (overcooling) to remove water vapor in the air through condensation and then reheats the air back to the comfort temperature for direct use. The VCS process is inefficient due to overcooling and reheating. Liquid Desiccant Dehumidification (LDD) is a potentially energy-efficient air conditioning. LDD removes water vapor in the process air using liquid desiccant’s high-water affinity. It hybrids with sensible cooling to control temperature and humidity separately. The LD in the LDD becomes weak after dehumidification. The LDD needs additional heating to regenerate the weak Liquid Desiccant (LD) to a high concentration for dehumidification. Earlier versions of the LDD systems use highly concentrated liquid desiccant (large water removal capability) to dehumidify the air by only dealing with latent load. It leads to highly elevated temperatures above 60 °C of heat sources (combustion or electric resistance-based heating) for regeneration. The energy needed for the elevated temperature heat resource significantly reduces or demolishes the benefit of LDD systems. In the recent two decades, researchers have investigated a new configured LDD system that couples an LDD with a heat pump at both dehumidification and regeneration sides for better efficiency. The heat pump provides cooling (from the evaporator) for both dehumidification and sensible cooling and simultaneous heating from the condenser for regeneration. The highly integrated system (HP-LDD) with improved efficiency enables the LDD to operate at lower concentrations and temperatures in dehumidification and regeneration. This paper depicts the working principle behind HP-LDD and its heating and cooling requirements. It reviews the comparison between the HP-LDD systems and the conventional LDD systems regarding system configurations, component design, energy efficiency, and dehumidification performance characteristics. The main findings from the review include the preferred use of packed bed over membrane-based dehumidifiers, the use of internally cooled dehumidifiers enabled by the HP cooling capacity, the high dispersion of HP operation conditions, and the dependence of dehumidification performance on various dehumidifiers. Finally, an outlook for future research on HP-LDD strategies is presented based on the reviewed works and their limitations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

A liquid scintillation detector for radioassay of gadolinium-loaded liquid scintillator for the LZ Outer Detector

© 2019 Elsevier B.V. We report on the design and performance of the LUX-ZEPLIN (LZ) “Screener”, a small liquid scintillator detector consisting of ≈23 kg of LAB-based gadolinium-loaded liquid scintillator (GdLS) to be used in the LZ Outer Detector. The Outer Detector will be filled with 17.3 tonnes of GdLS and will surround the central liquid xenon time projection chamber of LZ. Its primary function will be to tag neutron events in the liquid xenon which could mimic a WIMP dark matter signal. To meet the deadtime requirements for the Outer Detector, the radioimpurity levels in the GdLS must be kept below ≲0.07 mBq/kg. This background level corresponds to a rate of ≈50Hz above an energy threshold of 100 keV. The Screener was operated in the ultra-low-background environment of the former LUX water shield in the Davis Laboratory at the Sanford Underground Research Facility for radioassay of the GdLS. Careful selection of detector materials and use of ultra-low-background PMTs allows the measurement of a variety of radioimpurities. The 14C/12C ratio in the scintillator is measured to be (2.83±0.06(stat.)±0.01(sys.))×10 -17 . Use of pulse shape discrimination allows the concentration of isotopes throughout the 238U, 235U, and 232Th chains to be measured by fitting the collected spectra from α and β events. We find that equilibrium is broken in the 238U and 232Th chains and that a significant portion of the contamination in the GdLS results from decays in the 227Ac subchain of the 235U series. Predictions for the singles rate in the Outer Detector are presented. The rate from radioimpurities above 100 keV in the GdLS is estimated to be 97.9±6.4Hz, with 65.5±1.9Hz resulting from α-decays.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Reinforcement learning based hybrid bond-order coarse-grained interatomic potentials for exploring mesoscale aggregation in liquid–liquid mixtures

Exploring mesoscopic physical phenomena has always been a challenge for brute-force all-atom molecular dynamics simulations. Although recent advances in computing hardware have improved the accessible length scales, reaching mesoscopic timescales is still a significant bottleneck. Coarse-graining of all-atom models allows robust investigation of mesoscale physics with a reduced spatial and temporal resolution but preserves desired structural features of molecules, unlike continuum-based methods. Here, we present a hybrid bond-order coarse-grained forcefield (HyCG) for modeling mesoscale aggregation phenomena in liquid–liquid mixtures. The intuitive hybrid functional form of the potential offers interpretability to our model, unlike many machine learning based interatomic potentials. We parameterize the potential with the continuous action Monte Carlo Tree Search (cMCTS) algorithm, a reinforcement learning (RL) based global optimizing scheme, using training data from all-atom simulations. The resulting RL-HyCG correctly describes mesoscale critical fluctuations in binary liquid–liquid extraction systems. cMCTS, the RL algorithm, accurately captures the mean behavior of various geometrical properties of the molecule of interest, which were excluded from the training set. The developed potential model along with the RL-based training workflow could be applied to explore a variety of other mesoscale physical phenomena that are typically inaccessible to all-atom molecular dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Design of nematic liquid crystals to control microscale dynamics

The dynamics of small particles, both living such as swimming bacteria and inanimate, such as colloidal spheres, has fascinated scientists for centuries. If one could learn how to control and streamline their chaotic motion, that would open technological opportunities in the transformation of stored or environmental energy into systematic motion, with applications in micro-robotics, transport of matter, guided morphogenesis. This review presents an approach to command microscale dynamics by replacing an isotropic medium with a liquid crystal. Orientational order and associated properties, such as elasticity, surface anchoring, and bulk anisotropy, enable new dynamic effects, ranging from the appearance and propagation of particle-like solitary waves to self-locomotion of an active droplet. By using photoalignment, the liquid crystal can be patterned into predesigned structures. In the presence of the electric field, these patterns enable the transport of solid and fluid particles through nonlinear electrokinetics rooted in anisotropy of conductivity and permittivity. Director patterns command the dynamics of swimming bacteria, guiding their trajectories, polarity of swimming, and distribution in space. This guidance is of a higher level of complexity than a simple following of the director by rod-like microorganisms. Namely, the director gradients mediate hydrodynamic interactions of bacteria to produce an active force and collective polar modes of swimming. The patterned director could also be engraved in a liquid crystal elastomer. When an elastomer coating is activated by heat or light, these patterns produce a deterministic surface topography. The director gradients define an activation force that shapes the elastomer in a manner similar to the active stresses triggering flows in active nematics. Finally, the patterned elastomer substrates could be used to define the orientation of cells in living tissues. The liquid-crystal guidance holds a major promise in achieving the goal of commanding microscale active flows.

36 MATERIALS SCIENCE↗