Predicting Permeation of Organic Contaminants into Polyethylenes

Abstract

A model was developed and validated for predicting solubility and diffusion coefficients for contaminants permeating polyethylene (PE) materials used for water pipes and geomembranes. Model development was based on diffusivity and solubility of 13 contaminants and six PE materials that were new and/or aged in chlorinated water. Physical and chemical properties of the contaminants and PEs were included as variables in the model. Tree regression was used to select variables, and multiple linear regression was used to develop predictive equations for contaminant diffusivity and solubility in PE. Organic contaminant properties, especially dipole moment and octanol-water partition coefficient, had greater predictive capability than PE properties. Coefficients of determination