Synopsis of PFAS work currently performed:

Dr. Long Qi at Ames Lab is leading an effort to use low-temperature plasma to degrade a wide range of perfluorinated materials, including polymers, under atmospheric conditions. Low-temperature plasmas can degrade PFAS under mild conditions. Dr. Qi is also devising non-destructive methods, including IR, Raman, and solid-state NMR spectroscopy to detection and characterize PFAS and related products in materials. High throughput, automated facilities are used to carry out the degradation and characterization studies.

List site capabilities that are being or could be applied to PFAS R&D:

Ames National Laboratory has a few unique capabilities that could benefit PFAS R&D - Ames Lab has a unique solid-state nuclear magnetic resonance (NMR) facility that is equipped with a 400 MHz/263 GHz dynamic nuclear polarization (DNP) NMR spectrometer. The DNP spectrometer enables the sensitivity of solid-state NMR experiments to be routinely enhanced by one to two-orders of magnitude, permitting the study of previously inaccessible materials and surface species. The solid-state NMR lab is also equipped with probes for fast magic angle spinning (MAS) NMR experiments. Such probes can be used to enhance the sensitivity and resolution of 1H and 19F solid-state NMR experiments. We envisage that 19F DNP or fast MAS solid-state NMR experiments could be used to observe PFAS binding to capture materials in order to elucidate molecular level binding mechanisms. Another interesting NMR experiment to elucidate PFAS binding mechanisms could be to prepare 17O-labelled PFAS materials. 17O labelling would enable the binding of carboxylic acids to capture materials to be observed. The Ames NMR team routinely applies these types of solid-state NMR experiments to study the surface structures of catalysts and inorganic nano materials. -Dr. Long Qi has high throughput, automated facilities are used to carry out the degradation and characterization studies.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

Operation of the Ames NMR lab is primarily supported by DOE BES via CSGB and MSED programs that are aimed at catalysis and materials science. However, we have no specific funding for PFAS research at the moment.

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

None

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

Dr. Long Qi's research on plasma degradation of PFAS is carried out in collaboration with Missouri University of Science and Technology.

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

Our work investigates removal strategies for per- and polyfluoroalkyl substances (PFAS) in aqueous solutions using sorbent platforms based on the OleoSponge. We explore the modification of surface functional groups specifically tailored for PFAS sorption in water-based environments.

List site capabilities that are being or could be applied to PFAS R&D:

Surface functionalization routines and methods; High-Throughput Experimental Testbeds

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

Laboratory Directed Research and Development (LDRD) - Argonne National Laboratory

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

N/A

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

Yes

If yes, please name the potential collaboration:

Environmental Protection Agency

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

A few PFAS projects have been performed (or being performed) in my department: 1. Development of PFAS Ecologic Screening Values (ESVs) for supporting early site investigation and scoping In support of the DOD Air Force since October 2018, Argonne National Laboratory has developed and periodically updated ecological screening values (ESVs) for soil and surface water following respective EPA and other agency's guidance, incorporating primary data source from ECOTOX knowledgebase, and using multiple methods (e.g Foodchain model). The initial results are mainly for 8 PFAS. The work has been performed in collaboration with the Army, Navy and EPA’s Office of Water. 2. AI tool development for prediction of PFAS toxicity, physical/chemical properties that affect fate and transport, and PFAS transport: (a) An Artificial Intelligence (AI) workflow has been developed for predicting PFAS toxicity based on PFAS chemical structures using deep learning methods. A protocol of deep learning process has been tested for 8163 PFAS compounds. The uncertainty quantification helps prioritize PFAS compounds for further testing. (b) An on-going research activity is to utilize AI workflow to predict PFAS key properties (e.g. Kd, Koc etc) that affect PFAS transport, especially PFAS precursors and terminal compounds. (c) Develop an AI tool using physics-informed neural network to simulate PFAS migration in porous media to speed up the computation and to enable ensembles for uncertainty quantifications, as well as numerical testing for optimal remedial strategy.

List site capabilities that are being or could be applied to PFAS R&D:

1, The PFAS ecologic screening values (ESVs) could be used for initial evaluation and scoping at any existing, PFAS affected DOE sites. 2. AI tool for modeling could be tested at any DOE sites as PFAS R&D.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

DOD Airforce; LDRD; USDA

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

Feinstein J, Sivaraman G, Picel K, Peters B, Vázquez-Mayagoitia Á, Ramanathan A, MacDonell M, Foster I, Yan E. Uncertainty-Informed Deep Transfer Learning of Perfluoroalkyl and Polyfluoroalkyl Substance Toxicity. J Chem Inf Model. 2021 Dec 27;61(12):5793-5803. doi: 10.1021/acs.jcim.1c01204. Epub 2021 Dec 14. PubMed PMID: 34905348.

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

US EPA; University of Delaware

If yes, please name the potential collaboration:

University of Delaware;

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

Synthesis and characterization of electrocatalysts for PFAS destruction.

List site capabilities that are being or could be applied to PFAS R&D:

Atomic layer deposition of complex materials on powders and membranes. Scaleup of these methods and materials (e.g., kg's of catalyst powder or meter-scale catalyst membranes). Extensive analytical capabilities for materials characterization.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

DOE

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

None

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

University of Illinois at Chicago

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

My research group has been exploring the use of field-effect transistor (FET) sensors for rapid detection of PFAS in water. Through seed funding from UChicago, Argonne National Laboratory has an ongoing collaboration with UChicago on the design of molecular probes using AI/ML to demonstrate selective PFAS sensors using 2D nanomaterials-based FET devices.

List site capabilities that are being or could be applied to PFAS R&D:

Argonne’s APS is powerful in characterizing interactions between PFAS and various materials and surfaces.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

Seed funding from UChicago

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

Y. Q. Wang, H. J. Jang, M. Topel, S. Dasetty, Y. N. Liu, M. Ibrahim, J. V. Buren, V. Rozyyev, J. Elam, E. Ouyang, W. Zhuang, H. H. Pu, S. S. Lee, A. Ferguson*, S. B. Darling*, and J. H. Chen*, “Reversible ppt-Level Detection of Perfluorooctane Sulfonic Acid in Tap Water using Field-Effect Transistor Sensors," Submitted to Nature Water. S. Dasetty, M. Topel, Y. F. Tang, Y. Q. Wang, E. Jonas, S. Darling, J. H. Chen, A. C. Ferguson, "Data-driven Discovery of Linear Molecular Probes with Optimal Selective Affinity for PFAS in Water," Journal of Chemical & Engineering Data 68(12), 3148-3161, 2023. C. Benmore, Y. Q. Wang, S. B. Darling, and J. H. Chen*, "Molecular interactions in short-chain perfluoroalkyl carboxylic acids and aqueous solutions," Phil. Trans. R. Soc. A 381(2259), 20220333, 2023. Y. Q. Wang, S. Darling*, and J. H. Chen*, "Selectivity of Per- and Polyfluoroalkyl Substance Sensors and Sorbents in Water," ACS Applied Materials & Interfaces 13(51), 60789-60814, https://doi.org/10.1021/acsami.1c16517, 2021

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

University of Chicago

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

The work carried out by the Electrochemical Materials and Interfaces Group at the Materials Science Division at Argonne National Laboratory focuses on two aspects of PFAS-related R&D. In the first topic, we have been evaluating the potential generation of PFAS-type compounds due to the degradation of ion exchange membranes that contain perfluorinated sulfonic acid groups that are used in water electrolyzer and fuel cells. We have focused on the quantitative determination of the formation of any of the 40 PFAS compounds listed in the EPA 1633 method using liquid chromatography coupled to mass spectrometry methods (LC-MS), as well as identifying unknown analytes that may contain carbon-fluorine bonds using time-of-flight mass spectrometry. In the second topic, we have been evaluating the use of electrochemical advanced oxidation methods for the destruction of PFAS compounds but using earth-abundant critical mineral-containing catalyst materials such that they can produce reactive oxygen species in situ and the process is integrated with recovery of the spent catalyst which release the limits on the need for more critical minerals in the process.

List site capabilities that are being or could be applied to PFAS R&D:

LC-MS (Triple Quadrupole) for ppt level quantitative determination of targeted PFAS compounds. LC-MS (Quadrupole Time of Flight) for ppt/ppb level quantitative determination of unknown PFAS-related compounds. GC-MS (Triple Quadrupole) for ppt level quantitative determination of volatile targeted PFAS compounds. PAL Autosampler for automated sample preparation using SPME pre-concentration method to achieve single-digit ppt detection limits for PFAS quantification. Suit of electrochemical and materials science characterization tools for evaluation of destruction methods using an electrochemical process.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

DOE EERE - H2NEW Consortia DOE BES - EFRC Advanced Materials for Energy-Water Systems

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

none to report at this time.

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

EFRC Collaborator Institutions - University of Chicago, Northwestern University, Princeton University H2NEW Collaborator Institutions - NREL, ORNL, LBNL, LANL, Colorado School of Mines,

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

We develop contactless and label-free PFAS sensing devices, which has the potential to be used as portable PFAS detectors.

List site capabilities that are being or could be applied to PFAS R&D:

Our site capabilities include circuit and sensor fabrication using printed electronics technology.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

Our project was funded by a private company through a CRADA agreement, which has completed. We are seeking new funding opportunities to continue this research.

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

N/A

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

3M Company

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

ANL has demonstrated technical feasibility of electrochemical adsorption/separation technology, resin wafer electrodeionization (RW-EDI), to remove/capture/concentrate >99.9%PFAS from 100 ppb PFAS aqueous surrogate using commercial ion-exchange resin beads and ion-conductive membranes. Performance data. 1. >99.9% PFAS; 2.the remove/capture/concentrate AES enables to reduce PFAS waste solution to < 1% with PFAS titer in 1 wt.% for destruction; 3. Preliminary TEA shows < $2/tonne of 99.9% removal from 100 ppb PFAS aqueous.

List site capabilities that are being or could be applied to PFAS R&D:

1. Advance electrochemical separation (AES) technologies R&D and deployment capability - exploratory, bench-scale and pilot-scale devices and systems for water treatment demonstration and test bed. 2. Utilizing Argonne's advanced photon source to characterize advance material for PFAS capture and removal. 3. Multiphysics process simulation of AES for diagnosis and scale-up of AES for PFAS removal/capture/concentration 4. Proprietary porous wafer material manufacture technology (commercial size and scale) to produce various ions-conductive/PFAS adsorbent for used in AES

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

Argonne laboratory overhead was used in the technical feasibility test.

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

The data is listed in Argonne internal report. We can make it accessible for collaborators

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

Yes

If yes, please name the potential collaboration:

We are looking for R&D groups in developing PFAS adsorbent and PFAS destruction technologies. Argonne's AES can be used as test bed.

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

Device being set up in bldg. 598; its purpose is development power efficient water treatment technique that can remove PFASs, 1,4 Dioxane from the water supply. And, deactivating all pathogens, degrading all pharmaceuticals and other chemical contaminates, by in-water electric plasma generation, at unprecedented rate, which no existing technique can do. The plasma is in-water vortex stabilized water plasma arc, in which novel technology is employed to prevent electrode erosion.

List site capabilities that are being or could be applied to PFAS R&D:

The device is essentially an in-water blow torch that should disintegrate all contaminants by brute force, since plasma particles, UV and advance oxidation process (AOP) chemicals can break contaminants’ bonds. But, unlike presently utilized or proposed electron beams and plasmas, which are not stabilized, this plasma is stabilized, providing confinement to electrons and ions driving the electric arc. Hence, the electric power efficiency that translates to unprecedented high treatment rates at a reasonable cost (estimated at 3 cent per 1000 liter for a 20 KW prototype wastewater treatment plant; capable of disinfecting 2,690 liters/sec of pathogens and degrade 216 liter/sec of antibiotics, if the technique works as expected). No PFAS data exists to extrapolate from.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

LDRD

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

1. Article describing water shortage problems article http://www.ft.com/cms/s/2/8e42bdc8-0838-11e4-9afc-00144feab7de.html 2. December 10, 2015 USATODAY Top Stories Much of the planet relies on groundwater, which contaminated in places around the world – from the United States to Asia, www.usatoday.com/pages/interactives/groundwater/ 3. December 12, 2015 USATODAY Much of the planet relies on groundwater, and it's disappearing. www.usatoday.com/.../vanishing-groundwater.../77093846/ 4. Chlorine disinfection products are suspect of carcinogen generation. https://engineering.asu.edu/lcnano/2015/08/31/methadone-in-the-water-whats-the-real-risk/ 5. Water Online News February 19, 2016 Feature titled “Sewage Treatment Seen As Barrier To Rising Antibiotic Resistance” http://www.wateronline.com/doc/sewage-treatment-seen-as-barrier-to-rising-antibiotic-resistance-0001 6. M. Dors’ 2013 presentation titled “PLASMA FOR WATER TREATMENT”, http://www.plastep.eu/fileadmin/dateien/Events/2011/110725_Summer_School/Plasma_water_treatment.pdf 7. H. Zuckerman, Ya. E. Krasik, J. Felsteiner, Innovative Food Science and Emerging Technologies 3, 329 (2002). 8. N. Parkansky, B. Alterkop, R. Boxman, H. Mamane, D. Avisar, Plasma Chem. Plasma Process 28, 583 (2008) 9. O. Schoenherr, Elektrotech Z. 30, 365 (1909). 10. H. Gerdien and A. Lotz Wiss. Veroff. Siemens-Konz. 2, 489 (1922). 11. Emil Pfender Chapter 5 in Gaseous Electronics, Vol. 1, edited by M. N. Hirsh and H. J. Oskam, titled "Electric Arcs and Arc Gas Heaters." Academic Press, New York 1978. 12. F. Burnhorn, H. Maecker, and Th. Peters Z. Phys. 131, 28 (1951). 13. A. Hershcovitch, Physics of Plasmas 15, 0517101 (2008). 14. V. Nemchinsky and W. Severance, J. Phys. D: Appl. Phys. 39, R423 (2006). 15. A. Tamošiunas, P. Valatkevicius, V. Grigaitien, and V. Valincius, World Academy of Science, Engineering and Technology Vol:71 2012-11-25. 16. A. Hershcovitch and V.J. Kovarik, Rev. Sci. Instrum. 54, 328 (1983); A.I. Hershcovitch, V.J. Kovarik, and K. Prelec, Rev. of Sci. Instrum. 57, 827 (1986). 17. Yu. A. Barinov, V. B. Kaplan, and S. M. Shkol’nik, Pis’ma v Zhurnal TekhnicheskoÏ Fiziki, 31, 26 (2005).

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

Yes

If yes, please name the potential collaboration:

If the concept will reach technology readiness level (TRL) 5, investment from industries e.g. American Water and DOW can be expected.

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

We employ synchrotron based, liquid surface x-ray scattering methods to study the structure of PFAS monolayers at the liquid/vapor interface. These x-ray methods include reflectivity for studying the surface normal density profile, grazing incidence scattering to investigate the lateral structure and grazing angle x-ray fluorescence to study the concentration of interfacial ions. Our results provide the first comprehensive measure of the surface structure of PFAS monolayers. These methods are superior to the Gibbs Equation (indirect, thermodynamic method) for measuring the surface excess and also give significantly different values. These differences, in other systems, have in part been ascribed to a distribution in micelle sizes. We are investigating various PFAS molecules in pure water and in the presence of various inorganic ions and cationic surfactants.

List site capabilities that are being or could be applied to PFAS R&D:

Liquid surface x-ray scattering methods at the OPLS beam line NSLSII/BNL.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

NSLS II support through the DOE that supports the facility and through a BNL funded LDRD (expected to start on 10/1/2024).

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

This is a new project and we are working on our first publication.

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

Stony Brook University New Jersey Institute of Technology City College of New York

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

We are currently investigating redox pathways leading to PFAS degradation using radiolytic methods.

List site capabilities that are being or could be applied to PFAS R&D:

Pulse radiolysis facility at the Accelerator Center for Energy Research.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

DOE BES

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

none

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

Stephen Mezyk (California State University, Long Beach)

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

We focus on studying structures and properties of PFAS at vapor-liquid interfaces via X-ray scattering methods utilizing the established hard X-ray liquid surface scattering capabilities at SMI-OPLS beamline, NSLS-II, BNL. Our goal is to gain a mechanistic understanding of the interfacial accumulation of PFAS molecules as well as mixtures of PFAS molecules and cationic surfactants in the absence and presence of various salts. Specifically, we use X-ray reflectivity to determine the surface-normal electron density profile, grazing-incidence diffraction to the lateral molecular structure, X-ray fluorescence to determine interfacial element distribution close to the interface. By combining these efforts, we aim to establish for the first time interfacial structure-property relationships for accumulation of PFAS at the air/water interface enhanced by cationic surfactants. Our study is directly related to optimizing surface accumulation of PFAS for bubbling-assisted water treatment.

List site capabilities that are being or could be applied to PFAS R&D:

Liquid surface X-ray scattering and spectroscopy techniques at SMI-OPLS beamline, NSLS-II, BNL.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

Internal funding support at BNL through LDRD (Type-B LDRD FY2025). This research uses the SMI-OPLS beamline of the National Synchrotron Light Source II, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704.

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

Our first manuscript is in preparation.

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

Stony Brook University, New Jersey Institute of Technology, The City College of New York

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

My lab group is utilizing analytical techniques [e.g., liquid chromatography tandem mass spectrometry (LCMS/MS), confocal microscopy, and transmission electron microscopy with energy dispersive X-ray spectroscopy (TEM-EDS)] to fill knowledge gaps on the distribution and accumulation of PFAS within hyperaccumulating plant species. Realistic outcomes will be an original dataset of physical-chemical properties-dependent uptake mechanisms and subcellular distributions of PFAS in hyperaccumulating plants. This information will improve predictive capabilities on the occurrence, persistence, and fate of contaminants of environmental concern in terrestrial systems. The method development included in this project will also provide a novel way to detect PFAS at the cellular and subcellular level within a multitude of plant species.

List site capabilities that are being or could be applied to PFAS R&D:

The NSLS II as well as the electron microscopes at the CFN could be applied to PFAS R&D

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

Academia

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

N/A

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

Yes

If yes, please name the potential collaboration:

Collaboration with other national labs with access to unique detection methods

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

We are utilizing simultaneous optical-photothermal infrared (O-PTIR) and Raman spectroscopy and microscopy with sub-500nm spatial resolution to characterize and identify PFAS in samples.

List site capabilities that are being or could be applied to PFAS R&D:

Multimodal vibrational spectroscopy, namely optical-photothermal infrared (O-PTIR) and Raman spectroscopy and microscopy.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

Brookhaven National Laboratory - Laboratory Directed Research and Development (LDRD) .

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

N/A

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

Yes

If yes, please name the potential collaboration:

Allied Microbiota

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

Electron beam accelerators can be used to create multiple active species directly from water that are useful in destruction of contaminants like PFAS. We have demonstrated that through water radiolysis driven by electron beam accelerators aqueous electrons are effective at destroying PFAS in general and specifically PFOA and PFOS. Complete defluorination with no harmful side effects can be achieved on time scales of minutes at flow rates of up to 1,000 gallons per hour of highly concentrated PFAS. Destruction of PFAS via electron beam would be best served as a part of a water treatment system that incorporated pretreatment technology. Treatment operating costs via electron beam are comparable to conventional water treatment technologies if the PFAS concentrations are high. Capital costs for the technology is comparatively high to conventional technology and there is a lack of familiarity to the technology, both reasons are barriers to implementation of the technology. We are currently looking for collaborations of demonstration of the technology at scale. Work to date can partially be seen here (https://www.osti.gov/biblio/2349585).

List site capabilities that are being or could be applied to PFAS R&D:

At Fermi National Accelerator Lab we have an electron beam accelerator that can be used for destruction of PFAS R&D. This is the same accelerator where R&D on PFAS destruction has been done thus far(https://www.osti.gov/biblio/2349585).

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

We had DOE Office of Science and EERE money. Currently there is no funded work.

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

1. https://www.osti.gov/biblio/2349585 Degradation of Poly- and Perfluoroalkyl Substances (PFAS) in Water via High Power, Energy-Efficient Electron Beam Accelerator 2. (https://doi.org/10.2172/1837061) Application of electron beam technology to decompose persistent emerging drinking water contaminants: poly- and perfluoroalkyl substances (PFAS) and 1,4-Dioxane 3. K. Londhe, Energy Evaluation of Electron Beam Treatment of Perfluoroalkyl Substances in Water: A Critical Review ACS EST Engg. 2021, 1, 5, 827–841

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

3M Stony Brook University

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

Performance of a sitewide Preliminary Assessment of PFAS. Oversight of drinking water monitoring for PFAS.

List site capabilities that are being or could be applied to PFAS R&D:

We are still in the investigation phase at this point in time. There is a potential need for drinking water treatment if concentrations increase in our drinking water supply.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

BEA is currently self-funding investigation and monitoring.

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

NA.

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

No

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

Evaluation the impact of moderate-to-high pressure on the ionizing radiation-induced destruction of PFAS.

List site capabilities that are being or could be applied to PFAS R&D:

Idaho National Laboratory (INL) Center for Radiation Chemistry Research (CR2) - cobalt-60 gamma irradiators and advanced characterization facilities. University of Nevada Las Vegas - high pressure apparatus. National Scientific User Facilities - x-ray beamlines for characterization and destruction.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

Overhead - INL Laboratory Directed Research and Development.

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

Current publications are under journal review.

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

University of Nevada Las Vegas - Professor Michael Pravica

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

Soils have been identified as significant reservoirs and long-term sources of PFAS pollution to surface water, groundwater, the atmosphere, and biota. While both long-chain and short-chain PFAS are present in soils, short-chain and perhaps even ultrashort-chain PFAS will be of increasing importance. For in-situ contaminated soil treatment, separation technology that can remove PFAS from soil is challenged by (1) the poor adsorbent stability at elevated pressures and temperatures relevant to subsurface reservoir conditions; (2) potential secondary pollution by the applied adsorbent, (3) the needs for tunable properties that are capable for both short- and long-chain PFAS separation, and (4) the difficulties in large-scale production with low-energy cost. A new nanobubble-based adsorbent is being investigated at Berkeley Lab for in-situ separation and concentration of both long-chain and short-chain PFAS from impacted soils. The primary goals of this research are to (1) develop a low-energy-cost, cavitation-based nanofabrication capability for producing nanobubble water at an industrial-scale; (2) investigate the nano-scale fundamentals of nanobubble-PFAS interfacial interactions, including hydrophobic adsorption of long-chain PFAS and tunable electrokinetic adsorption of short-chain PFAS in low concentrated salt solutions; (3) evaluate the performance of nanobubble water in PFAS removal via batch sorption experiments, bench-scale soil-washing, intermediate-scale flow tests and cross-scale models with different types of soil samples collected from contaminated sites.

List site capabilities that are being or could be applied to PFAS R&D:

1. Lab capabilities: dedicated nanobubble generator; bath sorption testing and bench-scale soil-washing capability; 2. DOE user facilities: Cryo-TEM and in-situ TEM; Advanced Light Source 3. Modeling: Pore- and large-scale modeling capability for multiphase flow and reactive transport; 4. Field experiment capability: Geosciences Measurement Facility at LBNL.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

Laboratory Directed Research and Development (LDRD), Berkeley Lab.

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

1. Brusseau M.L., Anderson RH, Guo B., 2020. PFAS concentrations in soils: Background levels versus contaminated sites. Science of The Total Environment740, 140017. 2. Brusseau, M.L., 2023. Influence of chain length on field-measured distributions of PFAS in soil and soil porewater. JHM Letters, 4, 100080. 3. Wang, Y., Munir, U. and Huang, Q., 2023. Occurrence of Per-and Polyfluoroalkyl Substances (PFAS) in Soil: Sources, Fate, and Remediation. Soil & Environmental Health, 1(1), 100004. 4. Gagliano, E., Sgroi, M., Falciglia, P.P., Vagliasindi, F.G.A., Roccaro, P., 2020. Removal of Poly- and Perfluoroalkyl Substances (PFAS) from Water by Adsorption: Role of PFAS Chain Length, Effect of Organic Matter and Challenges in Adsorbent Regeneration. Water Res.,171,115381. 5. Summary Report: Strategic Workshop on Management of PFAS in the Environment. 6. Kulkarni, P. R., Aranzales, D., Javed, H., Holsen, T. M., Johnson, N. W., Richardson, S. D., Thagard, S. M., & Newell, C. J. (2022). Process to separate per- and polyfluoroalkyl substances from water using colloidal gas aphrons. Remediation, 32, 167–176. 7. Kuzniewski, S., 2022. EPA's detection methods, the drinking water treatability database, and innovative technologies for PFAS remediation. Remediation, 32, 309–323. 8. Tuziuti, T., Yasui, K., Kanematsu, W., 2017. Influence of increase in static pressure on bulk nanobubbles. Ultrasonics – Sonochemistry, 38, 347–350. 9. Cho, C.H., Shin, H. J., Singh, B., Kim, K., Park, H.M., 2023. Assessment of sub-200-nm nanobubbles with ultra-high stability in water. Applied Water Science, 13, 149. 10. Han, S., Lee, S., Joung, Y.S., 2022. Long-term effect of nanobubbles generated by turbulent flow through diamond-pattern notches on liquid properties. Results in Engineering, 14, 100375. 11. Tuziuti, T., Yasui, K., Kanematsu, W., 2023. Decrease in the Surface Tension of Nanobubble Dispersion in Water:Results of Surface Excess of Bulk Nanobubbles at Interfaces. Langmuir, 39, 5771-5778. 12. Cooley, M.B., Wulftange, W. J., Wegierak, D., Goreke, U., Abenojar, E.C., Gurkan, U.A., Exner, A. A., 2023. Real-time imaging of nanobubble ultrasound contrast agent flow, extravasation, and diffusion through an extracellular matrix using a microfluidic model. Lab Chip, 23, 3453. 13. Liu, W., Lin, T., Zhang, X., Jiang, F., Yan, X., Chen, H., 2022. Adsorption of perfluoroalkyl acids on granular activated carbon supported chitosan: Role of nanobubbles. Chemosphere, 309, 136733. 14. Hewage, S.A., Kewalramani, J., Meegoda, J. N., 2021. Stability of nanobubbles in different salts solutions. Colloids and Surfaces A, 609,125669. 15. Bui. T. T. and Han, M. Decolorization of dark green Rit dye using positively charged nanobubbles Technologies, 2020. Separation and Purification Technology, 233, 116034. 16. Chen, S. and Guo, B., 2023. Pore-scale modeling of PFAS transport in water-unsaturated porous media: Air–water interfacial adsorption and mass-transfer processes in thin water films. Water Resources Research, 59, e2023WR034664. 17. Flint, E.B. Suslick, K.S., 1991. The Temperature of Cavitation, Science, 253, 1397-1399. 18. Carpenter, J., Pinjari, D.V., Saharan, V. K., Pandit, A. B., 2022. Critical Review on Hydrodynamic Cavitation as an Intensifying Homogenizing Technique for Oil-in-Water Emulsification: Theoretical Insight, Current Status, and Future Perspectives. Ind. Eng. Chem. Res. 2022, 61, 30, 10587–10602. 19. Wang, W.; Xu, T.; Chen, J. G.; Shangguan, J. Y.; Dong, H.; Ma, H. S.; Zhang, Q. B.; Yang, J. W.; Bai, T. T.; Guo, Z. R. et al. Solid–liquid–gas reaction accelerated by gas molecule tunnelling-like effect. Nat. Mater. 2022, 21, 859–863.

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

Yes

If yes, please name the potential collaboration:

University of Arizona, GSI Environmental Inc., DoD

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

I worked on a proposal for the Department of Defense on PFAS modeling. I have conducted an extensive literature review and possess expertise in Reactive Transport modeling. However, I do not have any direct experience with PFAS.

List site capabilities that are being or could be applied to PFAS R&D:

NA

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

NA

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

NA

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

Yes

If yes, please name the potential collaboration:

ERDC and EXWK

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

To the best of my knowledge there are no funded projects at this time dedicated to PFAS.

List site capabilities that are being or could be applied to PFAS R&D:

Biosciences at LBNL have several capabilities that could be applied to PFAS R&D: We develop fabricated ecosystems of various scales for performing mechanistic research targeted at soil and plant ecosystems. These range in scale from systems that house single model plants (EcoFABs) in a few cm3 of soil, liquid or soil-like matrices to EcoPODs which can be 1 m deep and could be applicable for understanding how these compounds are degraded or disrupt specific plants or clades of soil communities in the soil. We have also developed the EcoBOT for automated analysis of smaller scale EcoFABs. LC-MS/MS facilities are routinely used to characterize various environmental samples, including soils, for internal and collaborative projects as well as through JGI user proposals. PFAS have distinctive, known MS/MS signatures and these compounds have been observed in many processed environmental samples. The Biological Systems and Engineering Division has facilities for performing animal and/or mammalian cell lines studies that could be used to assess persistence, metabolism, disruption of endocrine systems, alterations in behavior and impacts on microbiomes of various PFAS species. They also can conduct IR, RAMAN and hyperspectral analyses for direct detection of these compounds in complex matrices. The National Center for X-ray Tomography is a unique facility for studying cellular structures non-invasively in a high throughput manner. ABPDU works with a variety of groups, including private companies, to scale up bio-manufacturing processes from lab bench to production scale. These facilities could be of importance for the creation of alternative compounds/processes that obviate the need for using these compounds in the first place.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

None at this time.

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

NA

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

Yes

If yes, please name the potential collaboration:

These could be wide reaching depending on the nature of the study and the partner. Examples might include collaborating with researchers studying particular processes, organisms (microbial, plant or other) or locations that are relevant to PFAS contamination where the LBNL resources could be used to help answer questions relevant to their remediation, fate, toxicity or distribution. As mentioned, there are also opportunities for those looking into alternative compounds/manufacturing methods.

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

Machine Learning Enabled Novel Discovery for PFAS Degradation by microbial consortia

List site capabilities that are being or could be applied to PFAS R&D:

Machine learning, biochemistry, microbial consortia, biodegradation

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

other

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

none

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

Yes

If yes, please name the potential collaboration:

Fast efficient, cost effective PFAS detection/ measurement tools

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

We have currently worked on developing a non-targeted method for the analysis of PFAS in Explosives

List site capabilities that are being or could be applied to PFAS R&D:

LCxLC -QTOF and GCxGC-HRT are the capabilities that we are using, but we have a suite of analytical instrumentation available

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

NNSA

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

NA

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

Yes

If yes, please name the potential collaboration:

Water filtering *Must be able to handle explosives

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

NREL is engaged in a number of areas related to PFAS. These include: (a) synthesis of small molecule PFAS and understanding the degradation mechanisms of PFAS using computational methods; (b) redesigning plastics processing aides to avoid the use of PFAS; (c) concentration of PFAS from complex media in battery recycling (black mass); and (d) other energy technology PFAS uses and challenges (semiconductor manufacturing, solar, power electronics, microelectronics).

List site capabilities that are being or could be applied to PFAS R&D:

Noted above: synthesis and computational modeling of PFAS degradation products; design and testing of alternatives to PFAS; extraction of PFAS from complex media.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

DOE-EERE-BETO, DOE-EERE-VTO, DOE-EERE-HFTO, Private.

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

None public (most work is unpublished to date and/or with companies).

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

ANL

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

NREL is engaged in several R&D areas associated with PFAS. The topics I and my colleague Hai Long are actively working on include: 1) design, synthesis and characterization of PFAS small molecules and polymer materials for applications in anion-exchange membranes (AEM) and proton-exchange membranes (PEM); 2) utilizing computational modeling to understand and predict PFSA degradation mechanisms; 3) synthesis of small molecules PFAS model compounds for degradation study; 4) development of high-performance and robust non-fluorinated materials for AEM and PEM as substitutes for PFAS.

List site capabilities that are being or could be applied to PFAS R&D:

design, synthesis and computational modeling of PFAS materials and degradation products; design, synthesis and testing of alternatives to PFAS; extraction of PFAS from complex media.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

DOE-EERE-BETO, DOE-EERE-VTO, DOE-EERE-HFTO, Private.

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

https://iopscience.iop.org/article/10.1149/09208.0723ecst https://iopscience.iop.org/article/10.1149/08008.0957ecst https://www.hydrogen.energy.gov/docs/hydrogenprogramlibraries/pdfs/review18/fc147_pivovar_2018_o.pdf?Status=Master

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

3M , Chemours Company

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

At ORNL, we are reviewing the environmental impact of a new class of refrigerants (Hydrofluoroolefins-HFO) which generate trifluoroacetic acid (TFA), the simplest PFAS. Upon release or leak to the atmosphere, HFOs like HFO-1234yf react with OH radicals that generates TFA at 100% yield. The formation and transformation of TFA from refrigerants in the atmosphere are still uncertain, particularly their dispersion, loss, and participation in other atmospheric processes (i.e. aerosol formation). Also at ORNL, we are developing new techniques to identify PFAS, particularly trifluoroacetic acid, using chemical ionization mass spectrometer that can provide high temporal resolution (1 sec) datasets. The new technique will require no preconcentration and utilization of harmful chemicals, yet still can provide low limit of detection. The use of newly developed mass spectrometers in PFAS detection delivers measurement capability with high degree of confidence due to low interferences from other compounds.

List site capabilities that are being or could be applied to PFAS R&D:

ORNL has two units of Proton Transfer Reaction Time-of-Flight High Resolution Mass Spectrometers (PTR-ToF-MS) 6000x2 that are being explored to identify PFAS in both gas and particle phase. Any compound with proton affinity higher than water (690 kJ/mol), which most PFAS have higher values, can be detected by the PTR-ToF-MS. The instrument provides low limit of detection of 10 parts per trillion (ppt) with mass resolution and sensitivity of 6000 m/?m and 2000 cps/ppbv for most compounds. No preconcentration needed thus allows instrument response as fast as 100 milliseconds.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

DOE Building Technologies Office (BTO)

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

Atmospheric Transformation of Refrigerants: Current Research Developments and Knowledge Gaps - Conference paper for Herrick Conferences 2024 Critical Literature Review of Low Global Warming Potential (GWP) Refrigerants and Their Environmental Impact - ORNL TM to be published soon.

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

No

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

As part of a SERDP-funded project, we are investigating the effect of PFAS compounds on a model freshwater organism, Daphnia magna. We are identifying individual-level effects of PFAS (decreased survival, growth, and/or reproduction) and also sampling individuals for transcriptomic analyses to quantify molecular or suborganismal-level effects. Through bioenergetic modeling informed by the transcriptomic data, we aim to connect molecular-level (gene expression) to individual-level (changes in fitness) effects of PFAS compounds to aid in predicting the effect of PFAS mixtures in the environment.

List site capabilities that are being or could be applied to PFAS R&D:

- freshwater ecotoxicology - environmental toxicology - bioaccumulation sampling and analysis - predictive ecotoxicology - quantitative ecology - bioenergetic modeling

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

SERDP

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

Coy, C. O., Steele, A. N., Abdulelah, S. A., Belanger, R. M., Crile, K. G., Stevenson, L. M., & Moore, P. A. (2022). Differing behavioral changes in crayfish and bluegill under short-and long-chain PFAS exposures: Field study in Northern Michigan, USA. Ecotoxicology and Environmental Safety, 247, 114212.

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

Michigan State University, University of California, Santa Barbara, University of Cologne

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

I am currently participating in a SERDP-funded project focused on the development of a testing framework that will evaluate the toxicity of complex mixtures of per- and polyfluoroalkyl substances (PFAS) based on biological effects by connecting macromolecular and suborganismal responses to impacts on whole animals. The framework will use putative molecular initiating events identified computationally, toxicity pathways identified through transcriptomic signatures, and toxic effects integrated within bioenergetic models to predict whole organism responses that can be translatable to population risk. New approach methodologies will be incorporated into standardized tests to efficiently screen chemical mixtures and inform hazard estimations and remediation needs. We are currently conducting standardized tests on Daphnia and fathead minnows to evaluate effects of a PFAS mixture found in Clark’s Marsh and perfluorooctanesulfonic acid (PFOA) alone. In addition to standardized tests, toxicity will be evaluated using several new approaches, including transcriptomics and molecular docking. The experiments will link transcriptomic signature responses to specific physiological modes of action (pMoA) relevant for dynamic energy budgets of organisms. Once this linkage is established, the project team will demonstrate how this approach can improve population predictions for ecological risk assessment, and test that the approach is able to discern PFAS toxicity patterns from mixtures in the field using caged fathead minnows. Separately, we are funded through DOE's Building Technologies Office to evaluate the environmental impacts of next generation refrigerants, some of which may include PFAS compounds or which may breakdown into PFAS compounds.

List site capabilities that are being or could be applied to PFAS R&D:

ORNL has an Aquatic Ecology lab (AEL) which contains eight artificial stream beds that scientists use to study nutrient and contaminant dynamics in simulated riverine ecosystems. Water from nearby creeks flows through the streams where conditions can be modulated by researchers to better understand how contaminants are transported in waterways and transferred through food webs and to test mitigation techniques before implementing them in the field. Embedded within the AEL is the Environmental Toxicology Laboratory (ETL), which is a DOECAP- (Department of Energy Consolidated Audit Program) accredited lab dedicated to quantifying the effects of toxicants on natural systems. The ETL lab is fully staffed and equipped to conduct compliance-based and experimental toxicity tests with freshwater, marine, and terrestrial organisms. Adjacent to the ETL is the Bioindicator lab, which has microscopy, imaging, spectroscopic and flow cytometry equipment focused on assessing biological diversity, productivity and the biological, physiological, and reproductive health of organisms. This lab is equipped to support standard fisheries and aquatic organismal studies that include fish age and growth using fish scales, otoliths, or other structures. The lab also supports several field-based capabilities, such as radio-telemetry, mark-recapture, and novel methods to monitor both aquatic and terrestrial organisms. Recently acquired capabilities through this lab include environmental DNA (eDNA) and ecophysiology (e.g., respirometry). Overall, the Bioindicator lab supports the common goal of development and application of integrative methods to monitor and promote biodiversity, from genes to ecosystems. The AEL also includes Analytical Chemistry labs focused on the quantification of nutrients, contaminants, and other water chemistry parameters (e.g., chlorophyll, specific conductance, pH, dissolved oxygen). Historically, mercury and radiological isotopes have been the most important legacy contaminants on the Oak Ridge Reservation. As such, an entire lab is dedicated to the measurement of mercury and methylmercury, and gamma-emitting radioisotopes in water, sediment, and biological samples. The laboratory is also equipped to analyze nutrients (dissolved and total nitrogen and phosphorus concentrations) in water and biological samples using an automated spectrophotometer.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

SERDP (DoD), DOE-Building Technologies Office

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

Sinche Chele et al., 2024. CRITICAL LITERATURE REVIEW OF LOW GLOBAL WARMING POTENTIAL (GWP) REFRIGERANTS AND THEIR ENVIRONMENTAL IMPACT. ORNL/TM-2023/3021

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

Michigan State University (Center for PFAS Research), UC Santa Barbara

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

In support of EPA's Superfund office, I assemble and curate databases of PFAS toxicity and chemical-specific parameters in the Risk Assessment Information System (RAIS - rais.ornl.gov). These parameters are used to calculate human health risk-based screening levels for air, water, soil, and biota for Superfund and DOE's Oak Ridge Reservation.

List site capabilities that are being or could be applied to PFAS R&D:

The RAIS database I maintain at ORNL is a comprehensive source of all PFAS toxicity and chemical parameter information used by the EPA for human health risk assessment.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

DOE and EPA

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

none

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

No

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

Current work is focused on evaluating the ecological and human health risks associated with the presence of PFAS in aquatic environments. One study is investigating the extent, pathways and rates by which PFAS are taken up by aquatic organisms and transferred through stream food webs. We are using a multiscale experimental approach that bridges system complexity from controlled microcosms investigating geochemical effects on PFAS uptake to lower trophic level organisms, to controlled macrocosms evaluating PFAS transfer to lower and higher trophic level organisms, to a field study assessing PFAS bioaccumulation and biomagnification across all trophic levels of several headwater streams exposed to AFFF. A second study is determining bioaccumulation factors in freshwater and marine fish species at sites across the state of New Jersey and evaluating controls on PFAS partitioning between water and the fish tissue. Collectively, these study results support the quantitative prediction and assessment of the risks of PFAS to aquatic wildlife and humans as well as regulatory efforts by providing bioaccumulation factors and relative exposure mechanisms for fishes that may be consumed by humans.?

List site capabilities that are being or could be applied to PFAS R&D:

Field equipment for monitoring and sampling surface and groundwater and associated ecosystems.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

SERDP; New Jersey Dept. of Environmental Protection (state agency)

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

doi.org/10.1016/j.scitotenv.2022.153561; doi.org/10.1016/j.scitotenv.2022.161208; doi.org/10.1016/j.envpol.2023.121938; doi.org/10.1016/j.mex.2023.102290

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

Yes

If yes, please name the potential collaboration:

Various academic partners, including at Temple University and Drexel University.

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

Dr. Yu's group developed sensitive PFAS detection methods using mass spectral imaging. The analytical methods can be coupled with microreactors and 2D benchtop flow reactors to determine PFAS transport and distribution in amendament. The microscale testing can be used in PFAS toxicity studies.

List site capabilities that are being or could be applied to PFAS R&D:

Sensitive time-of-flight secondary ion mass spectrometry (ToF-SIMS) analysis of PFAS Microscale reactors for studying PFAS transformation Benchscale reactors for studying PFAS transport and degradation in capture/separation media

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

N/A

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

Xiao-Ying Yu, Cuiyun Yang, Jun Gao, Zhong (John) Xiong, Xiao Sui, Lirong Zhong, Yuchen Zhang, and Jiyoung Son, Molecular detection of per- and polyfluoroalkyl substances in water using time-of-flight secondary ion mass spectrometry, Frontiers in Chemistry, Analytical Chemistry, special issue “Chemical Sensing and Emerging Analysis of Environmental Contaminants”, 2023, 11, 1-12. DOI: 10.3389/fchem.2023.1253685

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

Yes

If yes, please name the potential collaboration:

Use the DOD SERDP proposal process to collaborate with DOD PIs

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

Although there are many unknowns about PFAS chemicals, degradation pathways, reaction rates, etc., many different sorption, oxidation, reduction, biological, and innovative treatment approaches are being developed. Sorption with activated carbon is currently the only fully available in situ treatment technology for PFAS-impacted groundwater. Given the wide array of PFAS chemicals and transformation products, remediation may need multi-step treatment trains to fully address the PFAS contamination. The work here provides kinetic reaction modules that represent an initial attempt at providing functionality to represent PFAS migration and reaction in groundwater aquifer flow and transport models. One reaction kinetics module provides a method to model kinetically limited adsorption using a mass transfer model. The second reaction module represents biological transformation of 8:2 FTOH and daughter species, illustrating how a complex reaction pathway network can be represented. Both reaction modules allow for spatially variable parameter values so that a variety of remediation approaches (e.g., a PRB or volumetric treatment or variations in geochemical conditions) can be simulated. The intent with these PFAS reaction modules is to provide tools for practitioners to aid in the selection, design, and assessment of potential in situ PFAS remediation strategies. It is anticipated that, as PFAS remediation technologies and scientific understanding advances, these modules would be refined or replaced to match new knowledge.

List site capabilities that are being or could be applied to PFAS R&D:

Reactive transport modeling

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

DOE-EM

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

Johnson, C.D., C.E. Bagwell, and R.L. Bence. 2023. Development of Scalable Reactive Transport Framework for PFAS. PNNL-35136, Pacific Northwest National Laboratory, Richland, Washington. https://www.pnnl.gov/main/publications/external/technical_reports/PNNL-35136.pdf

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

Yes

If yes, please name the potential collaboration:

We would be happy to work with others to develop reaction kinetics modules for PFAS remediation.

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

Investigating the application of geophysical technologies for rapid, non-invasive characterization and assessment of AFFF source zone. Focusing on an electrical sensing technology (spectral induced polarization) for resolving variations in AFFF (and soil PFAS) concentrations across source zones. Performing bench-top research to determine the sensitivity of the method to specific AFFF constituents and PFAS compounds. Performing field-scale measurements at multiple Air Force bases with well-characterized source zones.

List site capabilities that are being or could be applied to PFAS R&D:

Not applicable

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

Other Federal: SERDP (DOD) - via Joint Appointment at Rutgers University Other Federal: AFCEC (Air Force) - via Joint Appointment at Rutgers University Other Federal: EPA (direct to PNNL)

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

Falzone, S., Schaefer, C., Siegenthaler, E., Keating, K., Werkema, D. and Slater, L.D., 2024. Geophysical signatures of soil AFFF contamination from spectral induced polarization and low field nuclear magnetic resonance methods. Journal of Contaminant Hydrology, 260, p.104268.

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

Rutgers University (I hold a Joint Appointment); CDM Smith

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

Developing advanced engineered nanoporous materials and systems for selective capture/separation, sensor/detection and destruction of per and polyfluoro alkyl substances (PFAS). Fundamental understanding of C-F towards developing advanced capture media including, MOFs, COFs, zeolites, mesoporous silica, hierarchical porous carbon materials and their composites. Development of advanced capture materials for both PFAS in water and also from air. The destruction of PFAS including, thermos-catalytic, photocatalysis and enzymatic catalysis. The sensor activities including redox chemistry, induced polarization and impedance spectroscopy and with detection limits in the range of parts per trillion (ppt).

List site capabilities that are being or could be applied to PFAS R&D:

Development of advanced engineered capture media (MOFs, COFs, Zeolites, mesoporous silica and Hierarchical porous carbon) Gaseous PFAS capture PFAS sensor (electrical impedance and Spectral induced polarization) PFAS destruction

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

EPA project

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

Perfluoroalkyl substances (PFAS): • US Patent 11,891,313 (2024) Fluidic impedance platform for in-situ detection and quantification of PFAS in groundwater; https://patents.google.com/patent/US11891313B2/en • US Patent 11,518,689 (2022), Composition and method for capture and degradation of PFAS; https://patents.google.com/patent/US11518689B2/en • A Review: PFAS Adsorption, Sensing, and Remediation with Engineered Nanoporous Materials, PNNL Technical Report 2022; https://www.osti.gov/biblio/1997521 • Development of Engineered Metal-Organic Framework (MOF) materials for perfluorooctane sulfonate (PFOS) Remediation, PNNL Technical Report 2023; https://doi.org/10.2172/1984699 • Metal-Organic Framework Based Microfluidic Impedance Sensor Platform for Ultrasensitive Detection of Perfluorooctanesulfonate, ACS Appl. Mater. Interfaces 2020, 12, 9, 10503-10514, https://pubs.acs.org/doi/10.1021/acsami.9b22445 • Probing the Sorption of Perfluorooctanesulfonate Using Mesoporous Metal–Organic Frameworks from Aqueous Solutions, Inorganic Chemistry 2019, 58 (13) 8339-8346; https://doi.org/10.1021/acs.inorgchem.9b00380 Fluorocarbons: • Engineered Nanoporous Frameworks for Adsorption Cooling Applications, Chem. Rev. 2024, 124, 12, 7619–7673; https://pubs.acs.org/doi/full/10.1021/acs.chemrev.3c00450# • Pore Topology and Chemistry to Promote Fluorocarbon- Based Adsorption Cooling, Accounts of Chemical Research, 2022, 55, 5, 649-659 (invited article) https://pubs.acs.org/doi/abs/10.1021/acs.accounts.1c00615 • Porous Covalent Organic Polymers for Efficient Fluorocarbon-Based Adsorption Cooling, Angewandte Chemie international edition, 2021, Vol.60(33), p.18037-18043; https://onlinelibrary.wiley.com/doi/full/10.1002/anie.202102337 • Structure-Property Correlation of Hierarchically Porous Carbons for Fluorocarbon Adsorption, ACS Applied Materials & Interphases, 2021, 13, 45, 54266–54273; https://pubs.acs.org/doi/abs/10.1021/acsami.1c16315 • Molecular Insight into Fluorocarbon Uptake on Pore-Engineered Metal-Organic Frameworks for Adsorption Cooling, Journal of the American Chemical Society (JACS), 2020, 2020, 142, 6, 3002-3012 https://pubs.acs.org/doi/10.1021/jacs.9b11963 • Exceptional Fluorocarbon Uptake with Mesoporous Metal–Organic Frameworks for Adsorption-Based Cooling Systems, ACS Applied Energy Materials, 2018, 1 (11), pp 5853–5858, DOI: 10.1021/acsaem.8b01282; https://pubs.acs.org/doi/abs/10.1021/acsaem.8b01282 • Pore-engineering of metal-organic frameworks for adsorption cooling applications, Journal of the American Chemical Society (JACS) 2017, 139 (31), 10601-10604, DOI: 10.1021/jacs.7b04872, https://pubs.acs.org/doi/abs/10.1021/jacs.7b04872

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

PFAS sensor (Electrical impedance): collaboration with NJIT PFAS sensor (Spectral induced polarization): Rutgers University PFAS Capture: EPA and some industry for testing

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

The primary objectives of our PFAS work are to: (1) investigate and improve low temperature thermal treatment approaches for per- and polyfluoroalkyl substances (PFAS), and (2) develop and expand infrared (IR) spectroscopy approaches for quantifying the performance of thermal treatment with respect to off-gas characterization. This work will account for the fate of fluorine species including hydrogen fluoride (HF) and volatile organic fluorine species (VOF), and evaluate treatment additives that may improve low temperature thermal treatment. A key effort of the PNNL research has been to develop an IR spectral library of gas-phase VOF to assist with examining the thermal decomposition of PFAS. Key compounds have been measured, and more are currently in the queue. The data have been posted on a public site and represent some of the first high quality spectra collected for several of these compounds. Several new spectra have been recorded and, in combination with some very powerful chemometric algorithms have been used to disentangle the confounding spectra that result upon decomposition of PFOS; the library and software were used to identify nine key compounds formed during the low-T decomposition of the parent species.

List site capabilities that are being or could be applied to PFAS R&D:

PNNL and Hanford have previous experience and capabilities in gas-phase monitoring, e.g. from tank waste. PNNL also has very extensive capabilities in both analytical chemistry and data exploitation that lend themselves well to PFAS R&D.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

SERDP

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

1. Kendall D. Hughey et al., "PFAS Remediation: Evaluating the Infrared Spectra of Complex Gaseous Mixtures to Determine the Efficacy of Thermal Decomposition of PFOS." Chemosphere. 2. Tracy Baker et al., "An infrared spectral database for gas-phase quantitation of volatile per- and polyfluoroalkyl substances (PFAS). Journal of Quantitative Spectroscopy & Radiative Transfer 295 (2023) 108420

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

APTIM research.

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

As a part of the Princeton Collaborative Research Facility (PCRF) in Low Temperature Plasma in collaboration with visiting researchers, PPPL investigated the plasma-liquid interactions relevant to PFAS (PFOA) decomposition. The projects partially conducted at PPPL investigated the effect of plasma parameters and applied pulse shape, repetition rate, and power on the production of OH radicals and mineralization of PFOA; the effect of liquid conductivity, and PFOA concentration on plasma-liquid contact area to improve the treatment performance of gas-liquid electrical discharge plasma reactors. Optical emission spectroscopy was used to determine plasma density and fast imaging was used to study the effect of gas bubbles and water conductivity on discharge propagation. Higher solution conductivity closer approximates realistic contaminated water.

List site capabilities that are being or could be applied to PFAS R&D:

PPPL capabilities include plasma sources such as RF, pulsed, AC (kHz) and DC plasma sources applicable to PFAS decomposition in gas and liquid phase. PPPL has extensive plasma diagnostic capabilities with spatial and time resolution, such as ns laser induced fluorescence and scattering techniques, optical emission and absorption, sub ns frame imaging, and probe diagnostics. These methods can be used to determine plasma parameters, concentrations of metastable species, short lived radical, molecular composition of liquids and gases. PPPL has advanced theoretical and computational capabilities in support of the experimental effort.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

DOE through PCRF

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

https://doi.org/10.1116/6.0001992

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

Universities through PCRF

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

Absorbent development for PFAS capture/preconcentration for analytical quantification.

List site capabilities that are being or could be applied to PFAS R&D:

Extensive analytical capabilities, including LCMS, nano-LCMS, MALDI-TOFMS, and more.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

DOE

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

N/A

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

No

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

1. Development of novel sorbents for PFAS remediation of ground water and process waters. 2. Development of sorbent-catalysts to facilitate advanced oxidation of PFAS compounds. 3. Development of novel preconcentration methods to facilitate PFAS detection in the parts per quadrillion range.

List site capabilities that are being or could be applied to PFAS R&D:

HPLC-MS/MS

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

Lab directed research and development (LDRD) and other internal funding sources from Sandia National Laboratories.

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

Currently all reports are SNL proprietary.

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

New Mexico State University, Arizona Laboratory for Emerging Contaminants (ALEC), and private companies protected under NDA,

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

Developing rapid and trace analytical approaches for PFAS with mass spectrometry. Non-thermal degradation processes.

List site capabilities that are being or could be applied to PFAS R&D:

Sandia's Analytical Science Labs.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

DOE, internal funding mechanisms, and private

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

Presently we do not have any PFAS-related publications approved for public release

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

Yes

If yes, please name the potential collaboration:

Private industry, other DOE labs

Have you sought funding from SERDP?

True

Synopsis of PFAS work currently performed:

My PFAS work focuses on innovative sampling, detection, and quantification methods for ionic and neutral PFAS. We also have a recently submitted LDRD proposal which focuses on the transport of PFAS in environments with sea spray.

List site capabilities that are being or could be applied to PFAS R&D:

Various groups on site have begun to look at improved PFAS detection technologies, technologies for trapping PFAS in the natural environment, and microbial impacts on PFAS fate and transport.

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

Laboratory LDRD funding – project completed last fiscal year

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

No

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

Microbial communities have the potential to effect PFAS immobilization in the environment by transforming organic matter which may bind PFAS compounds as well as by adsorption of PFAS compounds to microbial biomass ((Dai, Yan, & Brusseau, 2023; Fitzgerald et al., 2018)). At SRS, concerns about the presence of PFAS persistence in the environment are centered on D-area. Legacy firefighting activities that employed aqueous firefighting foams resulted in introduction of PFAS compounds into the soil in D-area. The primary PFAS compound in this PFAS plume is PFNA, although other PFAS compounds are present as well (Table Y.). Microbial communities in the D-area PFAS plume may have the ability to effect the immobilization of PFAS either by transformation of PFAS compounds or by effecting adsorption of PFAS to organic material or microbial cell mass. The interactions of microbes from PFAS impacted groundwater were assessed for PFAS degradation potential.

List site capabilities that are being or could be applied to PFAS R&D:

Proprietary microbial communities F testing

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

DOE CTO

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

N/A

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

No

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

We are just beginning to explore how SLAC's X-ray and electron sources can be used to detect PFAS in solution and understand PFAS chemistry and transformations.

List site capabilities that are being or could be applied to PFAS R&D:

The principal capability we have is the ability to detect trace amounts of F, S, P, and other elements and monitor their chemical state (speciation).

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

DOE-BES

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

..

Is this a collaboration between the DOE lab and another institution?

No

If no, is there an opportunity for a collaboration?

Yes

If yes, please name the potential collaboration:

Stanford University. Other DOE national labs.

Have you sought funding from SERDP?

False

Synopsis of PFAS work currently performed:

exploring the treatment of PFAS utilizing high-power electron beam technology development of compact, conduction-cooled SRF accelerators for this purpose (C3SRF)

List site capabilities that are being or could be applied to PFAS R&D:

Electron beam irradiation setup for wastewater (currently under construction) Collaboration with Florida International University with regard to their chemical characterization capabilities

Source of funding for current PFAS R&D ( i.e. DOE, Overhead, other Federal Agency, Private, Academia). If other Federal, please identify the agency:

DOE -- ARDAP Stewardship(s), ACCELERATE; NNSA

Cite Publications (PFAS-related) that you agree to reference in the final report: (can list DOI)

doi: 10.2166/wst.2022.407 doi: 10.1016/j.nima.2022.167093

Is this a collaboration between the DOE lab and another institution?

Yes

If yes, please name the collaborative institutions:

Jefferson Lab, Fermilab, Florida International University

Have you sought funding from SERDP?

False