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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Investigating Liquid Water Transport in Different Pore Structure of Gas Diffusion Layers for PEMFC Using Lattice Boltzmann Method

Proton exchange membrane fuel cells (PEMFC) require a gas diffusion layer (GDL) to aid in the transport of liquid fuel to the catalyst layer. In this work, direct modeling using the Lattice Boltzmann Method (LBM) was applied to X-ray CT scans of four different carbon gas diffusion layers to understand the mass transport properties through the samples. Three injection orientations were used to study local saturation levels, water evolution through the sample, and mass transport behavior at breakthrough conditions. The LBM, combined with computational fluid dynamic modeling techniques, can accurately predict liquid saturation at the macro and micro scale, which provides more insight into the mass transport phenomena through the GDL. The change of pore structure and orientation in both the in-plane and through-plane determines the path that liquid water must take, which could aid or impact PEMFC performance. The outcomes from this work will also benefit any research that needs knowledge of internal mass transport qualities of gas diffusion media.

Sepe, M.↗
DOE OSTI2021

An octanol hinge opens the door to water transport

Despite their pharmacological relevance, the mechanism of transport across water/octanol phase boundaries has remained unexplored. Octanol molecular assemblies are demonstrated to reversibly bind water and swing like the hinge of a door.

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

Leaf habit affects the distribution of drought sensitivity but not water transport efficiency in the tropics

Abstract Considering the global intensification of aridity in tropical biomes due to climate change, we need to understand what shapes the distribution of drought sensitivity in tropical plants. We conducted a pantropical data synthesis representing 1117 species to test whether xylem‐specific hydraulic conductivity (K S ), water potential at leaf turgor loss (Ψ TLP ) and water potential at 50% loss of K S (Ψ P50 ) varied along climate gradients. The Ψ TLP and Ψ P50 increased with climatic moisture only for evergreen species, but K S did not. Species with high Ψ TLP and Ψ P50 values were associated with both dry and wet environments. However, drought‐deciduous species showed high Ψ TLP and Ψ P50 values regardless of water availability, whereas evergreen species only in wet environments. All three traits showed a weak phylogenetic signal and a short half‐life. These results suggest strong environmental controls on trait variance, which in turn is modulated by leaf habit along climatic moisture gradients in the tropics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Stereochemical Control of Water Transport Properties in Thiol‐yne Polymers

Barrier polymers underpin almost every commercial sector, yet the needs of several emerging areas remain unmet by commercially‐available materials, including temporary orthopedic implants, transient health monitors, neural implants, and other long‐term implants. The ability to tune polymer composition independently of polymer structure positions thiol‐yne click chemistry as a promising platform to serve these emerging technologies. Here, this work describes the differences in the hierarchical structure of stoichiometrically identical materials which differ only in the proportion of the cis versus trans backbone alkene stereochemistry. Varying the isomer content in this way directs different temperature and rate dependent crystallization behavior, which affords control over micron‐scale structure. This investigation focuses on how these stereochemical features affect the water vapor permeation process by several methods and develops an understanding of how this unique structural regularity improves barrier performance relative to a commercially available water barrier polymer, poly(ethylene terephthalate).

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Water transport properties of virtual fractal porous media: Implications for the unsaturated transport properties of cement-based materials

Cement-based materials are more and more recognized as fractal materials. From a practical point of view, fractality means that the pore size distribution can be described using fractal scaling law (i.e. power functions). Here, the simplest scaling law making use of a single fractal dimension was used to generate simple and virtual fractal porous media (based on bundles of parallel cylindrical pores). The capillary curve and permeability (relative and intrinsic) of the virtual porous media were then estimated through theoretical and numerical approaches. The results show that: (1) although bereft of any physical basis, van Genuchten equation bears some fractal information; (2) although highly flexible, van Genuchten equation fails to perfectly fit the capillary curves and can thus generate error in inverse analysis (for intrinsic permeability evaluation) and (3) there seems to be a relation between the intrinsic permeability and van Genuchten pressure parameter.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Water transport pathway in clay interlayer upon dehydration [Slides]

Smectite (e.g., Montmorillonite): phyllosilicate minerals found in bentonites. Bentonites have been considered as key backfill barrier materials in deep geological nuclear waste repository concepts. Swelling/shrinking of montmorillonite (MMT) occurs with increasing/decreasing relative humidity. Our research question is, "Microscopically, how does the hydration/dehydration process occur?"

36 MATERIALS SCIENCE↗
DOE OSTI2020

Water transport pathway in clay interlayer upon dehydration [Slides]

Smectite (e.g., Montmorillonite): phyllosilicate minerals found in bentonites. Bentonites have been considered as key backfill barrier materials in deep geological nuclear waste repository concepts. Swelling/shrinking of montmorillonite (MMT) occurs with increasing/decreasing relative humidity. Microscopically, how does the hydration/dehydration process occur?

36 MATERIALS SCIENCE↗
DOE OSTI2022

Self-Adhesive Ionomers for Alkaline Electrolysis: Optimized Hydrogen Evolution Electrode

Hydrogen produced through low-temperature water electrolysis using anion exchange membranes (AEM) combines the benefits of liquid-electrolyte alkaline electrolysis and solid-polymer proton exchange membrane electrolysis. The anion conductive ionomers in the oxygen-producing anode and hydrogen-producing cathode are a critical part of the three-dimensional electrodes. The ionomer in the hydrogen-producing cathode facilitates hydroxide ion conduction from the cathode catalyst to the anode catalyst, and water transport from the anode to the cathode catalyst through the AEM. This ionomer also binds the catalyst particles to the porous transport layer. Here in this study, the cathode durability was improved by use of a self-adhesive cathode ionomer to chemically bond the cathode catalyst particles to the porous transport layer. It was found that the cathode ionomers with high ion exchange capacity (IEC) were more effective than low IEC ionomers because of the need to transport water to the cathode catalyst and transport hydroxide away from the cathode. The cathode durability was improved by using ionomers which were soluble in the spray-coated cathode ink. Optimization of the catalyst and ionomer content within the cathode led to electrolysis cells which were both mechanically durable and operated at low voltage.

08 HYDROGEN↗
DOE OSTI2025

A Full-Cell Model for Direct Toluene Electro-Hydrogenation Electrolysis

Liquid organic hydrogen carriers (LOHCs) are organic molecules that undergo a hydrogenation/dehydrogenation cycle to enable storage and transportation of hydrogen fuel under ambient conditions. One promising LOHC candidate is toluene, which can be converted to methylcyclohexane (MCH) electrochemically, enabling a decarbonized process when green electricity is used. In this study, we developed a full-cell model for the direct electro-hydrogenation of toluene to MCH, utilizing a zero-gap membrane electrode assembly architecture. The model incorporates electrochemical kinetics, ionic transport, water transport across the membrane, and mass transport effects. Electrochemical kinetics are characterized using Tafel analysis on Pt/Ru catalyst. The model is validated against experimental data, including polarization curves, Faradaic efficiencies, and water crossover. A voltage breakdown analysis shows that the performance is dominated by kinetic losses, and the model is used to carry out a comparison of different toluene electro-hydrogenation reaction catalysts. Finally, a sensitivity analysis is conducted on key design parameters illustrating which can be modified to maximize electrolyzer performance. The cathode specific surface area and cathode porous transport layer thickness (PTL) have the largest impact on the current density, while the PTL thickness and Pt loading in the PTL have the largest impact on Faradaic efficiency.

Ehlinger, Victoria M. [Lawrence Livermore National↗
DOE OSTI2022

Differences in water and vapor transport through angstrom-scale pores in atomically thin membranes

Abstract The transport of water through nanoscale capillaries/pores plays a prominent role in biology, ionic/molecular separations, water treatment and protective applications. However, the mechanisms of water and vapor transport through nanoscale confinements remain to be fully understood. Angstrom-scale pores (~2.8–6.6 Å) introduced into the atomically thin graphene lattice represent ideal model systems to probe water transport at the molecular-length scale with short pores (aspect ratio ~1–1.9) i.e., pore diameters approach the pore length (~3.4 Å) at the theoretical limit of material thickness. Here, we report on orders of magnitude differences (~80×) between transport of water vapor (~44.2–52.4 g m −2 day −1 Pa −1 ) and liquid water (0.6–2 g m −2 day −1 Pa −1 ) through nanopores (~2.8–6.6 Å in diameter) in monolayer graphene and rationalize this difference via a flow resistance model in which liquid water permeation occurs near the continuum regime whereas water vapor transport occurs in the free molecular flow regime. We demonstrate centimeter-scale atomically thin graphene membranes with up to an order of magnitude higher water vapor transport rate (~5.4–6.1 × 10 4 g m −2 day −1 ) than most commercially available ultra-breathable protective materials while effectively blocking even sub-nanometer (>0.66 nm) model ions/molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Water vapor transport through bioenergy grass residues and its effects on soil water evaporation

Miscanthus is a productive perennial grass that is suitable as a bioenergy crop in “marginal” lands (e.g., eroded soils) with low water holding capacity. However, little is known about the impact of miscanthus residues on vapor transport and soil water budgets. Laboratory experiments were conducted to measure the vapor conductance through miscanthus residues and its effect on soil water evaporation. The ranges for the length, width, and thickness of residue elements were 0.5–9.0, 0.1–0.5, and 0.1–0.5 cm, respectively. Average residue areal, bulk, and skeletal densities were 0.88 kg m –2 , 24 kg m –3 , and 1006 kg m –3 , respectively, giving a porosity of 0.98 m 3 m –3 . A power function described the decrease in conductance with increasing residue load. The corresponding conductance for a residue load of 0.88 kg m –2 was 1.6 mm s –1 . During the first days of a 60-day drying experiment, cumulative evaporation showed logarithmic decay with increasing residue load. Conversely, cumulative evaporation during the last days of the study showed little difference between treatments. Measurements indicated that there is a “critical” residue load (~1.0 kg m –2 ) beyond which evaporation no longer decreases appreciably when the soil is under the stage 1 evaporation regime. Results suggest that soil water conservation in marginal lands may be accomplished by maintaining moderate amounts of bioenergy grass residue covering the soil. Determining “critical” loads for different residue types is a knowledge gap that merits further research.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Diethylenetriamine-functionalized graphene oxide: Insights into ion adsorption and applications in rare earth element separation

The growing demand for critical minerals and materials requires atom- and energy-efficient, selective separations to overcome the challenges posed by the similar chemical and physical properties of the rare earth elements (REEs) and their low concentrations in unconventional domestic feedstocks. Here, in this study, we developed diethylenetriamine-functionalized graphene oxide (DETA-GO) as a membrane material for REE adsorption and separation. Synthesis conditions were optimized to maximize nitrogen incorporation while also preserving GO dispersibility for facile membrane fabrication. We investigated the mechanism of amine functionalization, the nitrogen-bonding configurations, the organization of the interlayer transport channels, and the resulting effects on ion and water transport for REE separations. Neat-GO and DETA-GO multilayer laminate membranes were fabricated by vacuum filtration onto polymer supports. To investigate the effects of amine functionalization, the membranes were characterized using scanning electron microscopy, Raman, Fourier transform infrared, and X-ray photoelectron spectroscopy, as well as grazing-incidence X-ray diffraction measurements. Ion permeation experiments with representative lanthanum (La 3+ ) and ytterbium (Yb 3+ ) solutions revealed enhanced ion adsorption and water transport through DETA-GO membranes compared to neat-GO. The strong affinity of the membranes for multivalent REEs was also validated with conductivity and inductively coupled plasma mass spectrometry measurements. Atomistic insight into the role of amine functionalization in modulating nanochannel architecture and long-term stability, optimizing adsorption sites, and regulating REE and water transport was obtained using classical molecular dynamics simulations. Collectively, our joint experimental and theoretical study demonstrates the potential of DETA-GO membranes for selective REE separations, offering insights into ion-binding mechanisms, water-transport properties, and nanochannel optimization for the recovery of critical materials from aqueous feedstocks.

Adsorbent↗