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At least 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
NASA NTRS2017

Electric Potential and Electric Field Imaging with Dynamic Applications: 2017 Research Award Innovation

The technology and methods for remote quantitative imaging of electrostatic potentials and electrostatic fields in and around objects and in free space is presented. Electric field imaging (EFI) technology may be applied to characterize intrinsic or existing electric potentials and electric fields, or an externally generated electrostatic field may be used for illuminating volumes to be inspected with EFI. The baseline sensor technology (e-Sensor) and its construction, optional electric field generation (quasi-static generator), and current e- Sensor enhancements (ephemeral e-Sensor) are discussed. Critical design elements of current linear and real-time two-dimensional (2D) measurement systems are highlighted, and the development of a three dimensional (3D) EFI system is presented. Demonstrations for structural, electronic, human, and memory applications are shown. Recent work demonstrates that phonons may be used to create and annihilate electric dipoles within structures. Phonon induced dipoles are ephemeral and their polarization, strength, and location may be quantitatively characterized by EFI providing a new subsurface Phonon-EFI imaging technology. Initial results from real-time imaging of combustion and ion flow, and their measurement complications, will be discussed. These new EFI capabilities are demonstrated to characterize electric charge distribution creating a new field of study embracing areas of interest including electrostatic discharge (ESD) mitigation, crime scene forensics, design and materials selection for advanced sensors, combustion science, on-orbit space potential, container inspection, remote characterization of electronic circuits and level of activation, dielectric morphology of structures, tether integrity, organic molecular memory, atmospheric science, and medical diagnostic and treatment efficacy applications such as cardiac polarization wave propagation and electromyography imaging.

Generazio, Ed↗
NASA NTRS2017

Electric Potential and Electric Field Imaging with Dynamic Applications & Extensions

The technology and methods for remote quantitative imaging of electrostatic potentials and electrostatic fields in and around objects and in free space is presented. Electric field imaging (EFI) technology may be applied to characterize intrinsic or existing electric potentials and electric fields, or an externally generated electrostatic field made be used for volumes to be inspected with EFI. The baseline sensor technology (e-Sensor) and its construction, optional electric field generation (quasi-static generator), and current e- Sensor enhancements (ephemeral e-Sensor) are discussed. Critical design elements of current linear and real-time two-dimensional (2D) measurement systems are highlighted, and the development of a three dimensional (3D) EFI system is presented. Demonstrations for structural, electronic, human, and memory applications are shown. Recent work demonstrates that phonons may be used to create and annihilate electric dipoles within structures. Phonon induced dipoles are ephemeral and their polarization, strength, and location may be quantitatively characterized by EFI providing a new subsurface Phonon-EFI imaging technology. Results from real-time imaging of combustion and ion flow, and their measurement complications, will be discussed. Extensions to environment, Space and subterranean applications will be presented, and initial results for quantitative characterizing material properties are shown. A wearable EFI system has been developed by using fundamental EFI concepts. These new EFI capabilities are demonstrated to characterize electric charge distribution creating a new field of study embracing areas of interest including electrostatic discharge (ESD) mitigation, manufacturing quality control, crime scene forensics, design and materials selection for advanced sensors, combustion science, on-orbit space potential, container inspection, remote characterization of electronic circuits and level of activation, dielectric morphology of structures, tether integrity, organic molecular memory, atmospheric science, weather prediction, earth quake prediction, and medical diagnostic and treatment efficacy applications such as cardiac polarization wave propagation and electromyography imaging.

Generazio, Ed↗
NASA NTRS2019

MISSE-11 Ground Experiment Control

Back during the Apollo missions, when astronauts were being sent to the moon to explore and further scientific knowledge by conducting experiments and collecting samples for scientists back on Earth, they were faced with a surprising problem. It was discovered that the moon’s surface is covered with dust that has electrostatic properties, which would stick to suit and equipment. This hindered the functionality of the astronauts’ space suits, solar panels, optical instruments, among other exposed surfaces due to the jagged geometry of the dust which would damage said equipment. To resolve this issue, the Electrostatics and Surface Physics Laboratory (ESPL) came up with the solution of using an Electrodynamic Dust Shield (EDS)1 that uses electrostatic forces to move particles across a surface. Varieties of this dust shield have been developed for different applications. The purpose of the Materials International Space Station Experiments 11 (MISSE-11) is to experiment a payload that contains the dust mitigation technology to be flown to space for one year and an identical payload will be on earth, under vacuum, in the Electrostatics and Surface Physics Laboratory. The space payload was prepared prior to our arrival and shipped to fly on the International Space Station (ISS). The payload staying on the ground is going to act as a control for the experiment so that we may compare it to the payload that was flown in space. During our time at Kennedy Space Center, we were tasked with building and start testing the ground control unit of the MISSE-11 payload. To complete our task for the ground control unit, we constructed a new vacuum chamber setup and added automated aspects, procured the necessary flight electronics, designed and communicated for the machining of the payload frame, and performed functional and thermal testing on the electronics to the same original operational standards. Some modifications were made where possible, without affecting the performance of the samples, to be efficient with the production of the control unit while keeping important aspects identical. The experiment is now nearly complete, and testing will be starting within the next few weeks.

MISSE↗
NASA NTRS2019

Actuation Force Study of Next Generation Micro Shutter Array for More Reliable Actuation

Micro shutter array (MSA) is a programmable optical spatial filtering device fabricated by MEMS technology, which was originally developed for James Webb Space Telescope to enable multi-object spectroscopy. Next Generation Micro Shutter Array (NGMSA) is an effort to improve JWST MSA by eliminating macroscopic actuation magnet and using electrostatic force to achieve simple and reliable instrument that can support NASA’s multiple future missions. We have been fabricating NGMSA with design inherited from JWST, however the legacy design is not friendly for electrostatic actuation because applied force direction on the moving shutter blade is different. We use COMSOL AC/DC module’s electrostatics feature to understand electrostatic force applied on an individual shutter within a range of motion and study new candidate designs. Also, structural mechanics module is used to study torsion bar’s restoration force.

Kim, K.↗
NASA NTRS2024

Experimental Validation of Charged Lunar Dust Dynamics Simulants

The goal of this work is to experimentally verify the electrostatic interaction physics that have been incorporated into the discrete element method (DEM) modeling software package during the FY20 CIF project titled “Charged Particle Dynamics in the Lunar Environment.” Current state-of-the-art (SOA) granular gas dynamics models used to explain rocket plume impingement physics have not taken into account the natural or induced electrostatic environment of the lunar surface, nor the effect of charged regolith grains being present in the plume plasma. This work improved upon the SOA by adding long-range and contact inter-particle electrostatic interactions to a granular mechanics DEM modeling software package. Tribocharging mechanics between spherical particles has been experimentally examined along with the natural electrostatic plasma environments produced via emission from an electron gun and ultraviolet lamp.

Jay Phillips↗
DOE OSTI2022

Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of β-Lactamases

The widespread design of covalent drugs has focused on crafting reactive groups of proper electrophilicity and positioning towards targeted amino-acid nucleophiles. In this work, we found that environmental electric fields projected onto a reactive chemical bond, an overlooked design element, play essential roles in the covalent inhibition of TEM-1 beta-lactamase by avibactam. Using the vibrational Stark effect, the magnitudes of the electric fields that are exerted by TEM active sites onto avibactam’s reactive C=O were measured and demonstrate an electrostatic gating effect that promotes bond formation yet relatively suppresses the reverse dissociation. These results suggest new principles of covalent drug design and off-target site prediction. Unlike shape and electrostatic complementary which address binding constants, electrostatic catalysis drives reaction rates, essential for covalent inhibition, and deepens our understanding of chemical reactivity, selectivity, and stability in complex systems.

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

Kinetic theory of particle-in-cell simulation plasma and the ensemble averaging technique

Abstract We derive the kinetic theory of fluctuations in physically and numerically stable particle-in-cell (PIC) simulations of electrostatic plasmas. The starting point is the single-time correlation at the start of the simulation between the statistical fluctuations of the weighted densities of macroparticle centers in the plasma particle phase-space. The fluctuations are associated with different initial conditions, typically due to the random initial conditions (in velocity space) of the macroparticles/simulation plasma, assigned according to their initial distribution of probability. The single-time correlations at all time steps and in each spatial grid cell are then determined from the Laplace–Fourier transforms of the discretized Klimontovich-like equation for the macroparticles and Maxwell’s equations for the fields, as computed by modern PIC codes. We recover the expressions for the electrostatic field and the plasma particle density fluctuation autocorrelation spectra as well as the kinetic equations describing the average evolution of PIC-simulated plasma particles, first derived by Langdon (1970b Proc. 4th Conf. Numerical Simulation of Plasmas ) using a test macroparticle approach perturbing a discretized Vlasovian plasma and then averaging the obtained physical quantity over the initial macroparticle velocity distribution. We generalize and extend these results to the modern algorithms in PIC codes using arbitrary macroparticle weights. Analytical estimates of statistical fluctuation amplitudes are derived as a function of the plasma simulation parameters, using the central limit theorem in the limit of a large number of macroparticles per cell. The theory is then used to analyze the ensemble averaging technique of PIC simulations where statistical averages are performed over ensembles of PIC simulations, modeling the same plasma physics problem but using different statistical realizations of the initial distribution functions of the macroparticles. This method is illustrated by linear Landau damping uncovering (from noise, which is usually considered numerical) the physical fluctuations driven by a single small amplitude electrostatic wave perturbing a PIC simulation plasma in equilibrium.

fluctuations correlations↗
DOE OSTI2022

Computational Approach for Probing Redox Potential for Iron-Sulfur Clusters in Photosystem I

Photosystem I is a light-driven electron transfer device. Available X-ray crystal structure from Thermosynechococcus elongatus showed that electron transfer pathways consist of two nearly symmetric branches of cofactors converging at the first iron–sulfur cluster F X , which is followed by two terminal iron–sulfur clusters F A and F B . Experiments have shown that F X has lower oxidation potential than F A and F B , which facilitates the electron transfer reaction. Here, we use density functional theory and Multi-Conformer Continuum Electrostatics to explain the differences in the midpoint Em potentials of the F X , F A and F B clusters. Our calculations show that F X has the lowest oxidation potential compared to F A and F B due to strong pairwise electrostatic interactions with surrounding residues. These interactions are shown to be dominated by the bridging sulfurs and cysteine ligands, which may be attributed to the shorter average bond distances between the oxidized Fe ion and ligating sulfurs for F X compared to F A and F B . Moreover, the electrostatic repulsion between the 4Fe-4S clusters and the positive potential of the backbone atoms is lowest for F X compared to both F A and F B . These results agree with the experimental measurements from the redox titrations of low-temperature EPR signals and of room temperature recombination kinetics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Numerical Methods to Evaluate Hyperelastic Transducers: Hexagonal Distributed Embedded Energy Converters

Hexagonal distributed embedded energy converters, also known as hexDEECs, are centimeter-scale energy transducers that leverage variable capacitance to generate electricity when their hyperelastic structure is dynamically deformed. To better understand, characterize, and optimize hexDEEC designs, a series of numerical methods and techniques were developed to model the hyperelastic mechanics of hexDEECs, electrostatic properties, and electricity generation characteristics. The numerical methods developed for the hyperelastic structural analysis were corroborated by empirical results from another study, and the models and equations for capacitance, electrostatic forces, and electrical potential energy were derived from fundamental electrostatic equations. These methods and techniques were implemented within the STAR-CCM+ multiphysics software Version 2020.3 (15.06.008) environment. Results from this analysis revealed methodologies and techniques necessary to model the energy converters, which will enable future exploration and optimization of more specific designs and corresponding applications.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2020

Methods of Measuring Secondary Electron Emission and Analysis of Spacecraft Charging Simulation

The scope of the internship project was to help the Electrostatics and Surface Physics Laboratory (ESPL) at KSC gain an understanding as to what parameters related to secondary electron emission (SEE), and electrostatic discharge (ESD) could be measured within its own facilities. As well as assistance in developing a plan for the ESPL to acquire the capabilities to measure other necessary parameters, to reduce the reliance on measurement data from facilities outside of the agency. The intern also worked closely with agency customers of the Launch Services Program (LSP) in expanding the MAPTIS database to incorporate various electrostatic and physical properties of materials used in the Gateway Program. This involved cross-center collaboration with industry and NASA contracted academia members in order to fill in the gaps of data that is missing from the database. Overall, the internship provided assistance in coordinating the approval for more materials to be added to the MAPTIS database, and continuing to assist the team at the ESPL in their consulting work for the agency through the use of various spacecraft charging and ESD simulation programs (i.e., NASCAP, NUMIT2.1). As well as assisting in the CAD design and implementation of an electrodynamic dust shield (EDS) for use in upcoming spaceflight missions. This was all done with the aim of helping the ESPL demonstrate its capabilities for the agency, and to continue expanding and localizing measurement techniques at KSC to help streamline obtaining the information NASA needs to ensure safety in current and future missions.

dust↗
NASA NTRSDate not supplied

Thermal Control Coating Charging Tests for the Europa Clipper Mission

Thermal control coatings are an essential part of spacecraft systems. Typically, these coatings are directly exposed to the space environment, which means they must be designed and applied in a manner that can withstand exposure to radiation, ultra-violet light, thermal cycles, etc. In the case of the Europa Clipper mission, the thermal control coatings must also have relatively low resistivity in order to minimize electrostatic charging (and discharging) due to the abundant low-energy plasma populations in the Jovian environment. This paper will present the results of a test campaign led by NASA’s Jet Propulsion Laboratory (JPL) to find thermal control coating solutions that minimized the occurrence of electrostatic discharges – even at cryogenic temperature conditions. The customized laboratory test system at NASA’s Marshall Space Flight Center will be described, along with the test requirements and conditions. Finally, a summary of the coatings with the best electrostatic characteristics will be provided.

Thermal Control Coatings↗
NASA NTRSDate not supplied

NASA’s Handheld Ionizer Tool for Astronauts

NASA’s next human lunar mission will require handheld tools to eliminate dust accumulation as well as electrostatic charge for the upcoming manned missions to the moon in the Artemis Program. The Moon’s lack of substantial atmosphere means the lunar surface is directly exposed to the solar wind, solar UV radiation, and cosmic rays which can cause dielectric charging of the lunar regolith via the photoelectric effect. The result is a layer of highly charged dust that is levitated and transported about a meter off the surface called the “horizon glow” as seen by the Apollo astronauts. The complex lunar electrostatic environment coupled with the surface dust behavior poses a concern for the longevity of surface infrastructures. The Electrostatics and Surface Physics Laboratory at NASA’S Kennedy Space Center retrofitted a commercial ionizer and successfully demonstrated that air ionizers are effective at removing dust particles and the static charge in high vacuum. Additional work is planned to establish the optimal voltage and flow characteristic to develop a high-fidelity ground prototype for future flight certification.

Electrostatics↗
NASA NTRSDate not supplied

Monodisperse Single-Material Granular Tribocharging Modeling and Experimental Validation

Charge transfer between insulating grains has been a topic of interest for many years as this phenomenon is extremely important to many areas in industry. Of particular interest to NASA is the behavior of electrically insulative dust grains such as those found on the lunar surface. Whether poured from a scoop during sample collection activities, agitated inside a drum via mining robots, or fluidized by a gas plume, particle-particle interactions between similar granular materials will be widespread on the Moon. Designers hope to have a predictive model for how dust grains are charged, transported, and deposited on flight systems to better understand issues electrostatics may cause in future missions. While difference in work function is often seen as a driver for charge transfer between two materials, this is an incomplete representation for insulative particles. Other asymmetries in the system can also lead to charge being transferred: one such being the difference between static vs dynamic particles. Experiments performed under vacuum in the Electrostatics and Surface Physics Laboratory (ESPL) clearly show that particles having more contacts with other particles tend to charge positively and particles having fewer contacts tend to charge negatively, despite being made from the same material. During these experiments, monodisperse (population of single diameter) spherical particles were held in a reservoir which was then elevated at one end to slope into a Faraday cup used to measure bulk charge of the grains. Care was taken to limit the number of spheres bouncing out of the cup, to isolate the beads from the container itself so that only grain-to-grain interactions occurred, and to assure neutrality of the beads before the experiment began. A discrete element method (DEM) modeling package already incorporating many granular mechanics interactions was augmented to include the electrostatic behaviors seen in experiments. The model can reproduce the experimental results above by tracking the number of contacts between pairs of individual grains and applying a charge transfer condition related to this contact parameter. The experimental results as well as their incorporation into the improved modeling suite will be discussed. Future work includes adding additional asymmetries into the experiments/model such as polydisperse populations of spherical particles and irregularly shaped grains.

granular↗
NASA NTRSDate not supplied

Monodisperse Single-Material Granular Tribocharging Modeling and Experimental Validation

Charge transfer between insulating grains has been a topic of interest for many years as this phenomenon is extremely important to many areas in industry. Of particular interest to NASA is the behavior of electrically insulative dust grains such as those found on the lunar surface. Whether poured from a scoop during sample collection activities, agitated inside a drum via mining robots, or fluidized by a gas plume, particle-particle interactions between similar granular materials will be widespread on the Moon. Designers hope to have a predictive model for how dust grains are charged, transported, and deposited on flight systems to better understand issues electrostatics may cause in future missions. While difference in work function is often seen as a driver for charge transfer between two materials, this is an incomplete representation for insulative particles. Other asymmetries in the system can also lead to charge being transferred: one such being the difference between static vs dynamic particles. Experiments performed under vacuum in the Electrostatics and Surface Physics Laboratory (ESPL) clearly show that particles having more contacts with other particles tend to charge positively and particles having fewer contacts tend to charge negatively, despite being made from the same material. During these experiments, monodisperse (population of single diameter) spherical particles were held in a reservoir which was then elevated at one end to slope into a Faraday cup used to measure bulk charge of the grains. Care was taken to limit the number of spheres bouncing out of the cup, to isolate the beads from the container itself so that only grain-to-grain interactions occurred, and to assure neutrality of the beads before the experiment began. A discrete element method (DEM) modeling package already incorporating many granular mechanics interactions was augmented to include the electrostatic behaviors seen in experiments. The model can reproduce the experimental results above by tracking the number of contacts between pairs of individual grains and applying a charge transfer condition related to this contact parameter. The experimental results as well as their incorporation into the improved modeling suite will be discussed. Future work includes adding additional asymmetries into the experiments/model such as polydisperse populations of spherical particles and irregularly shaped grains.

electrostatics↗
DOE OSTI2021

Dimensionality effects on multicomponent ionic transport and surface complexation in porous media

Coulombic interactions between charged species in pore water and at surface/solution interfaces are of pivotal importance for multicomponent reactive transport in porous media. In this study, we investigate the impact of domain dimensionality on electrostatically coupled dispersion and surface-solution reactions during transport of acidic plumes and major ions in porous media. Column and quasi two-dimensional flow-through experiments were performed, with identical silica porous media and under the same advection-dominated conditions. Equal mass fluxes of different electrolyte solutions (i.e., HCl - pH ~ 2.8, NaBr - 100 mM, HCl - pH ~ 2.8 plus NaBr - 100 mM) were continuously injected in the 1-D and 2-D experiments and breakthrough curves of pH and major ions were measured at the outlet of the domains. The presence of pronounced ionic strength gradients in the transverse direction in the 2-D setup caused distinct retardation and transport behaviors of protons and major ions which were not observed in the one-dimensional column experiments. Furthermore, in the cases of salt electrolytes injection, considerably enhanced release of H + (>61%) from the quartz surface was observed in the multidimensional system compared to the one-dimensional setup. Reactive transport modeling was performed to reproduce the experimental outcomes and to analyse the coupling between transport processes, based on the Nernst-Planck formulation of diffusive/dispersive fluxes and on surface complexation reactions at the solid-solution interface. Electrostatic interactions between Na + , B – , and H + , and deprotonation of the quartz surface upon the formation of sodium outer-sphere complexes, are the primary controllers of the spatial and temporal features displayed by the pH and major ions measurements. The reactive transport simulations allowed us to interpret the experimental observations, to visualize the distribution and spatio-temporal evolution of dissolved and solid species, to identify a spatially heterogeneous zonation of Coulombic interactions with distinct behavior at the fringe and core of the injected plumes in the multidimensional setup, and to quantify the different components of the Nerst-Planck fluxes of the charged solutes. This study demonstrates that the domain dimensionality directly affects electrostatic interactions between charged aqueous species in the pore water and surface complexation reactions at the solid-solution interface. The non-trivial effects of dimensionality on multicomponent ionic transport result in a significantly different behavior in 1-D and 2-D systems.

58 GEOSCIENCES↗
DOE OSTI2020

Surface Reactivity Analysis of the Crude Oil–Brine–Limestone Interface for a Comprehensive Understanding of the Low-Salinity Waterflooding Mechanism

Low-salinity waterflooding (LSWF) has proven to improve oil recovery in carbonate formations through rock wettability alteration, although the underlying mechanism remains elusive. Multivalent ionic exchange and calcite dissolution have usually been investigated using geochemical analysis in secondary coreflooding. In this work, coreflooding, in tertiary mode, coupled with a surface reactivity analysis approach was employed to investigate the interplay of wettability alteration mechanisms such as mineral dissolution, electrostatic bond attraction, and the effect of pH at in situ conditions. Improved oil recovery (IOR) in tertiary mode observed by coreflooding in Indiana limestone rocks showed an ionic strength dependence, that is, reducing brine ionic strength resulted in an increase in oil recovery. Coreflooding results showed that the seawater and low-salinity brines deprived of Mg 2+ ions resulted in the lowest IOR in tertiary mode, indicating the significance of Mg 2+ on IOR in limestone rocks. Similar results were observed through the contact angle measurement showing the limestone rock wettability state dependence on ionic strength and the effect of Mg2+ ions. Surface reactivity analysis showed an increase in solution pH, Ca 2+ and Mg 2+ ions concentration in the effluent solution from the coreflooding in tertiary mode using low salinity brines (about 40 and 20% increase in the effluent composition for Ca 2+ and Mg 2+ , respectively). These changes in solution composition were used to calculate the in situ oil–brine and rock–brine zeta potential using a validated surface complexation model, showing the changes of zeta potential as brine is injected into limestone rocks. The results show that using seawater-like brine in tertiary mode resulted in no mineral dissolution or ionic exchange. However, improved oil recovery (IOR) using such seawater-like brine was due to wettability alteration caused by reduced electrostatic bond attraction associated with Mg 2+ ions [from 2.6 × 10 –13 (mol/m 2 ) 2 for formation water salinity to 1.5 × 10 –13 (mol/m 2 ) 2 for seawater salinity]. Using low-salinity brines in tertiary mode improved oil recovery by mineral dissolution, resulting in oil desorption and an increase in solution pH. Finally, the increase in solution pH also resulted in reduced electrostatic bond attraction which lead to rock wettability alteration using low-salinity brines.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2024

Remote-Contact Catalysis for Target-Diameter Semiconducting Carbon Nanotube Arrays

Electrostatic catalysis has been an exciting development in chemical synthesis (beyond enzymes catalysis1 ) in recent years, boosting reaction rates and selectively producing certain reaction products2 . Most of the studies to date have been focused on using external electric field (EEF) to rearrange the charge distribution in small molecule reactions such as Diels-Alder addition3 , carbene reaction4 , etc. However, in order for these EEFs to be effective, a field on the order of 1 V/nm (10 MV/cm) is required, and the direction of the EEF has to be aligned with the reaction axis5 . Such a large and oriented EEF will be challenging for large-scale implementation, or materials growth with multiple reaction axis or steps. Here, we demonstrate that the energy band at the tip of an individual single-walled carbon nanotube6 (SWCNT) can be spontaneously shifted in a high-permittivity growth environment, with its other end in contact with a low-work function electrode (e.g., hafnium carbide or titanium carbide7 ). By adjusting the Fermi level at a point where there is a substantial disparity in the density of states (DOS) between semiconducting (s-) and metallic (m-) SWCNTs8 , we achieve effective electrostatic catalysis for s-SWCNT growth assisted by a weak EEF perturbation (200V/cm). This approach enables the production of high-purity (99.92%) s-SWCNT horizontal arrays with narrow diameter distribution (0.95±0.04 nm), targeting the requirement of advanced SWCNT-based electronics for future computing9-11. These findings highlight the potential of electrostatic catalysis in precise materials growth, especially for s-SWCNTs, and pave the way for the development of advanced SWCNT-based electronics12.

Wang, Jiangtao↗
DOE OSTI2025

Functionalized Porous Polymer Networks as High-Performance PFAS Adsorbents

Toxic per- and polyfluoroalkyl substances (PFAS) are now found in nearly every water source on the planet. Exposure to these molecules can have negative health consequences, but the low concentration of PFAS relative to other solutes in water makes their removal challenging. Adsorbents offer a promising treatment route, but often exhibit low selectivities and removal capacities, as well as slow kinetics. The performance in these metrics can be improved by chemically optimizing PFAS binding sites and maximizing PFAS-adsorbent interactions. To explore how to achieve this, a porous polymer network solid (PPN-6, also known as PAF-1) was postsynthetically modified with various chemical moieties capable of leveraging unique combinations of electrostatic, hydrogen-bonding, hydrophobic, and fluorophilic interactions with PFAS molecules. Batch adsorption experiments and computational studies revealed that electrostatic and hydrogen-bonding interactions drive short-chain PFAS adsorption, while hydrophobic and fluorophilic interactions improve long-chain PFAS adsorption. In complex water matrices, a combination of electrostatic and fluorophilic interactions led to the greatest total PFAS removal. The best-performing material, functionalized with a fluorinated alkylammonium (PPN-6-FNDMB), selectively adsorbs PFAS with high capacity (up to 4.0 mmol/g) and rapid kinetics (equilibrium reached in <30 s). Furthermore, PPN-6-FNDMB outperforms several commercial adsorbents, achieving near-complete removal of 21 different PFAS from a groundwater sample collected at a US Air Force base. The PFAS could subsequently be desorbed from PPN-6-FNDMB, concentrating them by a factor of over 50 times. The recycled PPN-6-FNDMB could then be reused with minimal losses in long-chain PFAS adsorption capacity over four cycles.

Pezoulas, Ethan R↗