Search NASA⌕ Search

SEARCH · Search NASA

Results for “liquid solution”

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

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Decay of the 3D viscous liquid-gas two-phase flow model with damping

We establish the optimal L{sup p} − L{sup 2}(1 ≤ p < 6/5) time decay rates of the solution to the Cauchy problem for the 3D viscous liquid-gas two-phase flow model with damping and analyse the influences of the damping on the qualitative behaviors of solution. It is observed that the fraction effect of the damping affects the dispersion of fluids and enhances the time decay rate of solution. Our method of proof consists of Hodge decomposition technique, L{sup p} − L{sup 2} estimates for the linearized equations, and delicate energy estimates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

From molecular to macroscopic: predicting liquid–liquid phase equilibria and small-angle scattering of mixtures of organic liquids from atomistic simulation using Kirkwood–Buff theory

Macroscopic phase equilibria between solutions define the functionality of many biological and industrial processes, yet they are challenging to predict due to the inherent complexity of liquids containing large molecules. This work introduces an approach for the purely predictive calculation of such phase equilibria in temperature-composition space from molecular dynamics (MD) simulations at one temperature in the single-phase region. We use an approach developed previously to obtain the entropic and enthalpic contributions to the free energy of mixing from the atomic-scale information given by MD simulations via Kirkwood–Buff theory. This allows us to accurately estimate the free energy of mixing as a function of temperature, and thus obtain liquid–liquid phase equilibria, including liquid–liquid critical points, associated binodal and spinodal lines, and composition fluctuations across a region of temperature and composition. Results for binary malonamide–alkane systems are validated by comparison to a direct experimental probe of the fluctuations: the small angle X-ray scattering intensity near zero wavenumber. The MDKB → Phase method demonstrated here provides a significant improvement in predicting liquid–liquid equilibria and free energy as a function of temperature for our systems of interest compared to conventional thermodynamic models. The accurate performance of this purely predictive approach lies in its preservation of atomistic details when determining thermodynamic properties. Furthermore, its inherent extensibility to multi-component systems will likely make the MDKB → Phase approach a valuable general tool for connecting molecular interactions to macroscopic phase equilibria and for the computational screening of materials for targeted thermodynamic behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Vapor‐ and liquid‐phase adsorption of alcohol and water in silicalite‐1 synthesized in fluoride media

Abstract In this work, batch‐adsorption experiments and molecular simulations are employed to probe the adsorption of binary mixtures containing ethanol or a linear alkane‐1, n ‐diol solvated in water or ethanol onto silicalite‐1. Since the batch‐adsorption experiments require an additional relationship to determine the amount of solute (and solvent) adsorbed, as only the bulk liquid reservoir can be probed directly, molecular simulations are used to provide a relationship between solute and solvent adsorption for input to the experimental bulk measurements. The combination of bulk experimental measurements and simulated solute–solvent relationship yields solvent and solute loadings that are self‐consistent with simulation alone, and allow for an assessment of the various assumptions made in the literature. At low solution concentrations, the solute loading calculated is independent of the assumption made. At high concentrations, a negligent choice of assumption can lead to systematic overestimation or underestimation of calculated solute loading.

DeJaco, Robert F.↗
NASA NTRS1977

Mathematical and computational studies of equilibrium capillary free surfaces

The results of several independent studies are presented. The general question is considered of whether a wetting liquid always rises higher in a small capillary tube than in a larger one, when both are dipped vertically into an infinite reservoir. An analytical investigation is initiated to determine the qualitative behavior of the family of solutions of the equilibrium capillary free-surface equation that correspond to rotationally symmetric pendent liquid drops and the relationship of these solutions to the singular solution, which corresponds to an infinite spike of liquid extending downward to infinity. The block successive overrelaxation-Newton method and the generalized conjugate gradient method are investigated for solving the capillary equation on a uniform square mesh in a square domain, including the case for which the solution is unbounded at the corners. Capillary surfaces are calculated on the ellipse, on a circle with reentrant notches, and on other irregularly shaped domains using JASON, a general purpose program for solving nonlinear elliptic equations on a nonuniform quadrilaterial mesh. Analytical estimates for the nonexistence of solutions of the equilibrium capillary free-surface equation on the ellipse in zero gravity are evaluated.

Albright, N.↗
DOE OSTI2022

Efficient Pd on carbon catalyst for ammonium formate dehydrogenation: Effect of surface oxygen functional groups

Formate solution is one of a kind promising liquid organic hydrogen carrier but suffers from kinetic challenges. This study investigates the kinetics of the surfacefunctionalized Pd on carbon catalysts for formate dehydrogenation and the impact of O-functional groups. Here, the fraction of the distinguished O-functional groups was modulated by the different concentrated HNO 3 solutions treatment or by H 2 reduction. This study shows that the O-functional groups play critical roles in dispersing Pd nanoparticles and decreasing the activation energy for dehydrogenation. Density functional theory (DFT) calculation reveals that most O-functional groups enhance formate adsorption on the Pd active site. However, the existence of C=O groups consumes reducing agents and hinders the formation of metallic Pd. The electron transfer from Pd to oxygen functional groups is unfavorable to dehydrogenation. The as-prepared Pd5/re-ACA (reduced activated carbon washed by acid) exhibited significant activity with a higher turnover frequency of 13,511 h -1 than commercial Pd/C.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Nematic director reorientation at solid and liquid interfaces under flow: SAXS studies in a microfluidic device

In this work we investigate the interplay between flow and boundary condition effects on the orientation field of a thermotropic nematic liquid crystal under flow and confinement in a microfluidic device. Two types of experiments were performed using synchrotron small-angle X-ray-scattering (SAXS). In the first, a nematic liquid crystal flows through a square-channel cross section at varying flow rates, while the nematic director orientation projected onto the velocity/velocity gradient plane is measured using a 2D detector. At moderate-to-high flow rates, the nematic director is predominantly aligned in the flow direction, but with a small tilt angle of ~±11° in the velocity gradient direction. The director tilt angle is constant throughout most of the channel width but switches sign when crossing the center of the channel, in agreement with the Ericksen–Leslie–Parodi (ELP) theory. At low flow rates, boundary conditions begin to dominate, and a flow profile resembling the escaped radial director configuration is observed, where the director is seen to vary more smoothly from the edges (with homeotropic alignment) to the center of the channel. In the second experiment, hydrodynamic focusing is employed to confine the nematic phase into a sheet of liquid sandwiched between two layers of Triton X-100 aqueous solutions. The average nematic director orientation shifts to some extent from the flow direction toward the liquid boundaries, although it remains unclear if one tilt angle is dominant through most of the nematic sheet (with abrupt jumps near the boundaries) or if the tilt angle varies smoothly between two extreme values (~90 and 0°). Lastly, the technique presented here could be applied to perform high-throughput measurements for assessing the influence of different surfactants on the orientation of nematic phases and may lead to further improvements in areas such as boundary lubrication and clarifying the nature of defect structures in LC displays.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Surface-Controlled Conversion of Ammonia Borane from Boron Nitride

“One-pot regeneration”, which is simple regneneration method of ammonia borane (AB) using hydrazine and liquid ammonia, enables conversion of AB from hexagonal boron nitride (h-BN) after milling hydrogenation. Solution 11 B-NMR revealed the presence of AB after NH 3 /N 2 H 4 treatment of milled h-BN (BNH x ) although the yield of AB was less than 5%. The conversion mechanism was clarified as B-H bonds on the h-BN surface created by ball-milling under hydrogen pressure have an ability to form AB, which was confirmed by Thermogravimetry-Residual Gas Analysis (TG-RGA) and Infrared (IR) analysis. The reaction routes are also the same as regeneration route of polyborazylene because intermediates of AB such as (B(NH 2 ) 3 and hydrazine borane were found by solution 11 B-NMR after soaking BNH x in liquid NH 3 and hydrazine, respectively. Because of the fact that all reactions proceed on the h-BN surface and no reaction proceeds when neat h-BN is treated, breaking of B 3 N 3 ring structure and then creation of B-H bond is the key issue to increase conversion yield of AB.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Real-time imaging and local elemental analysis of nanostructures in liquids

A new design of in situ liquid cells is demonstrated, providing the first nanometer resolution elemental mapping of nanostructures in solution. Here, the technique has been applied to investigate dynamic liquid-phase synthesis of core–shell nanostructures and to simultaneously image the compositional distribution for multiple elements within the resulting materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Computer code for gas-liquid two-phase vortex motions: GLVM

A computer program aimed at the phase separation between gas and liquid at zero gravity, induced by vortex motion, is developed. It utilizes an explicit solution method for a set of equations describing rotating gas-liquid flows. The vortex motion is established by a tangential fluid injection. A Lax-Wendroff two-step (McCormack's) numerical scheme is used. The program can be used to study the fluid dynamical behavior of the rotational two-phase fluids in a cylindrical tank. It provides a quick/easy sensitivity test on various parameters and thus provides the guidance for the design and use of actual physical systems for handling two-phase fluids.

Yeh, T. T.↗
DOE OSTI2015

Interaction potentials of anisotropic nanocrystals from the trajectory sampling of particle motion using in situ liquid phase transmission electron microscopy

We demonstrate a generalizable strategy to use the relative trajectories of pairs and groups of nanocrystals, and potentially other nanoscale objects, moving in solution which can now be obtained by in situ liquid phase transmission electron microscopy (TEM) to determine the interaction potentials between nanocrystals. Such nanoscale interactions are crucial for collective behaviors and applications of synthetic nanocrystals and natural biomolecules, but have been very challenging to measure in situ at nanometer or sub-nanometer resolution. Here we use liquid phase TEM to extract the mathematical form of interaction potential between nanocrystals from their sampled trajectories. We show the power of this approach to reveal unanticipated features of nanocrystal–nanocrystal interactions by examining the anisotropic interaction potential between charged rod-shaped Au nanocrystals (Au nanorods); these Au nanorods assemble, in a tip-to-tip fashion in the liquid phase, in contrast to the well-known side-by-side arrangements commonly observed for drying-mediated assembly. These observations can be explained by a long-range and highly anisotropic electrostatic repulsion that leads to the tip-selective attachment. As a result, Au nanorods stay unassembled at a lower ionic strength, as the electrostatic repulsion is even longer-ranged. Our study not only provides a mechanistic understanding of the process by which metallic nanocrystals assemble but also demonstrates a method that can potentially quantify and elucidate a broad range of nanoscale interactions relevant to nanotechnology and biophysics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Dielectric Fluids for the Direct Forced Convection Cooling of Power Electronics

The future of electrification of vehicles and other systems will require the creation of high-power density power electronics with low junction-to-fluid thermal resistance cooling solutions. One way to create this solution is to move high-heat-flux liquid cooling (single- or two-phase) as close to the power electronics components as possible. One novel approach involves submersion in dielectric fluids as the cooling solution. We first provide the range of fluid properties and develop a figure of merit (FOM) to aid in dielectric fluid selection. Next, we perform computational fluid dynamics/heat transfer (CFD/HT) modeling using single-phase cooling (submerged jet impingement on an enhanced surface) to validate the dielectric fluid FOM. Results of the study show that the developed FOM is a good representation of the performance of the fluids when compared to the results of the CFD/HT analysis. Both FOM and the CFD/HT analysis show that based on pure thermohydraulic considerations, several commercially available fluids present higher performance, on the order of 5% of water. Finally, the FOM can be used to quickly assess the thermohydraulic performance of a dielectric fluid, as well as the secondary application-specific properties such as boiling point, saturation pressure, flash point, and global warming potential, thereby allowing for fluid candidates to be readily compared.

computational fluid dynamics↗
NASA NTRS2001

First Protein Crystallization Experiments on The International Space Station: Sweet Success in Space With Thaumatin

We determined the room temperature 1.2 A structure of thaumatin using a crystal grown in the first protein crystallization experiment conducted aboard the International Space Station (ISS). The crystals were grown in the Enhanced Gaseous Nitrogen Dewar (EGN) developed by Alexander McPherson and co-workers. EGN transports frozen solutions contained in tygon tubing in a liquid nitrogen Dewar to ISS where the tubes then thaw. Batch, free interface diffusion (FID), or vapor diffusion crystallization occurs after thawing. EGN was flown to the ISS on STS-106 on September 8, 2000. This was a "risk mitigation" flight that tested EGN performance and the process of conducting experiments on ISS. We focused on how to map a hanging drop crystallization recipe to the EGN FID method. Thaumatin was chosen as the test system. Three series of crystallization recipes were set-up. Each series tested different volume ratios of protein-rich solution to precipitant-rich solution. The series differed from each other by fixing either the protein concentration or the amount of protein in the solutions. Upon return of the samples to Earth on October 24 by STS-92, bubbles that spanned the diameter of the tubing were observed in all tubes. Such bubbles interrupt liquid-liquid diffusion and force vapor diffusion equilibration to occur instead. Nonetheless, crystals grew in 9 of 30 tubes. Many large crystals were grown, the largest being 2.0 x 1.1 x 1.0 cubic mm. The largest crystal was used to collect data at room temperature on beamline 7-1 of the Stanford Synchrotron Radiation Source to a maximum resolution of 1.2 A. The structure was refined anisotropically using SHELX with a data to parameter ratio of 4.5 to give an R(sub factor) of 15.8% (R(sub free) = 18.2%) for ail reflections without generated hydrogens. This refinement is proceeding. Comparisons of this 1.2 A microgravity structure to previous reports of the thaumatin structure at 1.75 A and to ground control crystals will be presented.

Kundrot, Craig E.↗
NASA NTRS1996

Control of Flowing Liquid Films By Electrostatic Fields in Space

A novel type of lightweight space radiator has been proposed which employs internal electrostatic fields to stop coolant leaks from punctures caused by micrometeorites or space debris. Extensive calculations have indicated the feasibility of leak stoppage without film destabilization for both stationary and rotating designs. Solutions of the evolution equation for a liquid-metal film on an inclined plate, using lubrication theory for low Reynolds numbers, Karman-Pohlhausen quadratic velocity profiles for higher Reynolds numbers, and a direct numerical solution are shown. For verification an earth-based falling-film experiment on a precisely-vertical wall with controllable vacuum on either side of a small puncture is proposed. The pressure difference required to start and to stop the leak, in the presence and absence of a strong electric field, will be measured and compared with calculations. Various parameters, such as field strength, film Reynolds number, contact angle, and hole diameter will be examined. A theoretical analysis will be made of the case where the electrode is close enough to the film surface that the electric field equation and the surface dynamics equations are coupled. Preflight design calculations will be made in order to transfer the modified equipment to a flight experiment.

Bankoff, S. George↗
DOE OSTI2015

Direct Observation of Wet Biological Samples by Graphene Liquid Cell Transmission Electron Microscopy

Recent development of liquid phase transmission electron microscopy (TEM) enables the study of specimens in wet ambient conditions within a liquid cell; however, direct structural observation of biological samples in their native solution using TEM is challenging since low-mass biomaterials embedded in a thick liquid layer of the host cell demonstrate low contrast. Furthermore, the integrity of delicate wet samples is easily compromised during typical sample preparation and TEM imaging. To overcome these limitations, we introduce a graphene liquid cell (GLC) using multilayer graphene sheets to reliably encapsulate and preserve biological samples in a liquid for TEM observation. We achieve nanometer scale spatial resolution with high contrast using low-dose TEM at room temperature, and we use the GLC to directly observe the structure of influenza viruses in their native buffer solution at room temperature. The GLC is further extended to investigate whole cells in wet conditions using TEM. We also demonstrate the potential of the GLC for correlative studies by TEM and fluorescence light microscopy imaging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Liquid centrifugation-based isotope separation of 7 Li, 37 Cl and D

Liquid centrifugation is an emerging method to separate isotopes. By spinning a liquid containing target isotopes (e.g., pure chemical or solution), the heavier isotope will be enriched at the outer part of a centrifuge, and the lighter ones will be enriched at the inner part of a centrifuge. The separation capability is positively correlated with rotation speed, outer radius and mass difference between isotopes to separate. This award targets to understand whether liquid centrifugation is effective in separating isotopes important for nuclear fission technologies. The results include the following three sections: 1) Effects of solute concentration on isotope separation; 2) Preliminary progress of building a low-speed countercurrent centrifuge, and 3) Analysis on possible candidates for 7 Li and 37 Cl. The award trained one research scientist, one Ph.D. student, one master student, and one undergraduate on liquid centrifugation and isotope measurements.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2026

Ionic Liquid‐Driven Modulation of DNA Brush Morphology on Nanoparticle Surfaces

Here, the morphology of DNA is strongly influenced by its surrounding environment, including factors such as pH, salt type and valency, and the presence of polymers. Inorganic salts are known to reduce the DNA chain length through mechanisms like electrostatic screening and ion bridging. In contrast, ionic liquids, a new class of organic salts, have previously been found to increase the DNA chain length, indicating a distinct mode of interaction between the ionic liquid and DNA chains. This study utilizes self-assembled DNA-AuNPs as a model system to examine changes in the DNA chain morphology and the nanoscale interaction mechanisms in an ionic liquid environment. The DNA chain lengths are measured in solution using X-ray scattering measurements at varying concentrations of two imidazolium ([$BMIM$] acetate and [$EMIM$] acetate) based ionic liquids. Additionally, Molecular Dynamics (MD) simulations are performed mimicking the experimental system. Our results suggest an interplay of electrostatic and groove-binding interactions governing the DNA chain morphology, which depends on IL concentration and the composition of the DNA chains. It has been found that for DNA chains with majority ssDNA, electrostatic interaction dominate, however with increasing composition of double strands, the DNA chains exhibit compaction due to a non-electrostatic hydrophobic groove-binding mechanism.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1977

Axially grooved heat pipe study

A technology evaluation study on axially grooved heat pipes is presented. The state-of-the-art is reviewed and present and future requirements are identified. Analytical models, the Groove Analysis Program (GAP) and a closed form solution, were developed to facilitate parametric performance evaluations. GAP provides a numerical solution of the differential equations which govern the hydrodynamic flow. The model accounts for liquid recession, liquid/vapor shear interaction, puddle flow as well as laminar and turbulent vapor flow conditions. The closed form solution was developed to reduce computation time and complexity in parametric evaluations. It is applicable to laminar and ideal charge conditions, liquid/vapor shear interaction, and an empirical liquid flow factor which accounts for groove geometry and liquid recession effects. The validity of the closed form solution is verified by comparison with GAP predictions and measured data.

Source record↗
DOE OSTI2022

Influence of the Anions on the Interaction Energy between Water and Ionic Liquids

It is essential to understand the interaction energy between water and ionic liquids (ILs) in search of ILs for dehumidification applications. In this paper, the intermolecular interaction energy between water and 1-ethyl-3-methylimidazolium ([EMIM])-based ILs was investigated. The vapor-liquid equilibrium data were first measured for solutions of [EMIM][BF 4 ], [EMIM][N(CN) 2 ], [EMIM][CF 3 SO 3 ], and [EMIM][CH 3 SO 3 ] with water molar fractions of 8–95 % at temperatures of 303–343 K. The IL-IL and water-IL intermolecular interaction energies were determined by using the correlated non-random two-liquid model. The results revealed that fluorine atoms in anions reduce the attraction energy between IL and water, and thus, decrease the water affinity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗