• A Review of PFAS Transport Mechanisms and Numerical Modeling in Unsaturated and Saturated Zones

  • Taehoon Kim*, Seunghak Lee, Jaeshik Chung, and Sanghyun Kim

  • Center for Water Cycle Research, Korea Institute of Science and Technology, Seoul, Republic of Korea

  • 불포화대 및 포화대 내PFAS 수송 기작 및 수치 모델링 연구 동향 리뷰

  • 김태훈*ㆍ이승학ㆍ정재식ㆍ김상현

  • 한국과학기술연구원 물자원순환연구단

  • This article is an open access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/4.0) which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.

References
  • 1. AECOM, 2020. Review of available software for PFAS modeling within the vadose zone, AECOM, Grand Rapids, MI.
  •  
  • 2. Ankley, G.T. et al., 2021. Assessing the ecological risks of per‐and polyfluoroalkyl substances: Current state‐of‐the science and a proposed path forward. Environmental Toxicology and Chemistry, 40(3), 564-605.
  •  
  • 3. Arshadi, M. et al., 2024. Modeling 1-D aqueous film forming foam transport through the vadose zone under realistic site and release conditions. Sci. Total Environ., 919, 170566. DOI: https://doi.org/10.1016/j.scitotenv.2024.170566
  •  
  • 4. Bhhatarai, B., and Gramatica, P., 2011. Prediction of aqueous solubility, vapor pressure and critical micelle concentration for aquatic partitioning of perfluorinated chemicals. Environ. Sci. Technol., 45(19), 8120-8128. DOI: 10.1021/es101181g
  •  
  • 5. Brusseau, M.L., 2020. Simulating PFAS transport influenced by rate-limited multi-process retention. Water Res., 168, 115179. DOI: https://doi.org/10.1016/j.watres.2019.115179
  •  
  • 6. Brusseau, M.L., Guo, B., 2021. Air-water interfacial areas relevant for transport of per and poly-fluoroalkyl substances. Water Res., 207, 117785. DOI: https://doi.org/10.1016/j.watres.2021. 117785
  •  
  • 7. Brusseau, M.L., Guo, B., Huang, D., Yan, N., and Lyu, Y., 2021. Ideal versus nonideal transport of PFAS in unsaturated porous Media. Water Res., 202, 117405. DOI: 10.1016/j.watres.2021.117405
  •  
  • 8. Brusseau, M.L. et al., 2019a. Nonideal transport and extended elution tailing of PFOS in soil. Environ. Sci. Technol., 53(18), 10654-10664. DOI: 10.1021/acs.est.9b02343
  •  
  • 9. Brusseau, M.L., and Van Glubt, S., 2019. The influence of surfactant and solution composition on PFAS adsorption at fluid-fluid interfaces. Water Res., 161, 17-26. DOI: 10.1016/j.watres. 2019.05.095
  •  
  • 10. Brusseau, M.L. et al., 2019b. Comprehensive retention model for PFAS transport in subsurface systems. Water Res., 148, 41-50. DOI: https://doi.org/10.1016/j.watres.2018.10.035
  •  
  • 11. Cameron, D., and Klute, A., 1977. Convective‐dispersive solute transport with a combined equilibrium and kinetic adsorption model. Water Resour. Res., 13(1), 183-188.
  •  
  • 12. Carey, G.R. et al., 2025. Modeling the influence of coastal site characteristics on PFAS in situ remediation. Groundwater, 63(2), 175-191. DOI: https://doi.org/10.1111/gwat.13456
  •  
  • 13. 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 Resour. Res., 59(8), e2023WR034664. DOI: https://doi.org/10.1029/2023WR034664
  •  
  • 14. Cho, N., 2025. 과불화화합물(PFAS) 규제 동향 및 대응전략, KISTEP 성장동력사업센터.
  •  
  • 15. ECCC, 2025. State of Per- and polyfluoroalkyl substances (PFAS) report. Environment and Climate Change Canada, QC, Canada.
  •  
  • 16. Farhat, S.K., Newell, C.J., Lee, S.A., Looney, B.B., and Falta, R.W., 2022. Impact of matrix diffusion on the migration of groundwater plumes for Perfluoroalkyl acids (PFAAs) and other non-degradable compounds. J. Contam. Hydrol., 247, 103987. DOI: https://doi.org/10.1016/j.jconhyd.2022.103987
  •  
  • 17. Fenton, S.E. et al., 2021. Per‐and polyfluoroalkyl substance toxicity and human health review: Current state of knowledge and strategies for informing future research. Environmental Toxicology and Chemistry, 40(3), 606-630.
  •  
  • 18. Garza-Rubalcava, U., Klevan, C., Pennell, K.D., and Abriola, L.M., 2025. Transport and competitive interfacial adsorption of PFOA and PFOS in unsaturated porous media: Experiments and modeling. Water Res., 268, 122728. DOI: https://doi.org/10.1016/j.watres.2024.122728
  •  
  • 19. Gassmann, M., 2021. Modelling the fate of pesticide transformation products from plot to catchment scale—state of knowledge and future challenges. Front. Environ. Sci., 9. DOI: 10.3389/fenvs.2021.717738
  •  
  • 20. Guo, B., and Brusseau, M.L., 2024. Challenges and opportunities for porous media research to address PFAS groundwater contamination. InterPore J., 1(2), ipj240824-2. DOI: 10.69631/ipj.v1i2nr35
  •  
  • 21. Guo, B., Saleem, H., and Brusseau, M.L., 2023. Predicting interfacial tension and adsorption at fluid–fluid interfaces for mixtures of PFAS and/or hydrocarbon surfactants. Environ. Sci. Technol., 57(21), 8044-8052. DOI: 10.1021/acs.est.2c08601
  •  
  • 22. Guo, B., Zeng, J., and Brusseau, M.L., 2020. A mathematical model for the release, transport, and retention of Per- and polyfluoroalkyl substances (PFAS) in the Vadose Zone. Water Resour. Res., 56(2), e2019WR026667. DOI: https://doi.org/10.1029/2019WR026667
  •  
  • 23. HEPA, 2025. PFAS national environmental management Plan Version 3.0. department of climate Change, Energy, the Environment and Water, Canberra, ACT, Australia.
  •  
  • 24. Higgins, C.P., and Luthy, R.G., 2006. Sorption of Perfluorinated Surfactants on Sediments. Environ. Sci. Technol., 40(23), 7251-7256. DOI:10.1021/es061000n
  •  
  • 25. Hort, H.M., Stockwell, E.B., Newell, C.J., Scalia, J., and Panday, S., 2024. Modeling and evaluation of PFOS retention in the unsaturated zone above the water table. Groundw. Monit. Remediat., 44(3), 38-48. DOI:10.1111/gwmr.12662
  •  
  • 26. Huang, D., Saleem, H., Guo, B., and Brusseau, M.L., 2022. The impact of multiple-component PFAS solutions on fluid-fluid interfacial adsorption and transport of PFOS in unsaturated porous media. Sci. Total Environ., 806, 150595. DOI: https://doi.org/10.1016/j.scitotenv.2021.150595
  •  
  • 27. Kolade, S.O. et al., 2026. Multi-compound PFAS transport in the unsaturated zone during infiltration cycles. Water Res., 288, 124463. DOI: https://doi.org/10.1016/j.watres.2025.124463
  •  
  • 28. Kulkarni, P.R., Adamson, D.T., Popovic, J., and Newell, C.J., 2022. Modeling a well-characterized perfluorooctane sulfonate (PFOS) source and plume using the REMChlor-MD model to account for matrix diffusion. J. Contam. Hydrol., 247, 103986. DOI: https://doi.org/10.1016/j.jconhyd.2022.103986
  •  
  • 29. Lagergren, S., 1898. About the theory of so-called adsorption of soluble substances.
  •  
  • 30. Lee, I.J., Yoon, W.H., Jeong, G., and Cho, S.-J., 2024. Distribution and risk assessment of perfluoroalkyl and polyfluoroalkyl substances (PFAS) in the South Han River. J. Environ. Anal. Health Toxicol., 27(1), 29-38.
  •  
  • 31. Li, H. et al., 2023. Transport behavior difference and transport model of long- and short-chain per- and polyfluoroalkyl substances in underground environmental media: A review. Environ. Pollut., 327, 121579. DOI: 10.1016/j.envpol.2023.121579
  •  
  • 32. Liao, S. et al., 2025. Simulating PFAS transport in effluent-irrigated farmland using PRZM5, LEACHM, and HYDRUS-1D models. J. Environ. Qual., 54(1), 54-65. DOI: https://doi.org/10.1002/jeq2.20639
  •  
  • 33. Lyu, X. et al., 2022. Per‐ and polyfluoroalkyl substances (PFAS) in subsurface environments: Occurrence, fate, transport, and research prospect. Rev. Geophys., 60(3). DOI: 10.1029/2021rg000765
  •  
  • 34. Lyu, Y. et al., 2018. Adsorption of PFOA at the Air-Water interface during transport in unsaturated porous Media. Environ. Sci. Technol., 52(14), 7745-7753. DOI: 10.1021/acs.est.8b02348
  •  
  • 35. Mahinroosta, R., and Senevirathna, L., 2021. The effectiveness of PFAS management options on groundwater quality in contaminated land using numerical modelling. Chemosphere, 279, 130528. DOI: https://doi.org/10.1016/j.chemosphere.2021.130528
  •  
  • 36. Mahinroosta, R., Senevirathna, L., Li, M., and KrishnaPillai, K., 2021. A methodology for transport modelling of a contaminated site with perfluorooctane sulfonate due to climate interaction. Process Saf. Environ. Prot., 147, 642-653. DOI: https://doi.org/10.1016/j.psep.2020.12.034
  •  
  • 37. Martínez-Balbuena, L., Arteaga-Jiménez, A., Hernández-Zapata, E., and Márquez-Beltrán, C., 2017. Applicability of the Gibbs Adsorption Isotherm to the analysis of experimental surface-tension data for ionic and nonionic surfactants. Adv. Colloid Interface Sci., 247, 178-184. DOI: https://doi.org/10.1016/j.cis.2017.07.018
  •  
  • 38. McFarlan, E.L., and Lemke, L.D., 2024. Per- and polyfluoroalkyl substances (PFAS) fate and transport across a groundwater-surface water interface. Sci. Total Environ., 951, 175672. DOI: https://doi.org/10.1016/j.scitotenv.2024.175672
  •  
  • 39. McGarr, J.T. et al., 2024. Fate and transport of perfluorooctane sulfonic acid (PFOS) within heterogenous riparian floodplains. Sci. Total Environ., 957, 177496. DOI: https://doi.org/10.1016/j.scitotenv.2024.177496
  •  
  • 40. Ozbek, M., Voorhies, N., Howard, L., Swanson, R., and Fox, T., 2024. Delineation of a PFOA plume and assessment of data gaps in its conceptual model using PlumeSeekerTM. Groundwater, 62(1), 44-59. DOI: https://doi.org/10.1111/gwat.13373
  •  
  • 41. Park, S. et al., 2025. A study on domestic and international management trends and treatment methods of PFAS in groundwater. J. Soil Groundw. Environ., 30(3), 1-13.
  •  
  • 42. Pemberton, E., 2021. Poly- and perfluoroalkyl substances (PFAS): sources, pathways and environmental data, Environment Agency, Bristol, UK.
  •  
  • 43. Rafiei, V., and Nejadhashemi, A.P., 2023. Watershed scale PFAS fate and transport model for source identification and management implications. Water Res., 240, 120073. DOI: https://doi.org/10.1016/j.watres.2023.120073
  •  
  • 44. Schaefer, C.E., Drennan, D., Nickerson, A., Maizel, A., and Higgins, C.P., 2021. Diffusion of perfluoroalkyl acids through clay-rich soil. J. Contam. Hydrol., 241, 103814. DOI: https://doi.org/10.1016/j.jconhyd.2021.103814
  •  
  • 45. Sharma, N. et al., 2024. A comprehensive review on the need for integrated strategies and process modifications for per- and polyfluoroalkyl substances (PFAS) removal: Current insights and future prospects. Case Stud. Chem. Environ. Eng., 9. DOI: 10.1016/j.cscee.2024.100623
  •  
  • 46. Silva, J.A.K., Guelfo, J.L., Šimůnek, J., and McCray, J.E., 2022. Simulated leaching of PFAS from land-applied municipal biosolids at agricultural sites. J. Contam. Hydrol., 251, 104089. DOI: https://doi.org/10.1016/j.jconhyd.2022.104089
  •  
  • 47. Silva, J.A.K., Martin, W.A., and McCray, J.E., 2021. Air-water interfacial adsorption coefficients for PFAS when present as a multi-component mixture. J. Contam. Hydrol., 236, 103731. DOI: 10.1016/j.jconhyd.2020.103731
  •  
  • 48. Silva, J.A.K., Šimůnek, J., and McCray, J.E., 2020. A modified HYDRUS model for simulating PFAS transport in the vadose zone. Water, 12(10), 2758.
  •  
  • 49. Sima, M.W., and Jaffe, P.R., 2021. A critical review of modeling Poly- and Perfluoroalkyl Substances (PFAS) in the soil-water environment. Sci. Total Environ., 757, 143793. DOI: 10.1016/j.scitotenv.2020.143793
  •  
  • 50. Šimůnek, J., Brunetti, G., Jacques, D., van Genuchten, M.T., and Šejna, M., 2024. Developments and applications of the HYDRUS computer software packages since 2016. Vadose Zone J., 23(4), e20310. DOI: https://doi.org/10.1002/vzj2.20310
  •  
  • 51. Sookhak Lari, K. et al., 2024. The dynamics of Per- and Polyfluoroalkyl Substances (PFAS) at interfaces in porous Media: A Computational Roadmap from Nanoscale Molecular Dynamics Simulation to Macroscale Modeling. ACS Omega, 9(5), 5193-5202. DOI: 10.1021/acsomega.3c09201
  •  
  • 52. Stults, J.F. et al., 2024. Air-water interfacial collapse and rate-limited solid desorption control Perfluoroalkyl acid leaching from the vadose zone. J. Contam. Hydrol., 265, 104382. DOI: https://doi.org/10.1016/j.jconhyd.2024.104382
  •  
  • 53. U.S. DoD, 2022. Summary report: Strategic workshop on management of PFAS in the environment. strategic environmental research and development program (SERDP) / Environmental Security Technology Certification Program (ESTCP), Arlington, VA.
  •  
  • 54. U.S. EPA, 2024. EPA's PFAS Strategic roadmap: Three years of progress. U.S. Environmental Protection Agency (EPA), Washington, DC, pp. 16.
  •  
  • 55. US EPA, 2024. EPA's PFAS Strategic roadmap: Three years of progress. In: Agency, U.S.E.P. (Ed.). US EPA.
  •  
  • 56. Vahedian, F., Silva, J.A.K., Šimůnek, J., and McCray, J.E., 2024. Influence of kinetic air-water interfacial partitioning on unsaturated transport of PFAS in sandy soils. Sci. Total Environ., 957, 177420. DOI: https://doi.org/10.1016/j.scitotenv.2024.177420
  •  
  • 57. Wallis, I. et al., 2022. Model-based identification of vadose zone controls on PFAS mobility under semi-arid climate conditions. Water Res., 225, 119096. DOI: https://doi.org/10.1016/j.watres.2022. 119096
  •  
  • 58. Wu, R., Li, X., Sun, Y., Szymczak, P., and Jiao, W., 2023. Second-order accurate implicit finite volume method for two-dimensional modeling of PFAS transport in unsaturated porous media with variable surface tension. Adv. Water Resour., 178, 104490. DOI: https://doi.org/10.1016/j.advwatres.2023.104490
  •  
  • 59. Xing, Y. et al., 2021. Different transport behaviors and mechanisms of perfluorooctanoate (PFOA) and perfluorooctane sulfonate (PFOS) in saturated porous media. J. Hazard. Mater., 402, 123435. DOI:10.1016/j.jhazmat.2020.123435
  •  
  • 60. Zeng, J., Brusseau, M.L., and Guo, B., 2021. Model validation and analyses of parameter sensitivity and uncertainty for modeling long-term retention and leaching of PFAS in the vadose zone. J. Hydrol., 603, 127172. DOI: https://doi.org/10.1016/j.jhydrol.2021.127172
  •  
  • 61. Zeng, J., Brusseau, M.L., and Guo, B., 2024. Modeling PFAS subsurface transport in the presence of groundwater table fluctuations: The impact on source-zone leaching and exploration of model simplifications. Water Resour. Res., 60(11), e2024WR037707. DOI: https://doi.org/10.1029/2024WR037707
  •  
  • 62. Zeng, J., and Guo, B., 2021. Multidimensional simulation of PFAS transport and leaching in the vadose zone: Impact of surfactant-induced flow and subsurface heterogeneities. Adv. Water Resour., 155, 104015. DOI: https://doi.org/10.1016/j.advwatres.2021. 104015
  •  
  • 63. Zhang, W., and Guo, B., 2024. Anomalous adsorption of PFAS at the Thin-Water-Film Air-Water Interface in Water-Unsaturated Porous Media. Water Resour. Res., 60(3), e2023WR035775. DOI: https://doi.org/10.1029/2023WR035775
  •  
  • 64. Zhou, D. et al., 2021. Simulating PFAS adsorption kinetics, adsorption isotherms, and nonideal transport in saturated soil with tempered one-sided stable density (TOSD) based models. J. Hazard. Mater., 411, 125169. DOI: https://doi.org/10.1016/j.jhazmat.2021.125169
  •  

This Article

  • 2026; 31(1): 1-17

    Published on Feb 28, 2026

  • 10.7857/JSGE.2026.31.1.01
  • Received on Dec 18, 2025
  • Revised on Jan 19, 2026
  • Accepted on Feb 9, 2026

Correspondence to

  • Taehoon Kim

  • Center for Water Cycle Research, Korea Institute of Science and Technology, Seoul, Republic of Korea

  • E-mail: kth6379@kist.re.kr