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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Membrane separation of ionic liquid solutions

A membrane separation process using a highly fluorinated polymer membrane that selectively permeates water of an aqueous ionic liquid solution to provide dry ionic liquid. Preferably the polymer is a polymer that includes polymerized perfluoro-2,2-dimethyl-1,3-dioxole (PDD). The process is also capable of removing small molecular compounds such as organic solvents that can be present in the solution. This membrane separation process is suitable for drying the aqueous ionic liquid byproduct from precipitating solutions of biomass dissolved in ionic liquid, and is thus instrumental to providing usable lignocellulosic products for energy consumption and other industrial uses in an environmentally benign manner.

09 BIOMASS FUELS↗
NASA NTRS1996

Permeation of protons, potassium ions, and small polar molecules through phospholipid bilayers as a function of membrane thickness

Two mechanisms have been proposed to account for solute permeation of lipid bilayers. Partitioning into the hydrophobic phase of the bilayer, followed by diffusion, is accepted by many for the permeation of water and other small neutral solutes, but transient pores have also been proposed to account for both water and ionic solute permeation. These two mechanisms make distinctively different predictions about the permeability coefficient as a function of bilayer thickness. Whereas the solubility-diffusion mechanism predicts only a modest variation related to bilayer thickness, the pore model predicts an exponential relationship. To test these models, we measured the permeability of phospholipid bilayers to protons, potassium ions, water, urea, and glycerol. Bilayers were prepared as liposomes, and thickness was varied systematically by using unsaturated lipids with chain lengths ranging from 14 to 24 carbon atoms. The permeability coefficient of water and neutral polar solutes displayed a modest dependence on bilayer thickness, with an approximately linear fivefold decrease as the carbon number varied from 14 to 24 atoms. In contrast, the permeability to protons and potassium ions decreased sharply by two orders of magnitude between 14 and 18 carbon atoms, and leveled off, when the chain length was further extended to 24 carbon atoms. The results for water and the neutral permeating solutes are best explained by the solubility-diffusion mechanism. The results for protons and potassium ions in shorter-chain lipids are consistent with the transient pore model, but better fit the theoretical line predicted by the solubility-diffusion model at longer chain lengths.

NASA Program Exobiology↗
DOE OSTI2023

Moisture-driven CO 2 pump for direct air capture

Direct Air Capture, the chemical separation of carbon dioxide (CO 2 ) from air, is considered a necessary approach to generate negative carbon emissions and in turn limit global warming, though energetic and monetary costs must continue to decline to meet the needed gigaton scale. The promise of energy-efficient and continuous carbon dioxide membrane separation has only recently been investigated with the development of facilitated chemical transport and novel electrochemically driven methods. This work demonstrates the potential for continuous pumping of CO 2 from air using commercial anion exchange membranes driven solely by a water vapor gradient. A reactive transport model that couples ionic transport with moisture sensitive bicarbonate chemistry in charged polymers, also termed moisture swing sorption, was developed alongside experimentally measured equilibrium and transport properties of CO 2 and water vapor in Fumasep FAA-3 to determine the mass transport limits of such a system. The results show that the commercial membrane is kinetically limited by the moisture sensitive chemistry, enabling a CO 2 current of 1.1 μmol/m 2 • s. In diffusion limited materials, a CO 2 pumping flux can reach 11 μmol/m 2 • s in and peak performance is expected with a dry air relative humidity around 50% pumping into a saturated water vapor permeate. In all configurations, water loss becomes the major cost in such a separation and must be managed through optimal polymer design or water recovery mechanisms. The work demonstrates the applicability of a new driving force, the evaporation of water, to meet the energetic demand of CO 2 separation from air.

36 MATERIALS SCIENCE↗
NASA NTRS1997

Flexible Pipes-Permeation of Methane, Carbon Dioxide and Water Through Tefzel ETFE: Experiments 1996

The permeation of a mixture of CH4 and CO2 (97% CH4 and 3% CO2) saturated with water vapour through Tefzel has been studied at 950 C and 25 and 50 bars. Tefzel is the Du Pont trademark of an ETFE (ethylenetetrafluorethylene) which is a copolymer of ethylene and tetrafluorethylene. This material might be used as inner plastic lining of flexible pipes. For methane and carbon dioxide, the permeability of Tefzel is higher than the deplasticized PVDF (Polyvinylidenefluoride), but lower than the plasticized PVDF. For water, the situation seems to be the other way round; Tefzel has a lower permeability than deplasticized PVDF. Whether the permeability tests on Tefzel at higher temperatures and pressures will be pursued or not, will be considered by the steering committee of the CAPP project in May.

Wang, Per Arne↗
DOE OSTI2019

MBMS1.0: An Open-Source Code for Modeling and Simulation of Membrane-Based Dehumidification and Energy Recovery

Air dehumidification processes are important and significantly impact both the performance of building ventilation and air conditioning systems, and the health of occupants. In a membrane-based dehumidifier, a permselective membrane is adopted to separate the two flow streams at feed and permeate sides. The feed side is continuously supplied with humid air at atmospheric pressure, while the permeate side is connected to a vacuum pump to produce vacuum or a low permeate vapor pressure as a driving force for water vapor permeation. The software MBMS 1.0 enables modeling and simulation of the design and configuration optimization of a membrane-based air-to-air (A2A) or air-to-vapor (A2V) device. A first-order physical-constant model was developed to reasonably account for the fundamental heat and mass transfer processes involved.

Gao, Zhiming↗
DOE OSTI2022

Effect of different manufacturing methods on polyamide reverse-osmosis membranes for desalination: Insights from molecular dynamics simulations

Membranes are a key technology platform for a broad application of energy-efficient separations. To best serve the separation demands of industry, the manufacturing processes for these membranes are garnering increasing attention. In particular, for water desalination, the industry leading polyamide (PA) reverse osmosis (RO) membranes can be manufactured via molecular layer-by-layer (mLBL) deposition, interfacial polymerization (IP), and 3D-printing technique. However, the influence of different manufacturing methods on PA membrane’s properties is far from understood. Here, in this study, we present the high-pressure transport behavior of water and salt ions for PA membranes formed with IP, mLBL, and 3D-printing through non-equilibrium molecular dynamics simulations. Studies show that membranes fabricated with 3D-printing have similar performances to those manufactured using mLBL, quantified by water permeability, rejection of salt ions, structural integrity, and porosity features. However, the membranes formed with IP exhibit faster water transport, lower rejection, worse structural integrity, and more inhomogeneous network pores than those constructed using mLBL and 3D-printing. The unconnected water-accessible space governs water transport for PA membranes formed with mLBL and 3D-printing, which offers the impermanent open-closed pores that enable water to jump through PA membranes. In contrast, the permeated water-enterable space plays a prominent role in water movement across the PA membrane formed with IP, providing a continuous transport channel at high pressure. Importantly, we observe the more significant compaction features at high pressure for PA membranes formed with IP than mLBL and 3D printing. In short, these findings provide a comprehensive understanding of existing membrane preparation technologies. It also provides a guide for developing the new membrane preparation process at the molecular level.

3D-printing↗
DOE OSTI2024

Water transport through monolayer fullerene membrane

Water transport through nanoporous materials is important in water treatment, desalination, and nanofiltration. Two-dimensional (2D) membranes such as porous graphene have been explored for high-permeance water transport. However, water transport through a new class of 2D membranes based on two-dimensional covalently linked fullerene monolayers has not been fully explored. Here we use classical molecular dynamics simulations to investigate both vapor and liquid water transport through a monolayer fullerene membrane. We find that a quasi-tetragonal phase fullerene membrane possesses the right pore size and geometry that allows fast water vapor transport (∼ 50 g m −2 day −1 Pa −1 ) and water liquid transport (∼ 2.0 g m −2 day −1 Pa −1 ). Furthermore, simulation of sea water transport through the fullerene membrane shows 100 % salt rejection. The much faster vapor transport rate is attributed to the funnel-shaped pore and the optimal size that allows free rotation of water molecules permeating through, while the slower liquid transport is due to the need to desolvate a water molecule to break its hydrogen-bond network across the hydrophobic pore. This work shows the great potential of using monolayer fullerene membranes as 2D membranes for fast and selective water transport.

Desalination↗
DOE OSTI2024

Effects of interlayer spacing and applied pressure on the lanthanide transport in MoS 2 -based two-dimensional channels

Rare-earth elements (REEs) are critical to modern industry but difficult to separate due to their subtle and monotonic changes in physicochemical properties. MoS 2 -based two-dimensional (2D) materials offer novel opportunities for enhancing REE separation, exhibiting a distinct volcano-shaped transport performance distribution that peaks at Sm 3+ . However, the specific contributions of thermodynamic and kinetic factors to ion transport within 2D confinement remain unclear. In this study, we conducted a series of non-equilibrium all-atom molecular dynamics (MD) simulations to explore the effects of interlayer spacing and external pressure on the transport of lanthanide ions in Å-scale acetate functionalized 2D MoS 2 (MoS 2 -COOH) channels. We examined ion entry and permeation rates, water flux, dehydration, and binding modes. The simulation results reveal that the transport trends of lanthanide ions are jointly driven by the dehydration degree and the relative-binding strengths of ions to water and to the acetate within the 2D channels. Notably, the dehydration pattern of lanthanide ions during permeation is closely linked to kinetic factors. Overall, this study provides a detailed atomistic understanding of the mechanisms underlying lanthanide ion transport under confinement. These findings point to the significant potential for tuning confinement and chemical functionalization within Å-scale channels for more efficient REE separation.

2D channels↗
NASA NTRS2016

Contaminant Permeation in the Ionomer-Membrane Water Processor (IWP) System

The Ionomer-membrane Water Processor (IWP) is a patented membrane-distillation based urine brine water recovery system. The unique properties of the IWP membrane pair limit contaminant permeation from the brine to the recovered water and purge gas. A paper study was conducted to predict volatile trace contaminant permeation in the IWP system. Testing of a large-scale IWP Engineering Development Unit (EDU) with urine brine pretreated with the International Space Station (ISS) pretreatment formulation was then conducted to collect air and water samples for quality analysis. Distillate water quality and purge air GC-MS results are presented and compared to predictions, along with implications for the IWP brine processing system.

Kelsey, Laura K.↗
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 OSTI2022

Using molecular simulation to understand the skin barrier

Skin's effectiveness as a barrier to permeation of water and other chemicals rests almost entirely in the outermost layer of the epidermis, the stratum corneum (SC), which consists of layers of corneocytes surrounded by highly organized lipid lamellae. As the only continuous path through the SC, transdermal permeation necessarily involves diffusion through these lipid layers. The role of the SC as a protective barrier is supported by its exceptional lipid composition consisting of ceramides (CERs), cholesterol (CHOL), and free fatty acids (FFAs) and the complete absence of phospholipids, which are present in most biological membranes. Molecular simulation, which provides molecular level detail of lipid configurations that can be connected with barrier function, has become a popular tool for studying SC lipid systems. We review this ever-increasing body of literature with the goals of (1) enabling the experimental skin community to understand, interpret and use the information generated from the simulations, (2) providing simulation experts with a solid background in the chemistry of SC lipids including the composition, structure and organization, and barrier function, and (3) presenting a state of the art picture of the field of SC lipid simulations, highlighting the difficulties and best practices for studying these systems, to encourage the generation of robust reproducible studies in the future. This review describes molecular simulation methodology and then critically examines results derived from simulations using atomistic and then coarse-grained models.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1997

Efficiency and temperature dependence of water removal by membrane dryers

The vapor pressure of water in equilibrium with sorption sites within a Nafion membrane is given by log P(WN) = -3580/T + 10.01, where P(WN) is expressed in Torr and T is the membrane temperature, in kelvin. The efficiency of dryers based on selective permeation of water through Nafion can thus be enhanced by cooling the membrane. Residual water in effluents exceeds equilibrium levels if insufficient time is allowed for water to diffuse to the membrane surface as gas passes through the dryer. For tubular configurations, this limitation can be avoided if L > or = Fc(10(3.8)/120 pi D), where L is the length of the tubular membrane, in centimeters, Fc is the gas flow rate, in mL/ min, and D is the diffusion coefficient for water in the carrier gas at the operating temperature of the dryer, in cm2/s. An efficient dryer that at room temperature dries gas to a dew point of -61 degrees C is described; the same dryer maintained at 0 degrees C yields a dew point of -80 degrees C and removes water as effectively as Mg(ClO4)2 or a dry ice/acetone slush. The use of Nafion membranes to construct devices capable of delivering gas streams with low but precisely controlled humidities is discussed.

Non-NASA Center↗
DOE OSTI2016

Fabrication of antibacterial blend film from poly (vinyl alcohol) and quaternized chitosan for packaging

Highlights: • HTCC/PVA blend films were prepared through a simple mixing method. • The blend films had greater elongation at break and good optical transmittance. • The blend films had low oxygen permeability and water vapor permeability. • The films had good activity against Escherichia coli and Staphylococcus aureus. - Abstract: Blend films from poly (vinyl alcohol) (PVA) containing N-(2-hydroxy) propyl-3-trimethyl ammonium chloride chitosan (HTCC) were prepared via a simple mixing and casting method. The films were characterized by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction measurements (XRD), scanning electron microscopy and ultraviolet-visible measurements (UV–vis). The effects of HTCC amount on mechanical properties, oxygen permeability, water vapor permeation, and antibacterial properties against Gram-negative (Escherichia coli) and Gram-positive (Staphylococcus aureus) of the films were investigated. FTIR and XRD analysis show that HTCC and PVA in the blend films interacted by hydrogen bonding. SEM and UV–vis analysis reveal the good compatibility between HTCC and PVA. Compared with pure PVA film, the blend films had greater elongation at break, lower water permeability, and higher antibacterial activity. The HTCC addition decreased the tensile strength and the light transmittance. The results suggest that HTCC/PVA blend films have a potential as packaging materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Experimental observation of nonlinear relation between pressure and water flux is consistent with the solution-diffusion model

In several recent studies, it has been proposed that the fundamental understanding of penetrant transport in dense polymer membranes occurring via the solution-diffusion model, which has been the generally accepted theoretical framework for describing penetrant transport in such materials for the past several decades, is flawed. An alternate mechanistic framework based on the idea of two-phase flow in a porous medium (i.e., pore-flow) has been broadly advanced instead, with proponents of this approach claiming that the pore-flow theoretical framework provides the necessary mechanistic insight to design novel polymeric membrane materials for emerging applications. In this study, we show experimental results for hydraulic permeation of water that are entirely consistent with the solution-diffusion theory, without modification, for three dense polymeric membranes: crosslinked poly(ethylene glycol diacrylate) (XLPEGDA), Nafion 117 ionomer in the sodium counterion form (Nafion 117-Na), and cellulose acetate (CA). By measuring water flux at transmembrane pressures up to 240 bar, we observe a nonlinear relationship between the transmembrane pressure (TMP) and water flux, J w , for XLPEGDA and Nafion 117-Na, while this relationship is linear for CA. We demonstrate that the behavior of these three materials is described via the solution-diffusion model. According to the solution-diffusion model, flux is, to a good approximation, proportional to the transmembrane concentration difference induced by the pressure difference across the membrane, rather than to TMP itself. Water sorption isotherms are reported for all three materials. They further justify the nonlinear relationship between TMP and J w observed in XLPEGDA and Nafion 117-Na, emphasizing that the nonlinearity in the flux/TMP relationship stems from nonlinearities in the sorption isotherm with pressure. Additionally, the relationship between water flux and TMP can be predicted, a priori, with no adjustable parameters when a predictive model for the diffusion coefficient of water is employed in conjunction with the experimental water sorption isotherms in the solution-diffusion model. Furthermore, our results demonstrate the validity of the solution-diffusion model to describe transport of penetrants in dense polymer membranes, while highlighting the sensitivity of the solution-diffusion model to the many physical and mathematical simplifications commonly applied to the theory in literature.

materials↗
NASA NTRS1983

Hyperfiltration wash water recovery subsystem - Design and test results

The Hyperfiltration Wash Water Recovery (HWWR) subsystem, designed to offer low-power high-volume wash water purification for extended mission spacecraft, is discussed in terms of preprototype design and configuration. Heated wash water collected from the shower, hand wash, and laundry flows into a temperature-controlled (374 K) waste storage tank. Two parallel 25 micron absolute filters at the tank outlet remove large particles from the feed stream. A positive displacement feed pump delivers wash water to the hyperfiltration module at a constant flow rate of 0.20 lpm with discharge pressure variations from 4181-7239 Kpa. The hyperfiltration membrane module is a single-pass design including 36 porous stainless steel tubes, and is designed to provide an approximate water recovery rate of 90 percent. Permeate and brine water flows are monitored by flow meters, and removal of urea and ammonia is achieved by adding 15 percent NaOCl solution to the permeate fluid stream. An alternate module design using two diameters of tubing (allowing a smaller pressure drop and a larger membrane area) gave a superior predicted performance over the first module with larger tubing throughout.

Reysa, R. P.↗
DOE OSTI2020

Porous Membranes for Moisture Probe Protection (SR18024)

In the presence of contaminants, moisture probes can give false moisture readings and have shorter lifetimes. Absolute humidity probes are composed of porous, hygroscopic metallic oxide thin films (Al 2 O 3 ) coupled to electrodes (e.g. Au and Al). While these materials provide absolute humidity readings at low water levels at a relatively low cost, they are sensitive to the presence of contaminants, especially ammonia, due to its high hygroscopicity and ability to bind to the probe. Without frequent recalibration, especially in the presence of contaminants, the humidity levels are inaccurately reported due to measurement drift that occurs when the pores close, changing the impedance of the probe. The goal of this project was to improve the stability and reliability of these moisture probes by incorporating a molecular sieve into the probe to allow only the water to reach the sensor. Molecular sieves contain pores that allow molecule specific permeation. Two dimensional inorganic nanosheets (e.g. BN, MoO 2 , MoS 2 ) have recently been shown to behave as molecular sieves for water. Compared to zeolites, nanoporous materials have higher flux rates through the pores, leading to faster water permeation. Graphene oxide sheets have also been successfully employed for unimpeded water permeation; however, at lower humidity levels, the structure is unstable and the pores shrink, preventing the sieving of molecules. Compared to graphene oxide, sheets based off of inorganic materials, such as molybdenum, have been found to be more stable at lower humidity levels and have faster permeation rates. By creating a barrier in before the Al 2 O 3 sensor chip to prevent the permeation of contaminants into the probe, the lifetime of the probe will be extended. While the molybdenum sheets are a promising material for this application, their performance against ammonia and tritiated compounds have not yet been evaluated. This technology can be applied to other applications, including gas and liquid purification for environmental remediation, single molecule sensors, field effect transistors, and catalysts.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

An Alternating, Current-Induced Electromagnetic Field for Membrane Fouling and Scaling Control during Desalination of Secondary Effluent from Municipal Wastewater

Membrane treatment of secondary effluent for reuse applications is a promising approach to expand water supplies and provide flexibility to water resources management. However, effective control of membrane fouling and scaling is crucial for cost-effective treatment and system resilience. This study compared the performance of antiscalants to an alternating, current-induced electromagnetic field (EMF) as an alternative pretreatment method to reverse osmosis. Compared to the no-EMF control experiments, the EMF device resulted in 13% higher water recovery and 366% lower flux decline at 60% of water recovery, along with 2–8 times lower precipitation of fouling and scaling, as evidenced by scanning electron microscope, energy dispersive X-ray spectroscopy, and chemical extraction analysis. The combination of the EMF with antiscalant was more effective for reducing membrane fouling and scaling, increasing water recoveries up to 89.3%, as compared to the EMF (67.5%) and antiscalant-only (73.6%) configurations. This is the first study to demonstrate synergistic effects of using an EMF in combination with antiscalants and could lead to lower pretreatment costs. Additional research is required to quantify the economics of this approach and to fully understand the fundamental mechanisms governing fouling and scaling control by an EMF.

42 ENGINEERING↗
DOE OSTI2020

High Pressure Infiltration/Expulsion of Aqueous NaCl in Planar Hydrophobic Nanopores

Pressure-driven permeation of water in a poorly wettable material results in a conversion of mechanical work into surface free energy representing a new form of energy storage, or absorption. When water is replaced by a concentrated electrolyte solution, the storage capacity of a nanoporous medium becomes comparable to high-end supercapacitors. The addition of salt can also reduce the hysteresis of the infiltration/expulsion cycle. Our molecular simulations provide a theoretical perspective into the mechanisms involved in the process, and underlying structures and interactions in compressed nanoconfined solutions. Specifically, we consider aqueous NaCl in planar confinements of widths of 1.0 nm and 1.64 nm and pressures of up to 3 kbar. Open ensemble Monte Carlo simulations utilizing fractional exchanges of molecules for efficient additions/removal of ions have been utilized in conjunction with pressure-dependent chemical potentials to model bulk phases under pressure. Confinements open to these pressurized bulk, aqueous electrolyte phases show reversibility at narrow pore sizes and irreversibility in wider ones, consistent with experiment, as well as strong hysteresis at both pore size. The addition of salt results in significant increases in the solid/liquid interfacial tension in narrower pores and associated infiltration and expulsion pressures. Furthermore, these changes are consistent with strong desalination effects at the lower pore size observed irrespective of external pressure and initial concentration.

25 ENERGY STORAGE↗