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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Electrodialysis through nafion membranes coated with polyelectrolyte multilayers yields >99% pure monovalent ions at high recoveries

Separation of monovalent and multivalent ions is important in processes ranging from water softening to recycling of Li. Previous studies show that cation-exchange membranes coated with multilayer polyelectrolyte films exhibit monovalent/divalent ion selectivities as high as 1000 in electrodialysis (ED) under ideal conditions with low ion recoveries. This work shows that even at 60-80% monovalent-ion recoveries, ED through Nafion membranes coated with protonated poly(allylamine)/poly(4-styrenesulfonate) multilayers can separate equimolar K + and Mg 2+ or Li + and Mg 2+ to give 99.5% pure monovalent ion. Moreover, the use of a low-volume receiving phase allows ED to concentrate the monovalent ion. Typical current efficiencies are around 70% for these separations. Selectivities appear to increase when the membrane-coating procedure uses a higher polyelectrolyte concentration in the deposition solution. Because the limiting current declines with ED time due to depletion of the monovalent ion in the source phase, use of a gradually decreasing applied current enhances current efficiency compared to ED at a constant high current. Further, the membranes also show Li + /Mg 2+ selectivities around 100 when Mg 2+ is in a 20-fold excess in the source phase at an ionic strength of 0.6 M, but selectivity decreases at even higher ionic strengths.

15 GEOTHERMAL ENERGY↗
DOE OSTI2026

Patch-Based Convolutional Neural Networks for Multiple Microstructural Features Detection in FIB-SEM Micrographs of Irradiated Nuclear Fuel

Focused ion beam scanning electron microscopy (FIB-SEM) tomography has increasingly been utilized for acquiring three-dimensional (3D) microstructure features at the sub-micron scale in irradiated nuclear materials. This technique involves sequential ion beam slicing followed by electron beam imaging and compositional mapping using energy dispersive spectroscopy (EDS). Despite its growing use, several challenges persist. These include the time-intensive nature of data collection of EDS data, difficulties in distinguishing between various microstructures, and issues with image alignment. These challenges currently limit the broader application of FIB-SEM tomography in the field. To overcome these limitations, we propose using convolutional neural networks (CNNs) to automate microstructure identification in SEM images. Our study introduces a new framework for identifying microstructures in irradiated U-10Zr (wt. %) metallic fuel with limited annotated data. The framework includes the creation of a reliable annotated dataset with paired SEM and ground truth data from EDS maps, the applications of CNNs for microstructure identification, and the validation of model performance. Specifically, we employed the Segment Anything Model (SAM) to align SEM images with corresponding EDS maps and focused ion beam (FIB) tomography SEM data. We evaluate several models, including Patch-based U-Net, Attention U-Net, and Residual U-Net, finding that patch-based U-Net exhibits superior segmentation performance and consistency. This approach reduces reliance on EDS detectors and aids in accelerating nuclear material analysis process, highlighting the potential of advanced deep learning techniques to improve microstructural understanding in nuclear material. This is the first framework to integrate SAM and Patch-based CNN models for semantic segmentation of irradiated nuclear materials, with potential applicability to other tomography datasets.

36 - MATERIALS SCIENCE↗
DOE OSTI2021

Seeding the explosion of a high-current-density conductor in a controlled manner through the addition of micron-scale surface defects

Inhomogeneities in a current-carrying conductor promote non-uniform heating and expansion through the complex feedback between current density, electrical resistivity, Ohmic heating, temperature, and hydrodynamics. Three-dimensional-magnetohydrodynamic (3D-MHD) simulations suggest that μm-scale resistive inclusions or voids seed local overheating and through hydrodynamic explosion generate continuously growing craters which become several times larger than the initial perturbation. The ejected mass is the genesis of an electrothermally driven plasma filament which develops at lower current than plasmas on uniform surfaces adjacent to the defect. This result suggests that 1D or even 2D treatments are largely inadequate for detailed prediction of plasma formation. To test computational predictions, z-pinch experiments driven to 1 MA studied ultra-high-purity aluminum rods which were then machined to include pairs of quasi-hemispherical voids or “engineered defects (ED)” on the current-carrying surface. ED are the dominant current-density perturbation and reproducibly drive local overheating which can be compared with 3D-MHD simulation. Data from high-resolution-gated imagers of visible surface emissions confirm many simulation predictions, including the surface topography of local overheating, and the propensity for neighboring ED to prematurely source plasmas which then connect to form a plasma filament. Results also provide conditional support of theory which suggests heating similarity; that is, heating is independent of ED size for geometrically scaled ED.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Molecular recognition of a host protein by NS1 of pandemic and seasonal influenza A viruses

The 1918 influenza A virus (IAV) caused the most severe flu pandemic in recorded human history. Nonstructural protein 1 (NS1) is an important virulence factor of the 1918 IAV. NS1 antagonizes host defense mechanisms through interactions with multiple host factors. One pathway by which NS1 increases virulence is through the activation of phosphoinositide 3-kinase (PI3K) by binding to its p85β subunit. Here we present the mechanism underlying the molecular recognition of the p85β subunit by 1918 NS1. Using X-ray crystallography, we determine the structure of 1918 NS1 complexed with p85β of human PI3K. We find that the 1918 NS1 effector domain (1918 NS1 ED ) undergoes a conformational change to bind p85β. Using NMR relaxation dispersion and molecular dynamics simulation, we identify that free 1918 NS1 ED exists in a dynamic equilibrium between p85β-binding–competent and –incompetent conformations in the submillisecond timescale. Moreover, we discover that NS1 ED proteins of 1918 (H1N1) and Udorn (H3N2) strains exhibit drastically different conformational dynamics and binding kinetics to p85β. These results provide evidence of strain-dependent conformational dynamics of NS1. Using kinetic modeling based on the experimental data, we demonstrate that 1918 NS1 ED can result in the faster hijacking of p85β compared to Ud NS1 ED , although the former has a lower affinity to p85β than the latter. Our results suggest that the difference in binding kinetics may impact the competition with cellular antiviral responses for the activation of PI3K. We anticipate that our findings will increase the understanding of the strain-dependent behaviors of influenza NS1 proteins.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Evaluation of Electrodialysis Desalination Performance of Novel Bioinspired and Conventional Ion Exchange Membranes with Sodium Chloride Feed Solutions

Electrodialysis (ED) desalination performance of different conventional and laboratory-scale ion exchange membranes (IEMs) has been evaluated by many researchers, but most of these studies used their own sets of experimental parameters such as feed solution compositions and concentrations, superficial velocities of the process streams (diluate, concentrate, and electrode rinse), applied electrical voltages, and types of IEMs. Thus, direct comparison of ED desalination performance of different IEMs is virtually impossible. While the use of different conventional IEMs in ED has been reported, the use of bioinspired ion exchange membrane has not been reported yet. The goal of this study was to evaluate the ED desalination performance differences between novel laboratory‑scale bioinspired IEM and conventional IEMs by determining (i) limiting current density, (ii) current density, (iii) current efficiency, (iv) salinity reduction in diluate stream, (v) normalized specific energy consumption, and (vi) water flux by osmosis as a function of (a) initial concentration of NaCl feed solution (diluate and concentrate streams), (b) superficial velocity of feed solution, and (c) applied stack voltage per cell-pair of membranes. A laboratory‑scale single stage batch-recycle electrodialysis experimental apparatus was assembled with five cell‑pairs of IEMs with an active cross-sectional area of 7.84 cm2. In this study, seven combinations of IEMs (commercial and laboratory-made) were compared: (i) Neosepta AMX/CMX, (ii) PCA PCSA/PCSK, (iii) Fujifilm Type 1 AEM/CEM, (iv) SUEZ AR204SZRA/CR67HMR, (v) Ralex AMH-PES/CMH-PES, (vi) Neosepta AMX/Bare Polycarbonate membrane (Polycarb), and (vii) Neosepta AMX/Sandia novel bioinspired cation exchange membrane (SandiaCEM). ED desalination performance with the Sandia novel bioinspired cation exchange membrane (SandiaCEM) was found to be competitive with commercial Neosepta CMX cation exchange membrane.

42 ENGINEERING↗
NASA NTRS1989

Energy deposition of corpuscular radiation in the middle atmosphere

Main components of corpuscular radiation contributing to energy deposition (ED in eV/cu cm/s) in the atmosphere (10 to 100 km) are cosmic ray nuclei (CR - galactic and solar) and high energy electrons (HEE), mainly of magnetospheric origin. Galactic CR depending on solar cycle phase and latitude are dominant source of ED by corpuscular radiation below 50 to 60 km. Below 20 km secondaries must be assumed. More accurate treatment need assuming of individual HE solar flare particles, cut off rigidities in geomagnetic field and their changes during magnetospheric disturbances. Electrons E sub e greater than 30 keV of magnetospheric origin penetrating to atmosphere contribute to production rate below 100 km especially on night side. High temporal variability, local time dependence and complicated energy spectra lead to complicated structure of electron ED rate. Electrons of MeV energy found at geostationary orbit, pronouncing relation to solar and geomagnetic activity, cause maximum ED at 40 to 60 km. Monitoring the global distribution of ED by corpuscular radiation in middle atmosphere need continuing low altitude satellite measurements of both HEE and x ray BS from atmosphere as well as measurements of energy spectra and charge composition of HE solar flare particles.

Kudela, K.↗
NASA NTRS2005

Fractionation and Accretion of Meteorite Parent Bodies

Senior Scientist Stuart J. Weidenschilling presents his final administrative report for the research program on which he was the Principal Investigator. The research program resulted in the following publications: 1) Particle-gas dynamics and primary accretion. J. N. Cuzzi and S. J . Weidenschilling. To appear in Meteorites and the Early Solar System 11 (D. Lauretta et a]., Eds.), Univ. Arizona Press. 2005; 2) Timescales of the solar protoplanetary disk. S. Russell, L. Hartmann, J . N. Cuzzi, A. Krot, M. Gounelle and S. J. Weidenschilling. To appear in Meteorites and the Early Solar System II (D. Lauretta et al., Eds.), Univ. Arizona Press, 2005; 3) Nebula evolution of thermally processed solids: Reconciling astrophysical models and chondritic meteorites. J. N. Cuzzi, F. J. Ciesla, M. I. Petaev, A. N. Krot, E. R. D. Scott and S . J. Weidenschilling. To appear in Chondrites and the Protoplanetary Disk (A. Krot et a]., Eds.), ASP Conference Series, 2005; 4) Possible chondrule formation in planetesimal bow shocks: Physical processes in the near vicinity of the planetesimal. L. L. Hood, F. J. Ciesla and S. J. Weidenschilling. To appear in Chondrites and the Protoplanetary Disk (A. Krot et al., Eds.), ASP Conference Series, 2005; 5) From icy grains to comets. In Comets II (M. Festou et al., Eds.), Univ. Arizona Press, pp. 97- 104, 2005; 6) Evaluating planetesimal bow shocks as sites for chondrule formation. F. J . Ciesla, L. L. Hood and S. J. Weidenschilling. Meteoritics & Planetary Science 39, 1809-1 821, 2004; and 7) Radial drift of particles in the solar nebula: Implications for planetesimal formation. Icarus 165, 438-442, 2003.

Weidenschilling, Stuart J.↗
NASA NTRS2009

Synergistic Development, Test, and Qualification Approaches for the Ares I and V Launch Vehicles

The U.S. National Aeronautics and Space Administration is designing and developing the Ares I and Ares V launch vehicles for access to the International Space Station (ISS) and human exploration of the Moon. The Ares I consists of a first stage reusable five-segment solid rocket booster, a upper stage using a J-2X engine derived from heritage experience (Saturn and Space Shuttle External Tank programs), and the Orion crew exploration vehicle (CEV). The Ares V is designed to minimize the development and overall life-cycle costs by leveraging off of the Ares I design. The Ares V consists of two boosters, a core stage, an earth departure stage (EDS), and a shroud. The core stage and EDS use LH2/LO2 propellants, metallic propellant tanks, and composite dry structures. The core stage has six RS-68B upgraded Delta IV engines while the EDS uses a J-2X engine for second stage ascent and trans-lunar injection (TLI) burn. System and propulsion tests and qualification approaches for Ares V elements are being considered as follow-on extensions of the Ares I development program. Following Ares I IOC, testing will be conducted to verify the J-2X engine's orbital restart and TLI burn capability. The Ares I upper stage operation will be demonstrated through integrated stage development and acceptance testing. The EDS will undergo similar development and acceptance testing with additional testing to verify aspects of cryogenic propellant management, operation of sub-systems in a space simulation environment, and orbital re-start of the main propulsion system. RS-68B certification testing will be conducted along with integrated core stage development and acceptance testing. Structural testing of the Ares V EDS and core stage propellant tanks will be conducted similar to the Ares I upper stage. The structural qualification testing may be accomplished with separate propellant tank test articles. Structural development and qualification testing of the dry structure will be pursued as part of the design and development process. Especially critical is the development test program for the composite structures. The Ares V payload shroud will undergo acoustic, vibration, structural qualification, and deployment testing in a space simulation environment. Similar to Ares I, requirements for full-scale structural dynamic testing are being studied. Both Ares I and Ares V include validation flight testing as part of the qualification programs.

Cockrell, Charles E.↗
NASA NTRS2010

Dust Removal Technology Demonstration for a Lunar Habitat

We have developed an Electrodynamic Dust Shield (EDS), an active dust mitigation technology with applications to solar panels, thermal radiators, optical systems, visors, seals and connectors. This active technology is capable of removing dust and granular material with diameters as large as several hundred microns. In this paper, we report on the development of three types of EDS systems for NASA's Habitat Demonstration Unit (HDU). A transparent EDS 20 cm in diameter with indium tin oxide electrodes on a 0.1 mm-thick polyethylene terephtalate (PET) film was constructed for viewport dust protection. Two opaque EDS systems with copper electrodes on 0.1 mm-thick Kapton were also built to demonstrate dust removal on the doors of the HDU. A lotus coating that minimizes dust adhesion was added to one of the last two EDS systems to demonstrate the effectiveness of the combined systems.

Calle, C. I.↗
NASA NTRS2012

The PROPEL Electrodynamic Tether Mission and Connecting to the Ionosphere

The exponential increase of launch system size.and cost.with delta-V makes missions that require large total impulse cost prohibitive. Led by NASA's Marshall Space Flight Center, a team from government, industry, and academia has developed a flight demonstration mission concept of an integrated electrodynamic (ED) tethered satellite system called PROPEL: "Propulsion using Electrodynamics". The PROPEL Mission is focused on demonstrating a versatile configuration of an ED tether to overcome the limitations of the rocket equation, enable new classes of missions currently unaffordable or infeasible, and significantly advance the Technology Readiness Level (TRL) to an operational level. We are also focused on establishing a far deeper understanding of critical processes and technologies to be able to scale and improve tether systems in the future. Here, we provide an overview of the proposed PROPEL mission. One of the critical processes for efficient ED tether operation is the ability to inject current to and collect current from the ionosphere. Because the PROPEL mission is planned to have both boost and deboost capability using a single tether, the tether current must be capable of flowing in both directions and at levels well over 1 A. Given the greater mobility of electrons over that of ions, this generally requires that both ends of the ED tether system can both collect and emit electrons. For example, hollow cathode plasma contactors (HCPCs) generally are viewed as state-of-the-art and high TRL devices; however, for ED tether applications important questions remain of how efficiently they can operate as both electron collectors and emitters. Other technologies will be highlighted that are being investigated as possible alternatives to the HCPC such as Solex that generates a plasma cloud from a solid material (Teflon) and electron emission (only) technologies such as cold-cathode electron field emission or photo-electron beam generation (PEBG) techniques.

Gilchrist, Brian↗
NASA NTRS2012

Technology Area Roadmap for In-Space Propulsion Technologies

The exponential increase of launch system size.and cost.with delta-V makes missions that require large total impulse cost prohibitive. Led by NASA fs Marshall Space Flight Center, a team from government, industry, and academia has developed a flight demonstration mission concept of an integrated electrodynamic (ED) tethered satellite system called PROPEL: \Propulsion using Electrodynamics.. The PROPEL Mission is focused on demonstrating a versatile configuration of an ED tether to overcome the limitations of the rocket equation, enable new classes of missions currently unaffordable or infeasible, and significantly advance the Technology Readiness Level (TRL) to an operational level. We are also focused on establishing a far deeper understanding of critical processes and technologies to be able to scale and improve tether systems in the future. Here, we provide an overview of the proposed PROPEL mission. One of the critical processes for efficient ED tether operation is the ability to inject current to and collect current from the ionosphere. Because the PROPEL mission is planned to have both boost and deboost capability using a single tether, the tether current must be capable of flowing in both directions and at levels well over 1 A. Given the greater mobility of electrons over that of ions, this generally requires that both ends of the ED tether system can both collect and emit electrons. For example, hollow cathode plasma contactors (HCPCs) generally are viewed as state-of-the-art and high TRL devices; however, for ED tether applications important questions remain of how efficiently they can operate as both electron collectors and emitters. Other technologies will be highlighted that are being investigated as possible alternatives to the HCPC such as Solex that generates a plasma cloud from a solid material (Teflon) and electron emission (only) technologies such as cold-cathode electron field emission or photo-electron beam generation (PEBG) techniques

Johnson, Les↗
NASA NTRS2019

Electrodynamic Dust Shield Testing on the Materials on International Space Station Experiment 11

Dust is a major concern for lunar exploration. To combat the effects of dust, NASA, academia, and industry are developingsolutions to the dust problem. One potential technology solution for this problem is the Electrodynamic DustShield (EDS). Many years of research and development have gone into this technology. The Materials on InternationalSpace Station Experiment - 11 (MISSE-11) provides a long term space exposure platform for this technology to verifycompatibility of materials and manufacturing processes to the space environment. The MISSE-11 EDS experimentconsists of 12 EDS panels. These panels are made of glass, polyimide, or prototype spacesuit fabric. Some panels arecovered with a lotus leaf coating while others are covered with thermal paint. They are flown in the wake position ofthe ISS to simulate the lunar environment. Two panels are in an active configuration and are energized with a highvoltage power supply, which generates high-voltage pulses to activate the dust shields. Current and voltage data arerecovered from each of these trials to compare to baseline data. Also, each of the EDS panels are imaged on a monthlybasis to track any changes with time that may occur with the EDS variants. In this paper, we report preliminary dataand analysis from this spaceflight experiment.

Johansen, Michael R.↗
NASA NTRSDate not supplied

Electrodynamic Dust Shield Testing on the Materials on International Space Station Experiment 11

Dust is a major concern for lunar exploration. To combat the effects of dust, NASA, academia, and industry are developing solutions to the dust problem. One potential technology solution for this problem is the Electrodynamic Dust Shield (EDS). Many years of research and development have gone into this technology. The Materials on International Space Station Experiment – 11 (MISSE-11) provides a long term space exposure platform for this technology to verify compatibility of materials and manufacturing processes to the space environment. The MISSE-11 EDS experiment consists of 12 EDS panels. These panels are made of glass, polyimide, or prototype spacesuit fabric. Some panels are covered with a lotus leaf coating while others are covered with thermal paint. They are flown in the wake position of the ISS to simulate the lunar environment. Two panels are in an active configuration and are energized with a high voltage power supply, which generates high-voltage pulses to activate the dust shields. Current and voltage data are recovered from each of these trials to compare to baseline data. Also, each of the EDS panels are imaged on a monthly basis to track any changes with time that may occur with the EDS variants. In this paper, we report preliminary data and analysis from this spaceflight experiment.

Electrostatics↗
NASA NTRS2021

Electrodynamic Dust Shield Coating Pattern for Solar Cells

The objective of this project is to work with NASA Glenn Research Center (GRC) to develop an optimized transparent Electrodynamic Dust Shield (EDS) to remove dust accumulated on a photovoltaic (PV) cell. The PV cell efficiency deterioration depend on the mass and size of dust particles. As the particle mass and size increases, the power output and efficiency of the PV system decreases. The EDS benefits PV systems by clearing dusts blocking the sun light from entering the PV cell. As of writing of this report, the KSC team have completed the optimization of EDS pattern, completed the assembly of the EDS test samples, and successfully demonstrated EDS clearing performance at one atmosphere and vacuum.

Jerry Wang↗
DOE OSTI2020

Separation characteristics of cations and natural organic matter in electrodialysis

Natural organic matter (NOM) in water can cause the formation of disinfection byproducts (DBPs) when NOM reacts with a disinfectant such as chlorine. Nanofiltration (NF) and reverse osmosis (RO) are effective treatment methods to remove NOM. However, the simultaneous presence of both NOM and divalent cations such as Ca 2+ can enhance fouling in NF and RO. Therefore, an appropriate pretreatment to remove such cations before NF or RO would delay fouling and perhaps improve water recovery and NOM removal efficiency. Electrodialysis (ED) is potentially an excellent pretreatment method because it separates inorganic ions well using ion exchange membranes (IEMs) but does not separate NOM well because of its size and consequent low diffusivity. This research focused on ion and NOM separation with ED using three different types of commercially available IEM pairs, two different commercially available NOM sources, and six different influents at 500 mg/L total dissolved solids in the presence or absence of both hardness (Ca 2+ and Mg 2+ ) and NOM. The target waters of interest in this research were drinking water supplies that require little or no desalination but substantial removal of NOM; after NOM separation in NF or RO, some or all of the ED concentrate can be added to the NF/RO permeate to create the finished water prior to disinfection. The results indicate that ED can effectively separate alkaline earth metal ions without separation of NOM. Cation exchange membranes with high exchange capacity, high selectivity for divalent cations are desirable, and both anion and cation exchange membranes should have low affinity for organic adsorption. As a result, the process would work particularly well for NOM with relatively low hydrophobicity, since NOM adsorption to most surfaces increases with hydrophobicity.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Major to trace element imaging and analysis of iron age glasses using stage scanning in the analytical dual beam microscope (tandem)

Dark and clear silicate glasses formed during an iron age vitrification event ≈ 1500 years ago at the Broborg hillfort near Uppsala, Sweden have been analyzed using a scanning electron microscope equipped with a micro-X-ray fluorescence (μXRF) spectrometer. Correlated µXRF and electron beam-induced energy dispersive spectrometry (EDS) X-ray maps were collected via stage-scanning at constant velocity. This coupled procedure represents a new approach for the cultural heritage community to conduct analytical studies of archaeometric specimens composed of metal, ceramic, or mixed inorganic/organic materials, where major and trace element compositions are registered in space for areas up to the centimeter-length scale at micrometer-scale resolution. Overview images were used to select areas for EDS beam scan maps correlated with multispectral cathodoluminescence (CL) imaging and co-located quantitative EDS and μXRF point analysis. Fe, Ca, Mg, Ti, P, Mn, Zr, Zn, and Y are enriched in the dark glass, while Si, Al, K, Na, Ba, Sr, Rb, and Ga are enriched in the clear glass. Unmelted material is comprised predominately of quartz (SiO 2 ) along with trace apatite (Ca 5 (PO 4 ) 3 [Cl,OH]) and zircon (ZrSiO 4 ). Multivariate statistical analysis was used to measure the area fractions of high variance components while lower variance components represented phase mixtures. Differences between calculated melt viscosities for the glass compositions are consistent with field and laboratory observations. Coupled large area EDS and μXRF imaging shows significant promise for informed selection of higher spatial resolution and higher sensitivity follow-up studies, e.g., those performed using synchrotron analysis.

36 MATERIALS SCIENCE↗
NASA NTRS2018

Simple Ion Channels: From Structure to Electrophysiology and Back

A reliable way to establish whether our understanding of a channel is satisfactory is to reproduce its measured ionic conductance over a broad range of applied voltages in computer simulations. In molecular dynamics (MD), this can be done by way of applying an external electric field to the system and counting the number of ions that traverse the channel per unit time. Since this approach is computationally very expensive, we have developed a markedly more efficient alternative in which MD is combined with the electrodiffusion (ED) equation. In this approach, the assumptions of the ED equation can be rigorously tested, and the precision and consistency of the calculated conductance can be determined. We have demonstrated that the full current/voltage dependence and the underlying free energy profile for a simple channel can be reliably calculated from equilibrium or non-equilibrium MD simulations at a single voltage. To carry out MD simulations, a structural model of a channel has to be assumed, which is an important constraint, considering that high-resolution structures are available for only very few simple channels. If the comparison of calculated ionic conductance with electrophysiological data is satisfactory, it greatly increases our confidence that the structure and the function are described sufficiently accurately. We examined the validity of the ED for several channels embedded in phospholipid membranes - four naturally occurring channels: trichotoxin, alamethicin, p7 from hepatitis C virus (HCV) and Vpu from the HIV-1 virus, and a synthetic, hexameric channel, formed by a 21-residue peptide that contains only leucine and serine. All these channels mediate transport of potassium and chloride ions. It was found that the ED equation is satisfactory for these systems. In some of them experimental and calculated electrophysiological properties are in good agreement, whereas in others there are strong indications that the structural models are incorrect.

molecular dynamics (MD↗
DOE OSTI2020

Optimal conditions for efficient flow-electrode capacitive deionization

One of the current barriers to achieving fast and stable performance for flow-electrode capacitive deionization (FCDI) is determining optimal operating parameters. To date, however, no consensus has been reached for universal conditions for FCDI. Through experimental and modeling approaches in this study, we systematically evaluated the influence of applied potential (V = 1.2–2.4 V) and electrolyte concentration (C0 = 0.05–0.5 M) on the FCDI and electrodialysis (ED) desalination processes. Evaluation indicators include the concentration decrease in the desalinated solution, salt removal rates, pH fluctuations, charge efficiency, and energy consumption. Results demonstrated that the dynamic curves of concentration decrease at 2.0 V nearly overlapped with the response at 1.6 V at certain electrolyte concentrations, while the salt removal rates at 0.2 M salt concentration were the best among all concentrations tested at a range of applied potential. Therefore, it was thus concluded that the optimum conditions for FCDI operation are 1.6 V applied potential and 0.2 M initial salt concentration, under which faradaic reactions are not being triggered, and concentration polarization does not significantly affect ion transfer. Furthermore, a comparative study between FCDI and ED indicated that ED has a different dependence on the electrolyte concentration and applied potential, in which the desalination can be linearly enhanced with increasing potential but greatly limited at high concentrations. Due to the presence of carbon particles in FCDI, the enhanced charge/ion transfer is probably the main reason for the different desalination performance of FCDI and ED. Overall, the optimal operating parameters obtained in this work could be used as basic test conditions for further development of new carbon-based materials for FCDI.

42 ENGINEERING↗