This readme.txt file was generated 20250327 by M. Simcik and edited by data curator 20250410 Recommended citation for the data: Simcik, M., Longo, W., & Arnold, W. (2025). Data for In Situ Sequestration of Per- and Polyfluoroalkyl Substances in Aquifer Materials Using Polydiallyldimethyl Ammonium Chloride-Stabilized Powdered Activated Carbon [Data set]. Data Repository for the University of Minnesota (DRUM). https://doi.org/10.13020/GP0X-5A22 ------------------- GENERAL INFORMATION ------------------- 1. Title of Dataset Data for In Situ Sequestration of Per- and Polyfluoroalkyl Substances in Aquifer Materials Using Polydiallyldimethyl Ammonium Chloride-Stabilized Powdered Activated Carbon 2. Author Information Principal Investigator Contact Information Name: Matt F. Simcik Institution: University of Minnesota Address: School of Public Health, University of Minnesota, Minneapolis, Minnesota 55455, United States Email: msimcik@umn.edu ORCID: 0000-0001-9421-4023 Associate or Co-investigator Contact Information Name: William A. Arnold Institution: University of Minnesota Address: Department of Civil, Environmental and Geo- Engineering, University of Minnesota, Minneapolis, Minnesota 55455, United States Email: arnol032@umn.edu ORCID: 0000-0003-0814-5469 Associate or Co-investigator Contact Information Name: William M. Longo Institution: University of Minnesota Address: School of Public Health, University of Minnesota, Minneapolis, Minnesota 55455, United States Email: longo044@umn.edu ORCID: 0000-0002-4434-8266 3. Date published or finalized for release: March 27, 2025 4. Date of data collection (single date, range, approximate date) 20210101 to 20220801 5. Geographic location of data collection (where was data collected?): Minneapolis, MN, USA 6. Information about funding sources that supported the collection of the data: This research was funded by the U.S. Department of Defense's Environmental Security Technology Certification Program (ESTCP; ER20-5100) and the Navy Environmental Sustainability Development to Integration Program (NESDI). 7. Overview of the data (abstract): The widespread use of aqueous film-forming foams (AFFF) for firefighting and fire fighter training activities has led to groundwater contamination with per- and polyfluoroalkyl substances (PFAS). PFAS can be effectively sorbed onto powdered activated carbon (PAC) and the aqueous cationic polymer, polydiallyldimethyl ammonium chloride (PDM). These sorbents form a stable suspension (S-PAC) that can be injected into the subsurface to create a permeable adsorptive barrier (PAB), providing the basis for field-scale in situ PFAS sequestration. A series of bench-scale one-dimensional column experiments were performed to assess the transport and sorption of PFAS in aquifer materials from two field sites with PFAS-contaminated groundwater. Experiments included testing the effect of pre-treatment with PDM and sequential injections of individual PFAS and mixtures. In all experiments, S-PAC enhanced PFAS sorption on site media from > 2-fold (e.g. perfluorohexanoic acid) to > 100-fold (e.g. perfluorooctance sulfonic acid) depending on headgroup, chain length, and influent concentration. Pretreatment of influent with PDM alone increased total PFAS sorption for compounds with sulfonic acid and sulfonamido headgroups by up to ~2-fold relative to S-PAC treatment without PDM pretreatment. Results also demonstrated competition for sorption sites with long-chain PFAS displacing shorter chain length PFAS from the S-PAC, an effect that can potentially be addressed by expanding the treatment zone. S-PAC is a viable treatment for in situ sequestration of PFAS and upstream injection of PDM may enhance removal. Competitive displacement by more strongly sorbed PFAS should be a design consideration when implementing this technology in the field. -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/ 2. Links to publications that cite or use the data: Article Title: In Situ Sequestration of Per- and Polyfluoroalkyl Substances in Aquifer Materials Using Polydiallyldimethyl Ammonium Chloride-Stabilized Powdered Activated Carbon ***Article accepted with minor revision at Environmental Science: Water Research & Technology. Link can be provided after publication.*** 3. Was data derived from another source? N/A 4. Terms of Use: Data Repository for the U of Minnesota (DRUM) By using these files, users agree to the Terms of Use. https://conservancy.umn.edu/pages/policies/#drum-terms-of-use Agree --------------------- DATA & FILE OVERVIEW --------------------- 1. File List A. Filename: AFB-Control.csv Short description: Column effluent and breakthrough data for the AFB-Control experiment. B. Filename: AFB-PDM+SPAC.csv Short description: Column effluent and breakthrough data for the AFB-PDM+SPAC experiment. C. Filename: AFB-SPAC(seq).csv Short description: Column effluent and breakthrough data for the AFB-SPAC(seq) experiment. D. Filename: AFB-SPAC.csv Short description: Column effluent and breakthrough data for the AFB-SPAC experiment. E. Filename: Influents.csv Short description: PFAS concentration data for the influents used in all column experiments. F. Filename: NAS-Control.csv Short description: Column effluent and breakthrough data for the NAS-Control experiment. G. Filename: NAS-SPAC.csv Short description: Column effluent and breakthrough data for the NAS-SPAC experiment. H. Filename: TOC.csv Short description: Percent Total Organic Carbon data for site soils and all column experiments. 2. Relationship between files: These files provide the basis for all figures and tables in the manuscript referenced above: In Situ Sequestration of Per- and Polyfluoroalkyl Substances in Aquifer Materials Using Polydiallyldimethyl Ammonium Chloride-Stabilized Powdered Activated Carbon -------------------------- METHODOLOGICAL INFORMATION -------------------------- 1. Description of methods used for collection/generation of data: Aquifer materials were collected from two sites; an AFFF-impacted former Air Force base (AFB) in the northcentral United States and a Naval Air Station (NAS) on the East Coast of the United States. The aquifer materials were packed in borosilicate glass columns and used for one-dimensional PFAS transport experiments involving the untreated aquifer materials as well as aquifer materials treated with sorbents for PFAS remediation. Column effluent samples containing PFAS were collected in polystyrene test tubes and stored at 4 °C until analysis, which was undertaken within 10 days of collection. Analysis was performed using a Hewlett-Packard series 1050 HPLC paired to an AB SciEX 4000 series triple quadrupole mass spectrometer. 2. Methods for processing the data: PFAS were quantified based on characteristic fragment ions from HPLC-MS/MS analysis and their MS abundance relative to isotope labelled internal standards. 3. Instrument- or software-specific information needed to interpret the data: N/A 4. Standards and calibration information, if appropriate: Seven-point calibration curves based on the relative response of native PFAS standards to isotopically-labelled internal standards were analyzed at the beginning of each sample run and after every 24 samples. Masses were calculated based on the relative response of analytes to isotope-labelled internal standards which were determined and continuously verified with the calibration curves and check standards. 5. Environmental/experimental conditions: One-dimensional PFAS transport experiments under saturated conditions in sandy aquifer materials. 6. Describe any quality-assurance procedures performed on the data: A series of method blanks and instrument blanks were analyzed with every sample run. Limits of detection (LOD) and quantification (LOQ) for the direct injection method ranged from 0.58 – 1.45 ng/mL and 1.95 – 4.84 ng/mL, respectively 7. People involved with sample collection, processing, analysis and/or submission: Please see the author list and acknowledgements in the associated manuscript: In Situ Sequestration of Per- and Polyfluoroalkyl Substances in Aquifer Materials Using Polydiallyldimethyl Ammonium Chloride-Stabilized Powdered Activated Carbon ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: [AFB-Control.csv] ----------------------------------------- 1. Number of variables: 9 2. Number of cases/rows: 29 3. Missing data codes: NA Not Applicable ND No data and/or not measured. U Analyte was not detected. 4. Variable List A. Name: Description: B. Name: Description: C. Name: Description: D. Name: Description: E. Name: Description: F. Name: Description: G. Name: Description: H. Name: Description: I. Name: Description: ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: [AFB-PDM+SPAC.csv] ----------------------------------------- 1. Number of variables: 10 2. Number of cases/rows: 116 3. Missing data codes: NA Not Applicable ND No data and/or not measured. U Analyte was not detected. 4. Variable List A. Name: Description: B. Name: Description: C. Name: Description: D. Name: Description: E. Name: <62FTS_C_Co> Description: F. Name: Description: G. Name: Description: H. Name: Description: I. Name: Description: J. Name: Description: ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: [AFB-SPAC(seq).csv] ----------------------------------------- 1. Number of variables: 6 2. Number of cases/rows: 147 3. Missing data codes: NA Not Applicable ND No data and/or not measured. U Analyte was not detected. 4. Variable List A. Name: Description: B. Name: Description: C. Name: Description: D. Name: Description: E. Name: Description: F. Name: Description: ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: [AFB-SPAC.csv] ----------------------------------------- 1. Number of variables: 10 2. Number of cases/rows: 155 3. Missing data codes: NA Not Applicable ND No data and/or not measured. U Analyte was not detected. 4. Variable List A. Name: Description: B. Name: Description: C. Name: Description: D. Name: Description: E. Name: <62FTS_C_Co> Description: F. Name: Description: G. Name: Description: H. Name: Description: I. Name: Description: J. Name: Description: ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: [Influents.csv] ----------------------------------------- 1. Number of variables: 10 2. Number of cases/rows: 32 3. Missing data codes: NA Not Applicable ND No data and/or not measured. U Analyte was not detected. 4. Variable List A. Name: Description: B. Name: Description: C. Name: Description: D. Name: Description: E. Name: <62FTS> Description: F. Name: Description: G. Name: Description: H. Name: Description: I. Name: Description: J. Name: Description: ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: [NAS-Control.csv] ----------------------------------------- 1. Number of variables: 6 2. Number of cases/rows: 30 3. Missing data codes: NA Not Applicable ND No data and/or not measured. U Analyte was not detected. 4. Variable List A. Name: Description: B. Name: Description: C. Name: Description: D. Name: Description: E. Name: Description: F. Name: Description: ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: [NAS-SPAC.csv] ----------------------------------------- 1. Number of variables: 6 2. Number of cases/rows: 104 3. Missing data codes: NA Not Applicable ND No data and/or not measured. U Analyte was not detected. 4. Variable List A. Name: Description: B. Name: Description: C. Name: Description: D. Name: Description: E. Name: Description: F. Name: Description: ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: [TOC.csv] ----------------------------------------- 1. Number of variables: 5 2. Number of cases/rows: 18 3. Missing data codes: NA Not Applicable ND No data and/or not measured. U Analyte was not detected. 4. Variable List A. Name: Description: B. Name: Description:

C. Name: Description: D. Name: Description: E. Name: Description: