An integrated approach to understanding the sorption mechanism of phenanthrene by cork

► Lignin is the main responsible of the good sorption process between cork and PHE. ► DCM extractives contents hinder the interaction lignin-PHE. ► Phenolic extractives, holocellulose do not play a significant role on PHE sorption. ► Suberin, the main biopolymer of cork, has no influence on PHE sorption. ► The modeling study showed that the lignin-PHE interaction is mostly hydrophobic.