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DOE OSTI2021

Direct Air Capture of CO2 (DAC) [Tech Snapshot]

Researchers at Los Alamos have extensive capabilities in design, testing and optimization of: (1) new capture materials based on membrane separation, amine and other solvent and sorbent separation, and porous materials; (2) biological capture methods, particularly algae and plants; (3) full-scale systems using science-based virtual learning; and (4) system performance under specific meteorological conditions, impacts of CO2 capture via atmospheric data and simulations, and availability of energy and storage capacity. The goal for Los Alamos is advancing our physical technologies and engineered systems approaches from the development phase to a minimal viable product in the energy sector for commercial purposes. Los Alamos is seeking strategic commercialization partners to work with us in advancing these capabilities and technologies for commercial viability.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1973

Acoustic impedance of curved multilayered duct liners

The effect of curvature of annular duct liners on the liner acoustic impedance is examined. Exact equations are derived for the impedance of point reacting liners which are made from an arbitrary number of thin cylindrical layers of porous material separated by small radially oriented cells. Equations are given for liners with convex curvature and for liners with concave curvature. For ducts with small curvature, it is shown that these equations reduce to the equations for a flat liner. It is shown, by analytical and numerical examples, that the effect of liner curvature is significant in practical noise reduction problems.

Zorumski, W. E.↗

NASA NTRS1995

Influence of Two-Phase Thermocapillary Flow on Liquid Retention in Microscopic Pores

An important feature of screened propellant acquisition devices is the retention capability or maximum maintainable pressure difference across the porous barrier separating the liquid and gas. Previous experiments with liquid hydrogen showed a marked reduction in retention when the tank containing the device was pressurized with hydrogen vapor. These tests, however did not indicate any appreciable degradation in retention with helium pressurization or direct heating through the screen. The objective of this article is to determine if the thermocapillary convection arising from phase change in the microscopic pores of such screens could cause these disparities in performance. A numerical model of flow in a single pore suggests that the thermocapillary-induced gradient in liquid pressure along the surface can strongly affect surface morphology. In an evaporative environment, this gradient exerts a stabilizing influence on surface curvature, and preserves the momentum balance between the liquid and gas. With condensation, it causes a force imbalance and a destabilizing suction in the middle of the pore that reduces retention. Results also indicate that introducing an inert gas, such as helium, suppresses this retention loss mechanism by lowering thermocapillary circulation and its associated interfacial pressure gradient.

Schmidt, George R.↗

NASA NTRS1986

Lead-acid battery

A sealed, low maintenance battery (10, 100) is formed of a casing (14, 102) having a sealed lid (12, 104) enclosing cell compartments (22, 110) formed by walls (24, 132). The cells comprise a stack (26) of horizontally disposed negative active plates (30) and positive active plates (28) interspersed with porous, resilient separator sheets (30). Each plate has a set of evenly spaced tigs (40, 41) disposed on one side thereof; like polarity tigs being disposed on one side and opposite polarity tigs on the other. Columns of tigs are electrically and mechanically joined by vertical bus bars (46). The bus bars contain outwardly projecting arms (56) of opposite polarity which are electrically joined at each partition wall (24) to electrically connect the cells in series. The stack is compressed by biasing means such as resilient pad (58) attached to the lid or by joining the tigs (52) to the post (48) at a distance less than the thickness of the mat (124). The end bus bars (46) are joined to straps (60, 62) which connect to the terminals (16, 18). The negative plates contain more capacity than the positive plates and the starved electrolyte imbibed in the separator sheets permits pressurized operation during which oxygen diffuses through the separator sheet to the negative plate where it recombines. Excess pressure is relieved through the vent and pressure relief valve (20).

Edwards, Dean B.↗

NASA NTRS2019

Novel Electrolytes for Use in Li-Air Batteries for NASA Electric Aircraft

Li-Air batteries are a unique fit for electric aircraft due to their high theoretical energy densities and their potential to leverage on-board oxygen systems. The electrolyte and cathode are the limiting factors for advancing this technology. We are investigating novel "electrolyte and cathode engineering" concepts to enable Li-Air batteries with high practical energy densities, rechargeability and safety. New stable electrolytes and cathodes are being designed and fabricated for Li-Air batteries. An array of various electrolytes were screened and analyzed using NMR and DEMS analysis techniques to understand the fundamental decomposition mechanisms at the cathode surface and within the porous polymer separator. (NMR) spectroscopy has yielded mechanistic insight into decomposition pathway, which is vital to the development of future stable electrolyte candidates. Thus far, five new electrolytes have been screened with 2 showing promising results.

Li-Air↗

DOE OSTI2020

Cooperative chemical adsorption of acid gases in functionalized metal-organic frameworks

A system and method for acid gas separations using porous frameworks of metal atoms coordinatively bound to polytopic linkers that are functionalized with basic nitrogen ligands that expose nitrogen atoms to the pore volumes forming adsorption sites. Adjacent basic nitrogen ligands on the metal-organic framework can form an ammonium from one ligand and a carbamate from the other. The formation of one ammonium carbamate pair influences the formation of ammonium carbamate on adjacent adsorption sites. Adsorption of acid gas at the adsorption sites form covalently linked aggregates of more than one ammonium carbamate ion pair. The acid gas adsorption isotherm can be tuned to match the step position with the partial pressure of acid gas in the gas mixture stream through manipulation of the metal-ligand bond strength by selection of the ligand, metal and polytopic linker materials.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Rechargeable non-aqueous sodium-air batteries

An electrochemical device includes an air cathode using air as the cathodic gas; a discharge product of sodium peroxide dihydrate; an anode comprising sodium metal; a porous fiber separator; and a non-aqueous electrolyte comprising a sodium salt and a solvent.

25 ENERGY STORAGE↗

DOE OSTI2023

Cooperative chemical adsorption of acid gases in functionalized metal-organic frameworks

Long, Jeffrey R.↗

DOE OSTI2024

Tailorable Multi–Modular Pore–Space–Partitioned Vanadium Metal–Organic Frameworks for Gas Separation

Currently, few porous vanadium metal-organic frameworks (V-MOFs) are known and even fewer are obtainable as single crystals, resulting in limited information on their structures and properties. Here this work demonstrates remarkable promise of V-MOFs by presenting an extensible family of V-MOFs with tailorable pore geometry and properties. The synthesis leverages inter-modular synergy on a tri-modular pore-partitioned platform. New V-MOFs show a broad range of structural features and sorption properties suitable for gas storage and separation applications for C 2 H 2 /CO 2 , C 2 H 6 /C 2 H 4 , and C 3 H 8 /C 3 H 6 . The c/a ratio of the hexagonal cell, a measure of pore shape, is tunable from 0.612 to 1.258. Other tunable properties include pore size from 5.0 to 10.9 Å and surface area from 820 to 2964 m 2 g –1 . With C 2 H 2 /CO 2 selectivity from 3.3 to 11 and high uptake capacity for C 2 H 2 from 65.2 to 182 cm 3 g –1 (298K, 1 bar), an efficient separation is confirmed by breakthrough experiments. The near-record high uptake for C 2 H 6 (166.8 cm 3 g –1 ) contributes to the promise for C 2 H 6 -selective separation of C 2 H 6 /C 2 H 4 . The multi-module pore expansion enables transition from C 3 H 6 -selective to more desirable C 3 H 8 -selective separation with extraordinarily high C 3 H 8 uptake (254.9 cm 3 g –1 ) and high separation potential (1.25 mmol g –1 ) for C 3 H 8 /C 3 H 6 (50:50 v/v) mixture.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Electrolyte Compatible Separator Materials for Sodium-Ion Battery

Sodium-ion batteries (NIBs) have emerged as an alternative electrochemical energy storage to replace lithium-ion batteries (LIBs). Separator is one of the key components that dictates the cell performance of NIB. Significant progress has been made in electrolyte research, however for most cases glass fiber has been used as separator due to its remarkable electrolyte wettability despite its many disadvantages. In this study, we evaluated commercially available porous materials as separator material for NIB. Porous polyvinylidene fluoride (PVDF) membrane stands out as a universal separator which exhibits high compatibility with a wide range of electrolytes and electrodes and demonstrates high electrochemical stability evaluated in hard carbon/Na half cells and NaNi 1/3 Fe 1/3 Mn 1/3 O 2 (NFM111)/hard carbon full cells. This research highlights the PVDF membrane as a viable separator for advancing NIB research, enabling the development of new electrolyte materials without the separator constraints of wetting limitations or excessive electrolyte consumption.

Wostoupal, Owen S. [Argonne National Laboratory (A↗

NASA NTRS1989

Space cryogenics components based on the thermomechanical effect - Vapor-liquid phase separation

Applications of the thermomechanical effect has been qualified including incorporation in large-scale space systems in the area of vapor-liquid phase separation (VLPS). The theory of the porous-plug phase separator is developed for the limit of a high thermal impedance of the solid-state grains. Extensions of the theory of nonlinear turbulent flow are presented based on experimental results.

Yuan, S. W. K.↗

NASA NTRS1984

Superfluid helium 2 liquid-vapor phase separation: Technology assessment

A literature survey of helium 2 liquid vapor phase separation is presented. Currently, two types of He 2 phase separators are being investigated: porous, sintered metal plugs and the active phase separator. The permeability K(P) shows consistency in porous plug geometric characterization. Both the heat and mass fluxes increase with K(P). Downstream pressure regulation to adjust for varying heat loads and both temperatures is possible. For large dynamic heat loads, the active phase separator shows a maximum heat rejection rate of up to 2 W and bath temperature stability of 0.1 mK. Porous plug phase separation performance should be investigated for application to SIRTF and, in particular, that plugs of from 10 to the minus ninth square centimeters to 10 to the minus eighth square centimeters in conjunction with downstream pressure regulation be studied.

Lee, J. M.↗

DOE OSTI2020

Designer Metal–Organic Frameworks for Size–Exclusion–Based Hydrocarbon Separations: Progress and Challenges

The separation of hydrocarbons is of primary importance in the petrochemical industry but remains a challenging process. Hydrocarbon separations have traditionally relied predominantly on costly and energy intensive heat-driven procedures such as low temperature distillations. Adsorptive separation based on porous solids represents an alternative technology that is potentially more energy efficient for the separation of some hydrocarbons. Great efforts have been made recently not only on the development of adsorbents with optimal separation performance but also towards the subsequent implementation of adsorption-based separation technology. Emerging as a relatively new class of multifunctional porous materials, metal-organic frameworks hold substantial promise as adsorbents for highly efficient separation of hydrocarbons. This is because of their exceptional and intrinsic porosity tunability which enables size-exclusion based separations that render the highest possible separation selectivity. In this review, we highlight the recent advances in the development of MOFs for separation of selected groups of hydrocarbons, including methane/C2 hydrocarbons, normal alkanes, alkane isomers, alkane/alkene/alkyne, and C8 alkylaromatics, with a particular focus on separations based on size-exclusion mechanism. Insights into tailor-made structures, material design strategies, and structure-property relations will be elucidated. In addition, the existing challenges and possible future directions of this important research field will be discussed.

36 MATERIALS SCIENCE↗

NASA NTRS1995

Transport phenomena in the micropores of plug-type phase separators

This study numerically investigates the transport phenomena within and across a porous-plug phase separator. The effect of temperature differential across a single pore and of the sidewall boundary conditions, i.e., isothermal or linear thermal gradient, are presented and discussed. The effects are quantified in terms of the evaporation mass flux across the boundary and the mean surface temperature. A two-dimensional finite element model is used to solve the continuity, momentum, and energy equations for the liquid. Temperature differentials across the pore interface of 1.0, and 1.5 K are examined and their effect on evaporation flux and mean surface temperature is shown. For isothermal side boundary conditions, the evaporation flux across the pore is directly proportional and linear with Delta T. For the case of an imposed linear thermal gradient on the side boundaries, Biot numbers of 0.0, 0.15, and 0.5 are examined. The most significant effect of Biot number is to lower the overall surface temperature and evaporation flux.

Fazah, M. M.↗

NASA NTRS2003

Base Passive Porosity for Vehicle Drag Reduction

A device for controlling drag on a ground vehicle. The device consists of a porous skin or skins mounted on the trailing surface and/or aft portions of the ground vehicle. The porous skin is separated from the vehicle surface by a distance of at least the thickness of the porous skin. Alternately, the trailing surface, sides, and/or top surfaces of the ground vehicle may be porous. The device minimizes the strength of the separation in the base and wake regions of the ground vehicle, thus reducing drag.

Bauer, Steven X. S.↗

NASA NTRS2003

Base passive porosity for vehicle drag reduction

Bauer, Steven X. S.↗

DOE OSTI2021

Investigation of porous polydimethylsiloxane structures with tunable properties induced by the phase separation technique

This article reports the fabrication and characterization of porous polydimethylsiloxane (PDMS) structures developed by the solvent evaporationinduced phase separation technique. Here, ternary systems containing water/ tetrahydrofuran (THF)/PDMS with various concentrations are produced to form a stable solution. The porous PDMS structures are formed by removing the solvent (THF) and nonsolvent (water) phases during the stepping heat treatment procedure. The analytical ternary phase diagram is constructed based on the thermodynamic equilibrium state in the polymer solution to explain the stable/unstable formulations and the possible composition change path. The results show that the isolated pores with the adjustable pore size ranging from 330 to 1900 μm are obtained by tuning the water to the THF ratio. The mechanical properties of the porous PDMS structures are determined by conducting the tensile tests on the prepared dog bone-shaped specimens. A wide range of elastic modulus ranging between 0.49 and 1.05 MPa was achieved without affecting the density of the porous sample by adjusting the solvent and non-solvent content in the solution. It is shown that the flexibility of the porous structures can be improved by reducing the ratio of water to THF and decreasing the PDMS content. The porosity measurements reveal that the PDMS concentration is the major phase controlling the porosity of the structure, while the effect of water/THF is negligible.

42 ENGINEERING↗

DOE OSTI2021

Pore Distortion in a Metal–Organic Framework for Regulated Separation of Propane and Propylene

The development of porous solids for adsorptive separation of propylene and propane remains an important and challenging line of research. State-of-the-art sorbent materials often suffer from the trade-off between adsorption capacity and selectivity. Here, we report the regulated separation of propylene and propane in a metal–organic framework via designed pore distortion. Here, the distorted pore structure of HIAM-301 successfully excludes propane and thus achieved simultaneously high selectivity (>150) and large capacity (~3.2 mmol/g) of propylene at 298 K and 1 bar. Dynamic breakthrough measurements validated the excellent separation of propane and propylene. In situ neutron powder diffraction and inelastic neutron scattering revealed the binding domains of adsorbed propylene molecules in HIAM-301 as well as host–guest interaction dynamics. This study presents a new benchmark for the adsorptive separation of propylene and propane.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗