Modeling the equilibrium partitioning of organic contaminants between PTFE, PVC, and groundwater

Sorption of contaminants by organic polymers used in well casings and sampling devices has the potential to bias the results of groundwater analysis. Until now, no attempt has been made to explain quantitatively the results of sorption eXperiments. Here a multiparameter linear solvation energy relationship (LSER) was developed to describe the squilibrium partitioning between water, PVC, and PTFE of a group of organic compounds selected for their interest to environmental agencies as potential groundwater contaminants. Partitioning of these solutes was related to their basicity (β), acidity, polarity/polarizability, and molecular volume. These models proved more accurate than octanol/water partition coefficients in correlating the experimental partitioning data