Polyfluoroalkyl Substances In Water Research Articles

Preferential Partitioning of Per- and Polyfluoroalkyl Substances (PFAS) and Dissolved Organic Matter in Freshwater Surface Microlayer and Natural Foam.

Per- and polyfluoroalkyl substances (PFAS) are surfactants that can accumulate in the surface microlayer (SML) and in natural foams, with potential elevated exposure for organisms at the water surface. However, the impact of water chemistry on PFAS accumulation in these matrices in freshwater systems is unknown. We quantified 36 PFAS in water, the SML, and natural foams from 43 rivers and lakes in Wisconsin, USA, alongside measurements of pH, cations, and dissolved organic carbon (DOC). PFAS partition to foams with concentration ranging 2300-328,200 ng/L in waters with 6-139 ng/L PFAS (sum of 36 analytes), corresponding to sodium-normalized enrichment factors ranging <50 to >7000. Similar enrichment is observed for DOC (∼70). PFAS partitioning to foams increases with increasing chain length and is positively correlated with [DOC]. Modest SML enrichment is observed for PFOS (1.4) and FOSA (2.4), while negligible enrichment is observed for other PFAS and DOC due to low specific surface area and turbulent conditions that inhibit surfactant accumulation. However, DOC composition in the SML is distinct from bulk water, as assessed using high-resolution mass spectrometry. This study demonstrates that natural foams in unimpacted and impacted waters can have elevated PFAS concentrations, whereas SML accumulation in surface waters is limited.

Adsorption dynamics of per- and polyfluoroalkyl substances (PFAS) on activated carbon: Interplay of surface chemistry and PFAS structural properties

Using activated carbon (AC) to adsorb per- and polyfluoroalkyl substances (PFAS) is highly practical for environmental remediation. However, examining the surface chemistry of carbonaceous material with regard to the removal of various PFAS has been limited, as the focus has often solely been on perfluorooctanoic acid and perfluorooctane sulfonic acid. Consequently, this study systematically explores the role of AC surface chemistry in the adsorption of PFAS with various structural properties using ACs that have been modified for different degrees of acidity, basicity, and hydrophobicity. Batch adsorption studies have demonstrated that the affinity of PFAS for the AC surface is negatively correlated with surface acidity. The removal performance at an adsorbent dose of 2 mg/L and an initial PFAS concentration of 600 ng/L is 27.4–91.4 %, 57.2–95.6 %, 92.4–99.2 %, and 89.1–99.6 % for an AC with an acidic surface, unmodified AC, defunctionalized AC, and AC with basic surface, respectively. Analyses of the adsorption isotherms, kinetics, and removal performance of the four types of ACs and 14 PFAS in water at different pH and ionic strengths reveal that hydrophobic, electron donor–acceptor, and electrostatic interactions, as well as negative charge-assisted hydrogen bond formation are necessary to describe the key adsorption characteristics observed in the experiments. The relative significance of the adsorption mechanisms depends on the PFAS structural properties, AC surface chemistry, and water composition. This extensive discourse contributes substantially to the design of an efficient carbonaceous adsorbent with specific surface moieties for removing PFAS from water.

Development of ionic-liquid-impregnated activated carbon for sorptive removal of PFAS in drinking water treatment

Adsorption of per- and poly-fluoroalkyl substances (PFAS) on activated carbon (AC) is considerably hindered by the surface water constituents, degrading the ability of the AC adsorption process to remove PFAS in drinking water treatment. Herein, we developed ionic-liquid-impregnated AC (IL/AC) as an alternative to AC for PFAS sorption and demonstrated its performance with real surface water for the first time. Ionic liquids (ILs) of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (IL(C2)) and 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (IL(C6)) were selected from among 272 different ILs using the conductor-like screening model for realistic solvents (COSMO-RS) simulation. Impregnation of the ILs in AC was verified using various analytical techniques. Although the synthesized IL/ACs were less effective than pristine AC in treating PFAS in deionized water, their performances were less impacted by the surface water constituents, resulting in comparable or sometimes better performances than pristine AC for treating PFAS in surface water. The removal efficiencies of 10 wt% IL(C6)/AC for six PFAS were 1.40–1.96 times higher than those of pristine AC in a surface water sample containing 2.6 mg/L dissolved organic carbon and millimolar-level divalent cation concentration. PFAS partitioning from the surface water to ILs was not hindered by dissolved organic matter and was enhanced by the divalent cations, indicating the advantages of IL/ACs for treating significant amounts of PFAS in water. The synthesized IL/ACs were effective at treating coexisting pharmaceutical and personal-care products in surface water, showcasing their versatility for treating a broad range of water micropollutants.

Per- and Polyfluoroalkyl Substances in Water (2008-2022) and Fish (2015-2022) in The Netherlands: Spatiotemporal Trends, Fingerprints, Mass Discharges, Sources, and Bioaccumulation Factors.

Per- and polyfluoroalkyl substances (PFAS) are persistent, bioaccumulative, and toxic synthetic chemicals of concern, which have been detected in nearly all environmental compartments. The present study provides a data analysis on PFAS concentrations in the Dutch inland and coastal national waters and fish sampled from 2008 to 2022 and 2015 to 2022, respectively. Although the fish database is relatively small, the water database is unique because of its temporal dimension. It appears that PFAS are omnipresent in Dutch water and fish, with relatively small spatial differences in absolute and relative concentrations (fingerprints) and few obvious temporal trends. Only perfluorooctanoic acid and perfluorooctanesulfonic acid (PFOS) aqueous concentrations in the rivers Rhine and Scheldt have substantially decreased since 2012. Still, PFOS concentrations exceed the European water quality standards at all and fish standards at many locations. Masses of PFAS entering the country and the North Sea are roughly 3.5 tonnes/year. Generally, the data suggest that most PFAS enter the Dutch aquatic environment predominantly through diffuse sources, yet several major point sources of specific PFAS were identified using fingerprints and monthly concentration profiles as identification tools. Finally, combining concentrations in fish and water, 265 bioaccumulation factors were derived, showing no statistically significant differences between freshwater and marine fish. Overall, the analysis provides new insights into PFAS bioaccumulation and spatiotemporal trends, mass discharges, and sources in The Netherlands. Environ Toxicol Chem 2024;43:965-975. © 2024 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.

Application of electron beam technology to decompose per- and polyfluoroalkyl substances in water

The widespread detection of per- and polyfluoroalkyl substances (PFAS) in environmental compartments across the globe has raised several health concerns. Destructive technologies that aim to transform these recalcitrant PFAS into less toxic, more manageable products, are gaining impetus to address this problem. In this study, a 9 MeV electron beam accelerator was utilized to treat a suite of PFAS (perfluoroalkyl carboxylates: PFCAs, perfluoroalkyl sulfonates, and 6:2 fluorotelomer sulfonate: FTS) at environmentally relevant levels in water under different operating and water quality conditions. Although perfluorooctanoic acid and perfluorooctane sulfonic acid showed >90% degradation at <500 kGy dose at optimized conditions, a fluoride mass balance revealed that complete defluorination occurred only at/or near 1000 kGy. Non-target and suspect screening revealed additional degradation pathways differing from previously reported mechanisms. Treatment of PFAS mixtures in deionized water and groundwater matrices showed that FTS was preferentially degraded (∼90%), followed by partial degradation of long-chain PFAS (∼15–60%) and a simultaneous increase of short-chain PFAS (up to 20%) with increasing doses. The increase was much higher (up to 3.5X) in groundwaters compared to deionized water due to the presence of PFAS precursors as confirmed by total oxidizable precursor (TOP) assay. TOP assay of e-beam treated samples did not show any increase in PFCAs, confirming that e-beam was effective in also degrading precursors. This study provides an improved understanding of the mechanism of PFAS degradation and revealed that short-chain PFAS are more resistant to defluorination and their levels and regulation in the environment will determine the operating conditions of e-beam and other PFAS treatment technologies.

Experimental and density functional theory investigation of surface-modified biopolymer for improved adsorption of mixtures of per- and polyfluoroalkyl substances in water

Glutaraldehyde (GTH) cross-linked chitosan (CTN) biopolymer-based and polyethyleneimine (PEI) functionalized (GTHCTNPEI) aerogels were proven promising for removing mixtures of long- and short chain per- and polyfluoroalkyl substances (PFAS) in water. In this study, to further improve the performance of the aerogel for short-chain PFAS and undecafluoro-2-methyl-3-oxahexanoic acid (GenX) removal, GTHCTNPEI aerogel chunks with an average size of 13.4 mm were turned into flakes with an average size of 9.1 mm. The GTHCTNPEI flakes achieved >99 % removal of all target PFAS, including long- and short-chain PFAS and >97 % for GenX after 10 h. In addition, the flakes can be regenerated and reused for at least four cycles. When added to tap water spiked with PFAS at initial concentrations of 30, 70, or 100 ng/L, the flakes removed almost 100 % of all tested PFAS. Mechanistic investigations using density functional theory (DFT) revealed strong stabilizing hydrophobic and electrostatic interactions between the aerogels and PFAS, with GTHCTNPEI to PFAS binding energies ranging between -24.0 – -30.1 kcal/mol for PFOA; -41.3 – -48.5 kcal/mol for PFOS; and -40.5 – -47.3 kcal/mol for PFBS. These results demonstrate the great potential of the flakes for removing PFAS from drinking water, surface water, and groundwater.

A Comprehensive Review of Novel Adsorbents for Per- and Polyfluoroalkyl Substances in Water

A Comprehensive Review of Novel Adsorbents for Per- and Polyfluoroalkyl Substances in Water

Cost effective and efficient technique for removing per‐ and polyfluoroalkyl substances in water

AbstractPer‐ and polyfluoroalkyl substances (PFAS) are synthetic chemicals, which can leak into the surrounding environment, such as water and soil, from water‐resistant manufactured products where they remain highly persistent due to their strong chemical bonds. PFAS have been found in human blood and can cause thyroid disease, increased cholesterol levels, liver damage, kidney cancer, and testicular cancer in humans. The goal of this study is to test the effectiveness of sorption and degradation removal methods on PFAS. The sorption method involves the use of biochar. Biochar can hold the PFAS in a concentrated area through electrostatic and hydrophobic properties. The degradation method involves using powerful ultraviolet (UV) light, in which free radicals will be produced and help break down PFAS molecules into simpler ones such as carbon and fluorine. The sorption experiment tested various modified corn biochar and the effect on perfluorobutanesulfonic acid (PFBS). It was found that biochar did have a positive removal effect on PFBS, and the biochar with the most modifications had the highest removal rate. The degradation experiment tested the effect of UV light and other modifications on PFBS. It was found that UV light did have a positive removal effect on PFBS, and the UV light combined with other modifications had a higher removal effect.

Biochar and surfactant synergistically enhanced PFAS destruction in UV/sulfite system at neutral pH

The UV/sulfite-based advanced reduction process (ARP) emerges as an effective strategy to combat per- and polyfluoroalkyl substances (PFAS) pollution in water. Yet, the UV/sulfite-ARP typically operates at highly alkaline conditions (e.g., pH > 9 or even higher) since the generated reductive radicals for PFAS degradation can be quickly sequestered by protons (H+). To overcome the associated challenges, we prototyped a biochar-surfactant-system (BSS) to synergistically enhance PFAS sorption and degradation by UV/sulfite-ARP. The degradation and defluorination efficiencies of perfluorooctanoic acid (PFOA) depended on solution pH, and concentrations of surfactant (cetyltrimethylammonium bromide; CTAB), sulfite, and biochar. At high pH (8–10), adding biochar and BSS showed no or even small inhibitory effect on PFOA degradation, since the degradation efficiencies were already high enough that cannot be differentiated. However, at acidic and neutral pH (6–7), an evident enhancement of PFOA degradation and defluorination efficiencies occurred. This is due to the synergies between biochar and CTAB that create favorable microenvironments for enhanced PFOA sorption and deeper destruction by prolonging the longevity of reductive radicals (e.g., SO3•−), which is less affected by ambient pH conditions. The performance of UV/sulfite/BSS was further optimized and used for the degradation of four PFAS. At the optimal experimental condition, the UV/sulfite/BSS system can completely degrade PFOA with >30% defluorination efficiency for up to five continuous cycles (n = 5). Overall, our BSS provides a cost-effective and sustainable technique to effectively degrade PFAS in water under environmentally relevant pH conditions. The BSS-enabled ARP technique can be easily tied into PFAS treatment train technology (e.g., advanced oxidation process) for more efficient and deeper defluorination of various PFAS in water.

Removal of per- and polyfluoroalkyl substances from water by plasma treatment: Insights into structural effects and underlying mechanisms

Non-thermal plasma emerges as a promising technology for per- and polyfluoroalkyl substances (PFAS) decomposition due to its notable efficacy and environmentally friendly characteristics. In this study, we demonstrated the efficacy of a falling film dielectric barrier discharge (DBD) system for the removal of 10 PFAS, including perfluoroalkyl carboxylic acids (PFCAs), perfluoroalkyl sulfonic acids (PFSAs) and hexafluoropropylene oxide (HFPO) oligomer acids. Results showed that compounds with fluoroalkyl chain length>4 were effectively decomposed within 100 min, with long-chain PFAS demonstrating more pronounced removal performance than their short-chain analogues. The superior removal but low defluorination observed in HFPO oligomer acids could be ascribed to their ether-based structural features. The integration of experimental results with density functional theory (DFT) calculations revealed that the synergistic effects of various reactive species are pivotal to their efficient decomposition, with electrons, OH•, and NO2• playing essential roles. In contrast, the degradation of PFSAs was more dependent on electron attack than that of PFCAs and HFPO oligomer acids. Significantly, the most crucial degradation pathway for HFPO oligomer acids was the cleavage of ether CO, whether through radical or electron attack. Furthermore, the demonstrated effective removal in various water matrices showed the potential of the plasma system for removing PFAS in complex aquatic environments. This study provided mechanistic insights into PFAS degradation behavior in plasma processes, and it underscored the vital influence of molecular structures on degradability, thereby contributing to the further development and regulation of plasma-based technologies for treating PFAS in water.

Research Progress on Distribution, Transportation, and Control of Per- and Polyfluoroalkyl Substances in Chinese Soils

Per- and polyfluoroalkyl substances (PFAS) are a class of persistent organic pollutants that have attracted much attention in recent years, which has the characteristics of diverse species, refractory degradation, long-distance transportation, easy bioaccumulation, etc. The distribution, accumulation, and potential toxicity of PFAS in water and organisms have received extensive attention worldwide. However, studies on PFAS distribution and transportation in soil are still hovering at a preliminary stage. The PFAS pollution surveys in Chinese soils are mainly concentrated in the economically developed eastern regions. The types and concentrations of PFAS in soils are directly related to the industrial types, atmospheric deposition, and human activities in these surveyed areas, which are similar to foreign soil surveys. Traditional perfluoro carboxylic acid (PFCAs) and perfluoro octane sulfonate (PFSAs) are the most important types of PFAS in Chinese soils. This study reviewed the distribution characteristics, transportation pathways, and influencing factors of PFAS in Chinese soils, as well as domestic and foreign control policies on PFAS pollution. Meanwhile, this study further pointed out the shortcomings of the current research on the distribution and control of PFAS in soil in order to provide a reference for the investigation, research, and control of PFAS pollution in Chinese soils.

Distribution, sources and ecological risks of per- and polyfluoroalkyl substances in overlying water and sediment from the mangrove ecosystem in Hainan Island, China

Since data on Per- and polyfluoroalkyl substances (PFASs) in mangrove ecosystems are very limited. This study investigated the occurrence, distribution, sources, and ecological risk of 24 PFASs in the overlying waters and sediments of mangrove systems in Hainan Island, China. The concentration levels of PFASs in water and sediment ranged from 6.3 to 35.3 ng/L and from 0.33 to 10.2 ng/g dw, respectively. In terms of spatial distribution, firstly, the mangrove forests in Haikou and Sanya contained higher levels of PFASs; secondly, the eastern region contained higher levels of PFASs than the western region. The reasons for this may be related to the population size and development level of the region. For the organic carbon normalized sediment-water partition coefficient (log Koc), the results showed that log Koc decreased with increasing carbon chains for short-chain PFASs (with ≤6 CF2 units) and increased with increasing carbon chains for long-chain PFASs (with ˃6 CF2 units). Principal Component Analysis (PCA) and correlation analysis were employed to pinpoint specific origins of PFASs, namely firefighting, metal plating, food packaging, textiles, and fluoropolymer manufacturing. The risk quotient (RQ) values of PFASs in mangrove ecosystems on Hainan Island were all <1, but the existence of potential risks cannot be excluded. Hence, further investigations related to the bioaccumulation effects of PFASs in organisms in mangrove forests should be conducted to gain a more comprehensive understanding of their environmental behavior.

Development and testing of novel functionalized polymeric thin-films for equilibrium passive sampling of PFAS compounds in water

The demand for an accurate assessment of exposure and risk from the presence of per- and polyfluoroalkyl substances (PFAS) in the aquatic environment has created the need for new methods of measurements in water at sub-parts per trillion concentrations. We explored the concept of equilibrium passive sampling for PFAS using the strategy developed for other organic compounds. Equilibrium passive sampling should predict the concentration of the chemically labile fraction of PFAS in water based on equilibrium partitioning into the sampler, without the need for site-specific calibration. Our goals were to identify sampler materials with the potential to mimic PFAS partitioning into animals and sediments and provide reversible sorption in a time frame appropriate for in situ samplers. To achieve this goal, we tested a range of candidate materials, including three broad classes of polymers embedded with suitable sorbents for PFAS. The most promising synthesized thin films were activated carbon (AC) embedded in agarose, silica-bonded human serum albumin (s-HSA) embedded in Agarose, WAX embedded in cellulose acetate, and HLB embedded in PDMS, which yielded log sampler–water partition coefficients close to 3 for many PFAS compounds. Sampler equilibration time in water was approximately one week. Investigation of the isotherms suggested that the sorption can be described across the concentration range of interest, from the ng/L range commonly found in natural uncontaminated waters to the ug/L concentrations found in contaminated sites. Also, the selected films exhibited relatively rapid desorption of PFAS, indicating that the sorbents are capable of reversible, equilibrium measurements. The present study demonstrates a potential new approach to passive sampling of PFAS.

Enhanced Adsorption of Mixtures of Per- and Polyfluoroalkyl Substances in Water by Chemically Modified Activated Carbon

Enhanced Adsorption of Mixtures of Per- and Polyfluoroalkyl Substances in Water by Chemically Modified Activated Carbon

Molecular detection of per- and polyfluoroalkyl substances in water using time-of-flight secondary ion mass spectrometry.

Detection of per- and polyfluoroalkyl substances (PFASs) is crucial in environmental mitigation and remediation of these persistent pollutants. We demonstrate that time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a viable technique to analyze and identify these substances at parts per trillion (ppt) level in real field samples without complicated sample preparation due to its superior surface sensitivity. Several representative PFAS compounds, such as perfluorooctanesulfonic acid (PFOS), perfluorobutanoic acid (PFBA), perfluoropentanoic acid (PFPeA), perfluoheptanoic acid (PFHpA), and perfluorononanoic acid (PFNA), and real-world groundwater samples collected from monitoring wells installed around at a municipal wastewater treatment plant located in Southern California were analyzed in this work. ToF-SIMS spectral comparison depicts sensitive identification of pseudo-molecular ions, characteristic of reference PFASs. Additionally, principal component analysis (PCA) shows clear discrimination among real samples and reference compounds. Our results show that characteristic molecular ion and fragments peaks can be used to identify PFASs. Furthermore, SIMS two-dimensional (2D) images directly exhibit the distribution of perfluorocarboxylic acid (PFCA) and PFOS in simulated mixtures and real wastewater samples. Such findings indicate that ToF-SIMS is useable to determine PFAS compounds in complex environmental water samples. In conclusion, ToF-SIMS provides simple sample preparation and high sensitivity in mass spectral imaging, offering an alternative solution for environmental forensic analysis of PFASs in wastewater in the future.

Efficient and fast remediation of soil contaminated by per- and polyfluoroalkyl substances (PFAS) by high-frequency heating

This study presents a novel thermal technology (high-frequency heating, HFH) for the decontamination of soil containing per- and polyfluoroalkyl substances (PFAS) and aqueous film-forming foams (AFFFs). Ultra-fast degradation of short-chain PFAS, long-chain homologs, precursors, legacy PFAS, emerging PFAS was achieved in a matter of minutes. The concentrations of PFAS and the soil type had a negligible impact on degradation efficiency, possibly due to the ultra-fast degradation rate overwhelming potential differences. Under the current HFH experiment setup, we achieved near-complete degradation (e.g., >99.9%) after 1 min for perfluoroalkyl carboxylic acids and perfluoroalkyl ether carboxylic acids and 2 min for perfluoroalkanesulfonic acids. Polyfluoroalkyl precursors in AFFFs were found to degrade completely within 1 min of HFH; no residual cationic, zwitterionic, anionic, or non-ionic intermediate products were detected following the treatment. The gaseous byproducts were considered. Most of gaseous organofluorine products of PFAS at low-and-moderate temperatures disappeared when temperatures reached 890 °C, which is in the temperature zone of HFH. For the first time, we demonstrated minimal loss of PFAS in water during the boiling process, indicating a low risk of PFAS entering the atmosphere with the water vapor. The findings highlight HFH its potential as a promising remediation tool for PFAS-contaminated soils.

Insights into Photo/Electrocatalysts for the Degradation of Per- and Polyfluoroalkyl Substances (PFAS) by Advanced Oxidation Processes

Per- and polyfluoroalkyl substances (PFASs) are an emerging group of persistent organic pollutants in aquatic environments with high levels of toxicity and bioaccumulation. The risks posed by PFASs to the environment and health have attracted increasing attention. To remove them from water, advanced oxidation processes (AOPs), with the merits of high efficiency and low cost, are mainly used. Photo/electrocatalytic heterogeneous AOPs, with the assistance of nanostructured catalysts and external energy in the form of light/electricity, have emerged as one of the most powerful techniques, overcoming the difficulty associated with defluorination and achieving the effective and complete degradation of PFASs in water. The structures of photo/electrocatalysts play a critical role in the production of reactive oxygen species, the electron transfer process, and the degradation pathway and its efficiency. Herein, to elucidate the structure–performance relationship, a review of photo/electrocatalysts for the enhanced degradation of PFASs in heterogeneous AOPs, organized according to their composition and nanostructure design, is provided. This review article is mainly focused on (1) the mechanisms and pathways of PFAS degradation by heterogeneous photo/electrocatalytic AOPs, and (2) the structural designs and modifications of photo/electrocatalysts for the enhanced degradation of PFASs by heterogeneous AOPs. Finally, the challenges and prospects for future research into photo/electrocatalysts of heterogeneous AOPs in the field of PFAS remediation are discussed.

Molecular interactions in short-chain perfluoroalkyl carboxylic acids and aqueous solutions.

The presence of short-chain per- and polyfluoroalkyl substances in water poses a major health and environmental challenge. Here, we have performed high-energy small- and wide-angle X-ray scattering measurements on CF3[CF2]nCOOH (where n = 1, 2, 3 represents the chain length) and their aqueous solutions at 10% mole concentrations to characterize their molecular interactions at the atomic and nanometer length scales. The experimental wide-angle structure factors have been modelled using Empirical Potential Structural Refinement. The oxygen-oxygen partial X-ray pair distribution functions show that the coordination number between the hydroxyl oxygen on the acid and surrounding oxygen water molecules increases significantly with acid chain length, rising from 3.2 for n = 1 to 4.1 for n = 3. The small-angle scattering is dominated by a sharp, high-intensity peak at Q1 ∼ 0.2 Å-1 and a smaller peak at Q2 = 1.2 Å-1 for n = 3, both of which decrease with decreasing chain length. The Q2 peak is attributed to groups of adjacent non-bonded acid molecules, and Q1 has contributions from both correlations between acid molecules and water-water interactions. In all cases, the models show nanoscale aggregation occurs in the form of denser channels of winding hydrogen-bonded chains, approximately 20 water molecules in length, surrounding clusters of acid molecules. This article is part of the theme issue 'Exploring the length scales, timescales and chemistry of challenging materials (Part 2)'.

A ReaxFF-based molecular dynamics study of the destruction of PFAS due to ultrasound

This work uses a computational approach to provide a mechanistic explanation for the experimentally observed destruction of per- and polyfluoroalkyl substances (PFAS) in water due to ultrasound. The PFAS compounds have caused a strong public and regulatory response due to their ubiquitous presence in the environment and toxicity to humans. In this research, ReaxFF -based Molecular Dynamics simulation under several temperatures ranging from 373 K to 5,000 K and different environments such as water vapor, O2, N2, and air were performed to understand the mechanism of PFAS destruction. The simulation results showed greater than 98% PFAS degradation was observed within 8 ns under a temperature of 5,000 K in a water vapor phase, replicating the observed micro/nano bubbles implosion and PFAS destruction during the application of ultrasound. Additionally, the manuscript discusses the reaction pathways and how PFAS degradation evolves providing a mechanistic basis for the destruction of PFAS in water due to ultrasound. The simulation showed that small chain molecules C1 and C2 fluoro-radical products are the most dominant species over the simulated period and are the impediment to an efficient degradation of PFAS. Furthermore, this research confirms the empirical findings observations that the mineralization of PFAS molecules occurs without the generation of byproducts. These findings highlight the potential of virtual experiments in complementing laboratory experiments and theoretical projections to enhance the understanding of PFAS mineralization during the application of ultrasound.

Brackish and Saline Groundwater Use—Is It Time to Reconsider USDW?

Groundwater Monitoring & RemediationAccepted Articles Regulator Perspective Brackish and Saline Groundwater Use – Is it time to reconsider USDW? Charles Job, Charles Job NGWA Regulatory Affairs Manager cjob@ngwa.org Search for more papers by this author Charles Job, Charles Job NGWA Regulatory Affairs Manager cjob@ngwa.org Search for more papers by this author First published: 11 April 2023 https://doi.org/10.1111/gwmr.12581 This article has been accepted for publication and undergone full peer review but has not been through the copyediting, typesetting, pagination and proofreading process, which may lead to differences between this version and the Version of Record. Please cite this article as doi: 10.1111/gwmr.12581. AboutRelatedInformationPDFPDF ToolsExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessClose modalShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Accepted ArticlesAccepted, unedited articles published online and citable. The final edited and typeset version of record will appear in the future. RelatedInformation RecommendedA Geochemical Approach to Determine Sources and Movement of Saline Groundwater in a Coastal Aquiferby Robert Anders, Gregory O. Mendez, Kiyoto Futa, Wesley R. Danskin, GroundwaterAn Analytical Method for Assessing Recharge Using Groundwater Travel Time in Dupuit‐Forchheimer Aquifersby R. Chesnaux, S. Santoni, E. Garel, F. Huneau, GroundwaterField Verification of Stable Perched Groundwater in Layered Bedrock UplandsJonathon T.V. Carter, Madeline B. Gotkowitz, Mary P. Anderson, GroundwaterField Evaluation of the Sentinel™ Integrative Passive Sampler for the Measurement of Perfluoroalkyl and Polyfluoroalkyl Substances in Water Using a Modified Organosilica AdsorbentPaul L. Edmiston, Erika Carter, Kevin Toth, Riley Hershberger, Noah Hill, Patrick Versluis, Patrick Hollinden, Craig Divine, Groundwater Monitoring & Remediation