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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Energetics of water expulsion from intervening space between two particles during aggregation

Solvent expulsion away from an intervening region between two approaching particles plays important roles in particle aggregation yet remains poorly understood. Here, in this work, we use metadynamics molecular simulations to study the free energy landscape of removing water molecules from gibbsite and pyrophyllite slit pores representing the confined spaces between two approaching particles. For gibbsite, removing water from the intervening region is both entropically and enthalpically unfavorable. The closer the particles approach each other, the harder it is to expel water molecules. For pyrophyllite, water expulsion is spontaneous, which is different from the gibbsite system. A smaller pore makes the water removal more favorable. When water is being drained from the intervening region, single chains of water molecules are observed in gibbsite pore, while in pyrophyllite pore water cluster is usually observed. Water-gibbsite hydrogen bonds help stabilize water chains, while water forms clusters in pyrophyllite pore to maximize the number of hydrogen bonds among themselves. This work provides the first assessment into the energetics and structure of water being drained from the intervening region between two approaching particles during oriented attachment and aggregation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Discontinuous pore fluid distribution under microgravity--KC-135 flight investigations

Designing a reliable plant growth system for crop production in space requires the understanding of pore fluid distribution in porous media under microgravity. The objective of this experimental investigation, which was conducted aboard NASA KC-135 reduced gravity flight, is to study possible particle separation and the distribution of discontinuous wetting fluid in porous media under microgravity. KC-135 aircraft provided gravity conditions of 1, 1.8, and 10(-2) g. Glass beads of a known size distribution were used as porous media; and Hexadecane, a petroleum compound immiscible with and lighter than water, was used as wetting fluid at residual saturation. Nitrogen freezer was used to solidify the discontinuous Hexadecane ganglia in glass beads to preserve the ganglia size changes during different gravity conditions, so that the blob-size distributions (BSDs) could be measured after flight. It was concluded from this study that microgravity has little effect on the size distribution of pore fluid blobs corresponding to residual saturation of wetting fluids in porous media. The blobs showed no noticeable breakup or coalescence during microgravity. However, based on the increase in bulk volume of samples due to particle separation under microgravity, groups of particles, within which pore fluid blobs were encapsulated, appeared to have rearranged themselves under microgravity.

manned↗
DOE OSTI2022

Multiple experimental studies of pore structure and mineral grain sizes of the Woodford shale in southern Oklahoma, USA

Pore structure study is an important part of unconventional shale reservoir characterization, since the pore system provides the primary petroleum storage space and fluid flow pathways. Previous studies have suggested that the pore structure is related to the total organic carbon (TOC) content, mineral compositions, and the maturity of the organic matter (OM). However, few studies have focused on the mineral grains, the primary grains being deposited but before cementation, which are the building blocks of shale. Eight Woodford Shale outcrop samples from southern Oklahoma were chosen to study the effects of mineral grain size on the pore structure characterization, using multiple and complementary experimental approaches, including laser diffraction, mineralogy, TOC, pyrolysis, liquid immersion porosimetry, mercury intrusion porosimetry, gas physisorption, (ultra) small angle X-ray scattering, scanning electron microscopy, and spontaneous imbibition. The results from different experiments of eight samples show that the Woodford Shale has the mean mineral grain diameters at 3–6 μm, a wide range of porosity at 3–40% and pore diameters at 50–1,000 nm, and various pore connectivity. Grain size variation was probably caused by the sea-level fluctuation during its deposition, which affect the porosity, pore size distribution, and pore connectivity. With decreasing mineral grain sizes, the porosity tends to increase while the pore connectivity worsens. The results also indicate that OM and carbonates in this low-maturity Woodford Shale could block the pores and decrease the porosity. Coupling with the grain size analyses, the control of depositional environment on grain sizes and subsequent effects on pore structure is identified. The pore structure characteristics over a wide pore-diameter range provided by multiple experiments could improve the understanding of storage space and fluid flow in the Woodford Shale to further increase its petroleum production.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

High permeability sub-nanometre sieve composite MoS 2 membranes

Two-dimensional membranes have gained enormous interest due to their potential to deliver precision filtration of species with performance that can challenge current desalination membrane platforms. Molybdenum disulfide (MoS 2 ) laminar membranes have recently demonstrated superior stability in aqueous environment to their extensively-studied analogs graphene-based membranes; however, challenges such as low ion rejection for high salinity water, low water flux, and low stability over time delay their potential adoption as a viable technology. Here, we report composite laminate multilayer MoS 2 membranes with stacked heterodimensional one- to two-layer-thick porous nanosheets and nanodisks. These membranes have a multimodal porous network structure with tunable surface charge, pore size, and interlayer spacing. In forward osmosis, our membranes reject more than 99% of salts at high salinities and, in reverse osmosis, small-molecule organic dyes and salts are efficiently filtered. Finally, our membranes stably operate for over a month, implying their potential for use in commercial water purification applications.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Porous silicon carbide (SiC) semiconductor device

A semiconductor device employs at least one layer of semiconducting porous silicon carbide (SiC). The porous SiC layer has a monocrystalline structure wherein the pore sizes, shapes, and spacing are determined by the processing conditions. In one embodiment, the semiconductor device is a p-n junction diode in which a layer of n-type SiC is positioned on a p-type layer of SiC, with the p-type layer positioned on a layer of silicon dioxide. Because of the UV luminescent properties of the semiconducting porous SiC layer, it may also be utilized for other devices such as LEDs and optoelectronic devices.

Shor, Joseph S.↗
DOE OSTI2023

Deinterpenetration of IRMOF‐9.

One of the iconic characteristics of metal-organic frameworks (MOFs) is the possesssion of guest-accessible pores. Increasing pore size has a direct and often beneficial impact on a MOF's adsorption and separation properties. However, as pore size increases, the resulting void spaces are often filled by interpenetrated frameworks, where one or more networks crystallize within the pore system of another identical network, reducing the MOF's free volume and pore size. Furthermore, due to the thermodynamic favorability of interpenetration during solvothermal synthesis, techniques to synthetically differentiate interpenetrated from non-interpenetrated MOFs are paramount. This study reports the synthesis of deinterpenetrated IRMOF-9 via halide mediated deinterpenetrative conversion of Zn 4 O-derived IRMOF-9. IRMOF-9, when treated with ethylammonium bromide, is quasi-selectively etched, revealing the non-interpenetrated analogue, IRMOF-10 (deinterpenetrated IRMOF-9), which can be isolated prior to complete dissolution by the bromide solution. Dye adsorption, surface area and pore size distribution analysis, and powder X-ray diffraction are consistent with successful deinterpenetration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Pore Formation and Mobility Investigation (PPMI): Description and Initial Analysis of Experiments Conducted aboard the International Space Station

Flow visualization experiments during the controlled directional melt back and re-solidification of succinonitrile (SCN) and SCN-water mixtures were conducted using the Pore Formation and Mobility Investigation (PFMI) apparatus in the glovebox facility (GBX) aboard the International Space Station. The study samples were initially 'cast' on earth under 450 millibar of nitrogen into 1 cm ID glass sample tubes approximately 30 cm in length, containing 6 in situ thermocouples. During the Space experiments, the processing parameters and flow visualization settings are remotely monitored and manipulated from the ground Telescience Center (TSC). The ground solidified sample is first subjected to a unidirectional melt back, generally at 10 microns per second, with a constant temperature gradient ahead of the melting interface. Bubbles of different sizes are seen to initiate at the melt interface and, upon release from the melting solid, translate at different speeds in the temperature field ahead of them before coming to rest. Over a period of time these bubbles dissolve into the melt. The gas-laden liquid is then directionally solidified in a controlled manner, generally starting at a rate of 1 micron /sec. Observation and preliminary analysis of bubble formation and mobility in pure SCN samples during melt back and the subsequent structure resulting during gas generation upon re-solidification are presented and discussed.

Grugel, R. N.↗
NASA NTRS2002

Pore Formation and Mobility Investigation (PFMI): Description and Initial Analysis of Experiments Conducted aboard the International Space Station

Flow visualization experiments during the controlled directional melt back and re-solidification of succinonitrile (SCN) and SCN-water mixtures were conducted using the Pore Formation and Mobility Investigation (PFMI) apparatus in the glovebox facility (GBX) aboard the International Space Station. The study samples were initially "cast" on earth under 450 millibar of nitrogen into 1 cm ID glass sample tubes approximately 30 cm in length, containing 6 in situ thermocouples. During the Space experiments, the processing parameters and flow visualization settings are remotely monitored and manipulated from the ground Telescience Center (TSC). The ground solidified sample is first subjected to a unidirectional melt back, generally at 10 microns per second, with a constant temperature gradient ahead of the melting interface. Bubbles of different sizes are seen to initiate at the melt interface and, upon release from the melting solid, translate at different speeds in the temperature field ahead of them before coming to rest. Over a period of time these bubbles dissolve into the melt. The gas-laden liquid is then directionally solidified in a controlled manner, generally starting at a rate of 1 micron /sec. Observation and preliminary analysis of bubble formation and mobility in pure SCN samples during melt back and the subsequent structure resulting during gas generation upon re-solidification are presented and discussed.

Grugel, R. N.↗
DOE OSTI2026

Processing-Dependent Structure and Poroelasticity of Nafion in Liquid Water

Ionomers act as the solid polymer electrolyte membrane in many modern electrochemical devices, yet the role of their nanostructure in modulating the poroelastic response remains poorly understood, especially in liquid water, where few techniques can measure simultaneous transport-mechanical properties. Poroelastic Relaxation Indentation (PRI) is uniquely suited for measuring time-dependent transport-mechanical properties of porous solids, specifically hydraulic diffusivity, elastic modulus, Poisson’s ratio, and intrinsic permeability, for porous solids. While ionomers such as Nafion are not porous in the typical sense, Nafion has a nanophase-segregated structure that, when fully swollen in liquid water, behaves as a poroelastic solid with a coupled mechanical-transport response. Using a poroelastic framework, we investigate how casting and pretreatment of Nafion membranes alter their poroelastic response in liquid environments. We characterize both extruded and dispersion-cast Nafion membranes pretreated in water at 25 or 100 °C and relate the mechanical-transport properties to the ionomer structure via hydrophilic and intercrystalline domain spacing measured using Small-Angle X-ray Scattering (SAXS). At 25 °C, dispersion-cast membranes exhibit distinctly lower hydraulic diffusivity and intrinsic permeability than extruded membranes but with comparable mechanical properties. Pretreatment at 100 °C increases hydrophilic domain spacing, improving transport but at the expense of mechanical stiffness. Dispersion-cast membranes respond more strongly to pretreatment than extruded membranes. Using the Carman-Kozeny pore network model and the hydrophilic domain-spacing, we estimate the pore radius and tortuosity to show how pretreatment reduces structure-related tortuosity differences between dispersion-cast and extruded membranes. Here, in this work, we show that nanophase-segregated materials such as Nafion can be rigorously characterized using poroelasticity, resulting in physically meaningful transport-mechanical properties. Coupling PRI with SAXS provides insights into the nanostructural features that govern the coupled mechanical-transport response. By establishing PRI for a nanophase-segregated material, this approach opens avenues for this technique’s application in other hydrated polymeric materials not typically considered to be poroelastic.

Shen, Margaret [University of California, Berkeley↗
NASA NTRS2005

Morphological Evolution of Directional Solidification Interfaces in Microgravity: An Analysis of Model Experiments Performed on the International Space Station

A series of experiments performed using the Pore Formation and Mobility Investigation (PFMI) apparatus within the glovebox facility (GBX) on board the International Space Station (ISS) has provided video images of the morphological evolution of a three-dimensional interface in a diffusion controlled regime. The experimental samples were prepared on ground by filling glass tubes, 1 cm ID and approximately 30 cm in length, with "alloys" of succinonitrile (SCN) and water in an atmosphere of nitrogen at 450 millibar pressure. The compositions of the samples processed and analyzed are 0.25,0.5 and 1.0 wt% water. Experimental processing parameters of temperature gradient and translation speed, as well as camera settings, were remotely monitored and manipulated from the ground Telescience Center (TSC) at the Marshall !3pace Flight Center. During the experiments, the sample was first subjected to a unidirectional melt back, generally at 10 microns per second, with a constant temperature gradient ahead of the melting interface. Following the melt back, the interface was allowed to stabilize before translation is initiated. The temperatures in the sample were monitored by six in situ thermocouples and the position is monitored by an optical linear encoder. For the experiments performed and analyzed, the gradients ranged from 2.5 - 3.3 K/mm and the initial pulling velocities ranged from 0.7 micron per second to 1 micron per second with subsequent transition velocities of up to 100 microns per second. The data provided by the PFMI for analysis includes near-real-time (NRT) video captured on the ground during the experiment runs, ISS Video Tape Recorder (VTR) data dumped from the VTR at the end of the experiment run and recorded on the ground, telemetry data including temperature and position measurements, and limited flight HI-8 tapes in 2 camera views of experiment runs for which tapes have been returned to the investigators from ISS. Because of limited down mass from the ISS, the majority of the initial analysis has been performed using the NRT and VTR video data but will be supplemented with the HI-8 video as it becomes available. hardware and procedures required to prepare samples for correlation to flight samples is described. Using this ground-based system, a series of experiments have been performed for direct comparison with the flight data. The results of these comparisons as well as implications to future microgravity experiments are presented and discussed. A ground-based thin-sample directional solidification system as well as all associated

Strutzenberg, Louise L.↗
DOE OSTI2024

Hard carbon with an opened pore structure for enhanced sodium storage performance

The pore structure of hard carbon has a significant impact on its Na + storage capacity. Herein, a waste wood-derived hard carbon with opened pores (OP-HC) was fabricated with polyvinyl pyrrolidone (PVP) as an additive. Ex situ SAXS and HR-TEM testing results indicate that OP-HC with opened pores and enlarged d 002 interlayer spacing facilitates the reversible (de)sodiation of Na + ions. In situ TEM and XRD testing results demonstrate that OP-HC shows excellent structure stability during the (de)sodiation process. Thus, OP-HC delivers a high reversible charge capacity of 350.7 mA h g −1 at 0.05 C and an ultra-high initial Coulombic efficiency (ICE) of 94.9%. Moreover, OP-HC exhibits excellent cycling stability, and the assembled 18650 full cell with an OP-HC anode can achieve a high capacity retention of 94.5% after 400 cycles at 1.0 A. Furthermore, the excellent electrochemical performance and deep insights into OP-HC with opened pores and increased d 002 interlayer spacing offer a new strategy to design high-performance HC anodes for SIBs.

You, Shunzhang↗
DOE OSTI2022

Methods and apparatus to facilitate alkali metal transport during battery cycling, and batteries incorporating same

An anode includes a mixed ionic-electronic conductor (MIEC) with an open pore structure. The open pore structure includes open pores to facilitate motion of an alkali metal into and/or out of the MIEC. The open pore structure thus provides open space to relieve the stresses generated by the alkali metal when charging/discharging a battery. The MIEC is formed from a material that is thermodynamically and electrochemically stable against the alkali metal to prevent the formation of solid-electrolyte interphase (SEI) debris and the formation of dead alkali metal. The MIEC may also be passive (the MIEC does not store or release alkali metal). In one example, the open pore structure may be an array of substantially aligned tubules with a width less than about 300 nm, a wall thickness between about 1 nm to about 30 nm, and a height of at least 10 um arranged as a honeycomb.

Li, Ju↗
DOE OSTI2021

Effect of Pore Connectivity on the Behavior of Fluids Confined in Sub-Nanometer Pores: Ethane and CO2 Confined in ZSM-22

The behavior of fluids under nano-confinement varies from that in bulk due to an interplay of several factors including pore connectivity. In this work, we use molecular dynamics simulations to study the behavior of two fluids—ethane and CO2 confined in ZSM-22, a zeolite with channel-like pores of diameter 0.55 nm isolated from each other. By comparing the behavior of the two fluids in ZSM-22 with that reported earlier in ZSM-5, a zeolite with pores of similar shape and size connected to each other via sinusoidal pores running perpendicular to them, we reveal the important role of pore connectivity. Further, by artificially imposing pore connectivity in ZSM-22 via inserting a 2-dimensional slab-like inter-crystalline space of thickness 0.5 nm, we also studied the effect of the dimensionality and geometry of pore connectivity. While the translational motion of both ethane and CO2 in ZSM-22 is suppressed as a result of connecting the pores by perpendicular quasi-one-dimensional pores of similar dimensions, the effect of connecting the pores by inserting the inter-crystalline space is different on the translational motion of the two fluids. For ethane, pores connected via inter-crystalline space facilitate translational motion but suppress rotational motion, whereas in the case of CO2, both types of motion are suppressed by pore connection due to the strong interaction of CO2 with the surface of the substrate.

Kummali, Mohammed Musthafa (ORCID:000000028082555X↗
NASA NTRS1994

Towards a Modern Theory of Multiphase Filtration Flow

An alternative theoretical model of joint filtration flow of immiscible incompressible fluids is presented. The model takes into account relaxation processes due to the interchange of the fluids between pores of difference sizes which is driven by capillary forces. The fluids occupy connected regions in a four-dimensional space formed by three coordinates and the pore length scale. When the fluid exchange between pores of given sizes is effected by way of successive flow through pores of all the intermediate sizes, the pressure within each region is governed by a hyperbolic equation, the role of time being played by the pore linear scale. Pressure jumps across hypersurfaces separating the regions equal corresponding values of the capillary pressure. A supplementary condition at any such hypersurface requires the speed of its displacement in the four-dimensional space to coincide with the normal velocity components of both the adjoining fluids. As a result, a principally new statement of multiphase filtration flow problems is gained with allowance for capillary relaxation in the porous space.

Buyevich, Yu A.↗
DOE OSTI2023

Molecular mechanisms of thickness-dependent water desalination in polyamide reverse-osmosis membranes

Here, using non-equilibrium molecular simulations, we systematically elaborate the relationships among synthesis (membrane's thickness and morphology), atomic-scale transport mechanism, and separation performance (permeability and selectivity) for 3D-printed polyamide (PA) membranes. Results indicated that water diffusion, swelling ratio, water flux, and water permeance proportionally decrease with increasing membrane thickness (4.0–32.5 nm). PA membranes with different thicknesses can achieve almost 100% salt rejection over the simulation time. Importantly, water permeability exponentially decreases with increasing thickness, and 15 nm is identified as the critical membrane thickness for efficient water transport. The discontinuous water-available space spreads all over PA membranes with thicknesses greater than 5 nm, allowing water molecules to jump by way of the temporary open-and-close pores. However, the connected water-useable space exists in PA membranes with thicknesses below 5 nm, offering the continuous channels to dominate water transport. More significantly, pore distribution is more homogeneous as the thickness increases. The applied high pressures can lead to membrane compaction during reverse osmosis and the thicker membranes show a lower compression ratio. In short, these investigations provide molecular insights for effectively designing and manufacturing PA membranes for water desalination and treatment at the molecular level.

42 ENGINEERING↗
NASA NTRS2004

Direct Observation of Pore Formation and Bubble Mobility during Controlled Melting and Resolidification in Microgravity

Detailed studies on the controlled melting and subsequent re-solidification of succinonitrile were conducted in the microgravity environment aboard the International Space Station (ISS) using the PFMI apparatus (Pore Formation and Mobility Investigation) located in the ISS glovebox facility (GBX). Samples were initially prepared on ground by filling glass tubes, 1 cm ID and approximately 30 cm in length, with pure succinonitrile (SCN) under 450 millibar of nitrogen. During Space processing, experimental parameters like temperature gradient and translation speed, for melting and solidification, were remotely monitored and controlled from the ground Telescience Center (TSC) at the Marshall Space Flight Center. Real time visualization during controlled melting revealed bubbles of different sizes initiating at the solid/liquid interface, and traveling up the temperature gradient ahead of them. Subsequent controlled re-solidification of the SCN revealed the details of porosity formation and evolution. A preliminary analysis of the melt back and re- solidification and its implications to future microgravity materials processing is presented and discussed.

Grugel, Richard N.↗
NASA NTRS2003

Pore Formation and Mobility Investigation (PFMI): Description and Initial Analysis of Experiments Conducted Aboard the International Space Station

Flow Visualization experiments on the controlled melting and solidification of succinonitrile were conducted in the glovebox facility of the International Space Station (ISS). The experimental samples were prepared on ground by filling glass tubes, 1 cm 1D and approximately 30 cm in length, with pure succinonitrile (SCN) under 450 millibar of nitrogen. Porosity in the samples arose from natural shrinkage, and in some cases by direct insertion of nitrogen bubbles, during solidification of the liquid SCN. The samples were processed in the Pore Formation and Mobility Investigation (PFMI) apparatus that is placed in the glovebox facility (GBX) aboard the ISS. Experimental processing parameters of temperature gradient and translation speed, as well as camera settings, were remotely monitored and manipulated from the ground Telescience Center (TSC) at the Marshall Space Flight Center. During the experiments, the sample is first subjected to a unidirectional melt back, generally at 10 microns per second, with a constant temperature gradient ahead of the melting interface. The temperatures in the sample are monitored by six in situ thermocouples. Real time visualization of the controlled directional melt back shows bubbles of different sizes initiating at the melt interface and, upon dislodging from the melting solid, migrating at different speeds into the temperature field ahead of them, before coming to rest. The thermocapillary flow field set up in the melt, ahead of the interface, is dramatic in the context of the large bubbles, and plays a major role in dislodging the bubble. A preliminary analysis of the observed bubble formation and mobility during melt back and its implication to future microgravity experiments is presented and discussed.

Grugel, R. N.↗
NASA NTRS1995

Investigation of Advanced Processed Single-Crystal Turbine Blade Alloys

This investigation studied the influence of thermal processing and microstructure on the mechanical properties of the single-crystal, nickel-based superalloys PWA 1482 and PWA 1484. The objective of the program was to develop an improved single-crystal turbine blade alloy that is specifically tailored for use in hydrogen fueled rocket engine turbopumps. High-gradient casting, hot isostatic pressing (HIP), and alternate heat treatment (HT) processing parameters were developed to produce pore-free, eutectic-free microstructures with different (gamma)' precipitate morphologies. Test materials were cast in high thermal gradient solidification (greater than 30 C/cm (137 F/in.)) casting furnaces for reduced dendrite arm spacing, improved chemical homogeneity, and reduced interdendritic pore size. The HIP processing was conducted in 40 cm (15.7 in.) diameter production furnaces using a set of parameters selected from a trial matrix study. Metallography was conducted on test samples taken from each respective trial run to characterize the as-HIP microstructure. Post-HIP alternate HT processes were developed for each of the two alloys. The goal of the alternate HT processing was to fully solution the eutectic gamma/(gamma)' phase islands and to develop a series of modified (gamma)' morphologies for subsequent characterization testing. This was accomplished by slow cooling through the (gamma)' solvus at controlled rates to precipitate volume fractions of large (gamma)'. Post-solution alternate HT parameters were established for each alloy providing additional volume fractions of finer precipitates. Screening tests included tensile, high-cycle fatigue (HCF), smooth and notched low-cycle fatigue (LCF), creep, and fatigue crack growth evaluations performed in air and high pressure (34.5 MPa (5 ksi)) hydrogen at room and elevated temperature. Under the most severe embrittling conditions (HCF and smooth and notched LCF in 34.5 MPa (5 ksi) hydrogen at 20 C (68 F), screening test results showed increases in fatigue life typically on the order of 1OX, when compared to the current Space Shuttle Main Engine (SSME) Alternate Turbopump (AT) blade alloy (PWA 1480).

Peters, B. J.↗