Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “WATER PERMEATION”

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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Separation of isoprene from biologically-derived gas streams

Renewable organic precursors, including olefinic compounds such as isoprene, have attracted interest from the polymer and pharmaceutical industries. Biologically-derived processes can generate these target compounds; however, their gaseous product streams are complex mixtures of condensable organic vapors (COVs), water vapor, carbon dioxide (CO 2 ), and/or nitrogen (N 2 ). Because COVs, CO 2 and water vapor are known to alter polymer membranes, mixed gas separations data at ambient and elevated temperatures are limited. Here, this study focused on two classes of polymer membranes, glassy [polyetherimide (Ultem®)] and a rubbery [polydimethylsiloxane (PDMS)] with results indicating that isoprene separation is possible in humidified gas environment (2–4 vol% water). Gas permeabilities of these membranes did not noticeably change in the presence of humidity; however, the selectivity of these membranes was significantly lower compared to their performance under dry conditions. The role of water vapor in gas transport was derived from the energy of activation of permeation (E p ) for PDMS and Ultem® from 30–80°C in humidified mixed gas streams. For both polymers, E p data shows a slight decrease in selectivity with the other gases (hydrogen, N 2 , CO 2 , and methane) at elevated temperatures in the presence of water vapor. Thus, these COVs separations are feasible with polymer membranes in the presence of humidified gas streams, even in the case of glassy and rubbery membranes in series.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Structures of water molecules in carbon nanotubes under electric fields

Carbon nanotubes (CNTs) are promising for water transport through membranes and for use as nano-pumps. The development of CNT-based nanofluidic devices, however, requires a better understanding of the properties of water molecules in CNTs because they can be very different from those in the bulk. Using all-atom molecular dynamics simulations, we investigate the effect of axial electric fields on the structure of water molecules in CNTs having diameters ranging from (7,7) to (10,10). The water dipole moments were aligned parallel to the electric field, which increases the density of water inside the CNTs and forms ordered ice-like structures. The electric field induces the transition from liquid to ice nanotubes in a wide range of CNT diameters. Moreover, we found an increase in the lifetime of hydrogen bonds for water structures in the CNTs. Fast librational motion breaks some hydrogen bonds, but the molecular pairs do not separate and the hydrogen bonds reform. Thus, hydrogen bonds maintain the water structure in the CNTs, and the water molecules move collectively, decreasing the axial diffusion coefficient and permeation rate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Preliminary study: Moisture-polymer interaction. Stuby objectives

The problems associated with mathematically modeling water-module interaction phenomena, including sorption and desorption, diffusion, and permeation are discussed. With reliable analytical models, an extensive materials data base, and solar radiation surface meteorological observations (SOLMET) weather data, predicting module lifetimes in realistic environments can become a practical reality. The status of the present techniques of simulating the various transport mechanisms was reported. The Dent model (a modified Brunauer-Emmet-Teller) approach represented polyvinyl butyral (PVB) sorption data. A 100-layer material model and Fick's diffusion model gave diffusivity values exhibiting adequate agreement with those measured for PVB. Diffusivity of PVB is concentration dependent, decreasing as the water content in PVB increases. The temperature dependence of diffusion in PVB is well modeled by the Arrhenius rate equation. Equilibrium conductivity and leakage current data are well represented by Hearle's model for bulk ionic conductivity. A nodal network analysis using the Systems Improved Numerical Differencing Analyzer (SINDA) Thermal Analyzer gave reasonable correlation with measurable data. It is concluded that realistic lifetime predictions seem to be feasible.

Wen, L. C.↗
NASA NTRS1982

Evaluation of dopants in hydrogen to reduce hydrogen permeation in candidate Stirling engine heater head tube alloys at 760 deg and 820 deg

Alloy tubes filled with hydrogen doped with various amounts of carbon monoxide, carbon dioxide, ethane, ethylene, methane, ammonia, or water were heated in a diesel fuel-fired Stirling engine simulator materials test rig for 100 hours at 21 MPa and 760 or 820 C to determine the effectiveness of the dopants in reducing hydrogen permeation through the hot tube walls. Ultra high purity (UHP) hydrogen was used for comparison. The tube alloys were N-155, A-286, Incoloy 800, Nitronic 40, 19-9DL, 316 stainless steel, Inconel 718, and HS-188. Carbon dioxide and carbon monoxide in the concentration range 0.2 to 5 vol % were most effective in reducing hydrogen permeation through the hot tube walls for all alloys. Ethane, ethylene, methane, ammonia, and water at the concentrations investigated were not effective in reducing the permeation below that achieved with UHP hydrogen. One series of tests were conducted with UHP hydrogen in carburized tubes. Carburization of the tubes prior to exposure reduced permeation to values similar to those for carbon monoxide; however, carbon dioxide was the most effective dopant.

Misencik, J. A.↗
NASA NTRS1987

Effect of water on hydrogen permeability

Doping of hydrogen with CO and CO2 was developed to reduce hydrogen permeation in Stirling engines by forming a low permeability oxide coating on the inner surface of the heater head tubes. Although doping worked well, under certain circumstances the protective oxide could be chemically reduced by the hydrogen in the engine. Some oxygen is required in the hydrogen to prevent reduction. Eventually, all the oxygen in the hydrogen gas - whatever its source - shows up as water. This is the result of hydrogen reducing the CO, CO2, or the protective inner surface oxides. This water can condense in the engine system under the right conditions. If the concentration of water vapor is reduced to a low enough level, the hydrogen can chemically reduce the oxide coating, resulting in an increase in permeability. This work was done to define the minimum water content required to avoid this reduction in the oxide coating. The results of this testing show that a minimum of approximately 750 ppm water is required to prevent an increase in permeability of CG-27, a high temperature metal alloy selected for Stirling engine heater tubes.

Hulligan, David↗
DOE OSTI2012

Structure and permeation mechanism of a mammalian urea transporter

As an adaptation to infrequent access to water, terrestrial mammals produce urine that is hyperosmotic to plasma. To prevent osmotic diuresis by the large quantity of urea generated by protein catabolism, the kidney epithelia contain facilitative urea transporters (UTs) that allow rapid equilibration between the urinary space and the hyperosmotic interstitium. Here we report the first X-ray crystal structure of a mammalian UT, UT-B, at a resolution of 2.36 {angstrom}. UT-B is a homotrimer and each protomer contains a urea conduction pore with a narrow selectivity filter. Structural analyses and molecular dynamics simulations showed that the selectivity filter has two urea binding sites separated by an approximately 5.0 kcal/mol energy barrier. Functional studies showed that the rate of urea conduction in UT-B is increased by hypoosmotic stress, and that the site of osmoregulation coincides with the location of the energy barrier.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Polarization Effects in Water-Mediated Selective Cation Transport across a Narrow Transmembrane Channel

We report despite the progress in modeling complex molecular systems of ever-increasing complexity, a quantitatively accurate computational treatment of ion permeation through narrow membrane channels remains challenging. An important factor to reach this goal is induced electronic polarization, which is likely to impact the permeation rate of small ions through narrow molecular pores. In this work, we extended the recently developed polarizable force field based on the classical Drude oscillators to assess the role of induced polarization effects on the energetics of sodium and potassium ion transport across the gramicidin A (gA) ion channel. The inclusion of induced polarization lowers barriers present in 1D potential of mean force (PMF) for cation permeation by ~50% compared to those obtained with the additive force field. Conductance properties calculated with 1D PMFs from Drude simulations are in better agreement with experimental results. Polarization of single-file water molecules and protein atoms forming the narrow pore has a direct impact on the free-energy barriers and cation-specific solid-state NMR chemical shifts. Sensitivity analysis indicates that small changes to water–channel interactions can alter the free energy barrier for ion permeation. These results, illustrating polarization effects present in the complex electrostatic environment of the gA channel, have broad implications for revising proposed mechanisms of ion permeation and selectivity in a variety of ion channels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Preparation and Characterization of a Hydrophobic Metal-Organic Framework Membrane Supported on Thin Porous Metal Sheet

A hydrophobic metal-organic framework (MOF) UiO-66-CH3 is prepared and its solvothermal stability is investigated in comparison to UiO-66. It is confirmed that the MOF stability is enhanced by introduction of the two methyl groups, while the water adsorption is reduced. Given its hydrophobicity and stability, UiO-66-CH3 is proposed as an attractive membrane material for gas separation under moisture conditions. The UiO-66-CH3 membrane is prepared on a 50µm-thin porous Ni support sheet for the first time by use of a secondary growth method. It is found that uniform seed coating on the support is necessary to form a continuous membrane. In addition to growth time and temperature, presence of a modulator in the growth solution is found to be useful for controlling hydrothermal membrane growth on the seeded support. A dense, inter-grown membrane layer is formed by 24-h growth over a temperature range from 120 oC to 160 oC. The membrane surface comprises 500 nm octahedral crystals, which are supposed to grow out of the original 100 nm spherical seeding crystals. The separation characteristics of resulting membranes are tested with pure CO2, air, CO2/air mixture, and humid CO2/air mixture. CO2 permeance as high as 1.9E-06 mol/m2/s/Pa at 31oC is obtained. Unlike the hydrophilic zeolite membranes, CO2 permeation through this membrane is not blocked by the presence of water vapor in the feed gas. The results suggest that this MOF framework is a promising membrane material worth to be further investigated for separation of CO2 and other small molecules from humid gas mixtures.

Liu, Jian↗
DOE OSTI2015

Development of a tritium recovery system from CANDU tritium removal facility

The main purpose of the Tritium Recovery System (TRS) is to reduce to a maximum possible extent the release of tritium from the facility following a tritium release in confinement boundaries and also to have provisions to recover both elemental and vapors tritium from the purging gases during maintenance and components replacement from various systems processing tritium. This work/paper proposes a configuration of Tritium Recovery System wherein elemental tritium and water vapors are recovered in a separated, parallel manner. The proposed TRS configuration is a combination of permeators, a platinum microreactor (MR) and a trickle bed reactor (TBR) and consists of two branches: one branch for elemental tritium recovery from tritiated deuterium gas and the second one for tritium recovery from streams containing a significant amount of water vapours but a low amount, below 5%, of tritiated gas. The two branches shall work in a complementary manner in such a way that the bleed stream from the permeators shall be further processed in the MR and TBR in view of achieving the required decontamination level. A preliminary evaluation of the proposed TRS in comparison with state of the art tritium recovery system from tritium processing facilities is also discussed. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Selective permeation up a chemical potential gradient to enable an unusual solvent purification modality

The need for energy-efficient recovery of organic solutes from aqueous streams is becoming more urgent as chemical manufacturing transitions toward nonconventional and bio-based feedstocks and processes. In addition to this, many aqueous waste streams contain recalcitrant organic contaminants, such as pharmaceuticals, industrial solvents, and personal care products, that must be removed prior to reuse. We observe that rigid carbon membrane materials can remove and concentrate organic contaminants via an unusual liquid-phase membrane permeation modality. Surprisingly, detailed thermodynamic calculations on the chemical potential of the organic contaminant reveal that the organic species has a higher chemical potential on the permeate side of the membrane than on the feed side of the membrane. This unusual observation challenges conventional membrane transport theory that posits that all permeating species move from high chemical potential states to lower chemical potential states. Based on experimental measurements, we hypothesize that the organic is concentrated in the membrane relative to water via favorable binding interactions between the organic and the carbon membrane. The concentrated organic is then swept through the membrane via the bulk flow of water in a modality known as “sorp-vection.” We highlight via simplified nonequilibrium thermodynamic models that this “uphill” chemical potential permeation of the organic does not result in second-law violations and can be deduced via measurements of the organic and water sorption and diffusion rates into the carbon membrane. Moreover, this work identifies the need to consider such nonidealities when incorporating unique, rigid materials for the separations of aqueous waste streams.

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

Tritium Pressure Enhancement on the TPBAR Cladding by Physical Processes at the Getter

Tritium for the U.S. nuclear weapon stockpile is produced in tritium producing burnable absorber rods (TPBARs) inserted into Tennessee Valley Authoritys (TVA) light-water nuclear reactors. The rods are stainless steel tubes with a permeation barrier coating and internal components that generate and contain the tritium. The TPBAR incorporates a Ni-plated Zircoloy getter tube to capture tritium and prevent it from reaching the rod cladding and permeating into the environment. Under the conventional view of getter behavior, the tritium pressure outside the getter tube is expected to be limited to the equilibrium vapor pressure of Zr hydride at the temperature of the rod as long as the total hydrogen concentration remains below the capacity of the hydride. Since the tritium pressure is higher within the rod core, this behavior relies on the thin getters ability to hold off a differential tritium pressure. The effective tritium pressure on the cladding can also be enhanced by isotope exchange. Hydrogen ingress through the cladding from the reactor coolant creates a hydrogen pressure on the outer surface of the getter that can exchange with tritium, allowing the tritium partial pressure to increase toward this hydrogen gettering pressure. The goal of this work was to use laboratory-scale experiments to examine these mechanisms and create a model of getter behavior that describes tritium transport within the TPBAR. A third mechanism wherein the concentration at the outer surface of the getter is increased by the temperature gradient within the getter tube wall (the Soret effect) is not experimentally tested but is captured in the model. While not conclusively demonstrated by the experiments due to low pressure, high temperature, and small gap volume conditions, the model shows that when combined, the three mechanisms can explain both the magnitude and time dependence of the tritium release observed for reactor fuel assemblies with TPBARs. The model also shows how various modifications of the TPBAR design can reduce this tritium release into the environment.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2021

Cooperative Research and Development Agreement between National Energy Technology Laboratory and Electric Power Research Institute (EPRI) [Abstract]

Carbon dioxide (CO 2 ) capture from flue gas generated by fossil fuel-fired power plants has been proposed as an efficient approach to limit CO 2 emissions to the atmosphere. Due to the high cyclic CO 2 sorption capacity, well-tuned adsorption chemistry and non-volatility, solid sorbents are widely studied for CO 2 capture processes such as pressure swing adsorption (PSA) and temperature swing adsorption (TSA). Realistic applications of traditional solid sorbent systems face many challenges since moisture and heat management are problematic and solid-solid heat exchange is inefficient. Recently, a novel solid sorbent system, the sorbent polymer composite (SPC), has been developed to overcome those challenges in an energy-saving CO 2 capture process using TSA membrane contactors. A SPC material is comprised of a powdered solid sorbent embedded into a hydrophobic and porous polymer matrix. It allows gases to permeate through and achieve full contact with the sorbents while rejecting water moisture in the CO 2 capture process. In this collaborative research, NETL will conduct performance testing of a novel SPC material and EPRI will conduct a cost analysis based on that performance data.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

Machine learning models of intermittent operation of RO wellhead water treatment for salinity reduction and nitrate removal

Machine learning models were developed for intermittent multi-mode operation of a wellhead reverse osmosis water purification and desalination system to predict salt passage, nitrate passage, and permeate flux. The models, based on long short-term memory (LSTM) recurrent neural network (RNN) architecture, included an attention mechanism to increase model performance in proximity of the regulatory limit for nitrate. Training and testing of the models for the Startup, Production, Shutdown and Flushing operational modes were based on operational data (consisting of 22 process variables per data sample) acquired every 2–5 s over a six-month period. The significant sets of model input attributes for the different operational modes were assessed via Spearman ranking correlation, Self-Organizing Map (SOM) analysis and feed forward feature selection (FFFS). Although the variability of nitrate passage, salt passage and permeate flux was significant over the four operational modes, prediction performance for the three outcomes were with R2 and Average Absolute Relative Error (AARE) of 0.78–0.95 and 2.96–6.16 %, respectively. Model updates post membrane elements replacement demonstrated similar levels of prediction accuracy. The study results suggest that there is merit in exploring the utility of multi-mode models for sensor fault detection, data imputation, and for potential use in model-predictive control.

Intermittent RO operation↗
NASA NTRS1996

Mechanism of unassisted ion transport across membrane bilayers

To establish how charged species move from water to the nonpolar membrane interior and to determine the energetic and structural effects accompanying this process, we performed molecular dynamics simulations of the transport of Na+ and Cl- across a lipid bilayer located between two water lamellae. The total length of molecular dynamics trajectories generated for each ion was 10 ns. Our simulations demonstrate that permeation of ions into the membrane is accompanied by the formation of deep, asymmetric thinning defects in the bilayer, whereby polar lipid head groups and water penetrate the nonpolar membrane interior. Once the ion crosses the midplane of the bilayer the deformation "switches sides"; the initial defect slowly relaxes, and a defect forms in the outgoing side of the bilayer. As a result, the ion remains well solvated during the process; the total number of oxygen atoms from water and lipid head groups in the first solvation shell remains constant. A similar membrane deformation is formed when the ion is instantaneously inserted into the interior of the bilayer. The formation of defects considerably lowers the free energy barrier to transfer of the ion across the bilayer and, consequently, increases the permeabilities of the membrane to ions, compared to the rigid, planar structure, by approximately 14 orders of magnitude. Our results have implications for drug delivery using liposomes and peptide insertion into membranes.

NASA Discipline Exobiology↗
DOE OSTI2022

Solvent-Induced Swelling Behaviors of Microphase-Separated Polystyrene- block -Poly(ethylene oxide) Thin Films Investigated Using In Situ Spectroscopic Ellipsometry and Single-Molecule Fluorescence Microscopy

Block copolymers have attracted considerable interest in the fields of nanoscience and nanotechnology, because these polymers afford well-defined nanostructures via self-assembly. An in-depth understanding of solvent effects on the physicochemical properties of these microdomains is crucial for their preparation and utilization. Herein, we employed in situ spectroscopic ellipsometry and single-molecule fluorescence techniques to gain detailed insights into microdomain properties in polystyrene-block-poly(ethylene oxide) (PS-b-PEO) films exposed to ethanol- and water-saturated N 2 . We observed a quick increase and a subsequent gradual decrease in the ellipsometric thickness of PS-b-PEO films upon exposure to ethanol-saturated N 2 . This observation was unexpected because ethanol-saturated N 2 induced negligible thickness change for PS and PEO homopolymer films. The similarity in maximum thickness gain observed under ethanol- and water-saturated N 2 implied the swelling of PEO microdomains. Ethanol vapor permeation through the PEO microdomains was supported by the red-shift of the ensemble and single-molecule fluorescence emission of Nile red in PS-b-PEO films. Single-molecule tracking data showed the initial enhancement and subsequent reduction of the diffusion of hydrophilic sulforhodamine B molecules in PS-b-PEO films upon exposure to ethanol-saturated N 2 , consistent with the spectroscopic ellipsometry results. Furthermore, the higher ethanol susceptibility of the PEO microdomains was attributable to their amorphous nature, as shown by FTIR data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Molecular dynamics simulation of water in and around carbon nanotubes: A coarse-grained description

In the present study, we intend to investigate behaviour of water in and around hydrophobic open ended carbon nanotubes (CNTs) using a coarse-grained, core-softened model potential for water. The model potential considered here for water has recently been shown to successfully reproduce dynamic, thermodynamic and structural anomalies of water. The epitome of the study is to understand the incarceration of this coarse-grained water in a single-file carbon nanotube. In order to examine the effect of fluid-water van der Waals interaction on the structure of fluid in and around the nanotube, we have simulated three different CNT-water systems with varying degree of solute-water dispersion interaction. The analyses of the radial one-particle density profiles reveal varying degree of permeation and wetting of the CNT interior depending on the degree of fluid-solute attractive van der Waals interaction. A peak in the radial density profile slightly off the nanotube axis signifies a zigzag chain of water molecule around the CNT axis. The average numbers of water molecules inside the CNT have been shown to increase with the increase in fluid-water attractive dispersion interaction.

77 NANOSCIENCE AND NANOTECHNOLOGY↗