Any quantitative approach to analyzing the behavior of PFAS in treatment systems or in the environment requires knowledge of its distribution in the multiple phases present. For example, a successful treatment system should be designed such that the PFAS of interest is primarily associated with the treatment phase and not sequestered in other phases that are recalcitrant to treatment. This requires that PFAS speciation be considered (e.g., the relative quantities of free or complexed anionic or neutral species, cation-anion ion pairs, larger molecular aggregates, or pure phase if the solubility limit is exceeded). All of this information is required to build a reliable model of PFAS fate and transport within any media.
If PFAS is primarily associated with stationary phases, its mobility is much less than if it is in the vapor or aqueous phases. Evaluation of the bioaccumulation and toxicity of PFAS also requires consideration of its phase distribution and speciation. PFAS bound to phases not exposed to the organism or distributed among multiple chemical species will accumulate differently in organisms depending on the bioavailability of each species and their toxic potential. This is not a new requirement for understanding transport, transformations, and toxicity of environmental chemicals of concern, but the challenges and unknowns are extreme for PFAS.
Improving the understanding of the organism compartment(s) that most strongly accumulate PFAS mass is critical to predicting its ultimate fate and transport. Partition coefficients for neutral and ionic PFAS species partitioning from water/environmental matrices to plants (i.e., the major biological components such as lipids, proteins, lignin) and animals (e.g., membrane and storage lipids and proteins of shellfish, fish, mammals, deer, and birds) is a particular data gap. Effort is needed for both equilibrium and food web-based exchanges. As an alternative approach, toxicokinetic models that account for PFAS-specific protein binding and trans compartment transport (e.g., organic anion transport proteins) also may need to be considered.