{"id":116300,"date":"2026-09-11T15:11:15","date_gmt":"2026-09-11T13:11:15","guid":{"rendered":"https:\/\/nilu.gnist.dev\/publikasjoner\/expanding-the-applicability-of-multimedia-fate-models-to-polar-organic-chemicals\/"},"modified":"2026-09-11T15:11:15","modified_gmt":"2026-09-11T13:11:15","slug":"expanding-the-applicability-of-multimedia-fate-models-to-polar-organic-chemicals","status":"publish","type":"nva_publication","link":"https:\/\/nilu.gnist.dev\/en\/publications\/expanding-the-applicability-of-multimedia-fate-models-to-polar-organic-chemicals\/","title":{"rendered":"Expanding the applicability of multimedia fate models to polar organic chemicals"},"content":{"rendered":"<p class=\"wp-block-paragraph\">Reliable estimates of environmental phase partitioning are<br \/>\nessential for accurate predictions of the environmental<br \/>\nfate of organic chemicals. Current fate and transport models<br \/>\nuse single-parameter linear free energy relationships (SPLFERs)<br \/>\nto quantify equilibrium phase partitioning. The<br \/>\napplicability of such SP-LFERs is limited because no single<br \/>\nparameter is able to describe appropriately all the<br \/>\nmolecular interactions that contribute to environmental<br \/>\nphase distribution processes. Environmental partitioning<br \/>\ncoefficients predicted by SP-LFERs may thus have errors<br \/>\nof up to an order of magnitude. Ranges for several<br \/>\nenvironmental partitioning equilibria are identified, where<br \/>\nsuch errors can result in significantly different fate predictions<br \/>\nfor individual bulk model compartments. We propose<br \/>\nthat it is possible to reduce such errors and uncertainties<br \/>\nby implementing polyparametric LFER (PP-LFER) approaches<br \/>\nin multimedia fate models. A level III fugacity model was<br \/>\nmodified such that the partitioning properties of chemicals<br \/>\nare characterized by five linear solvation energy parameters<br \/>\nrather than vapor pressure, water solubility, and octanolwater partition coefficient. A comparison of modified and unmodified models for a set of organic chemicals shows that the approach chosen to simulate environmental phase partitioning can have a large impact on model results, including long-range transport potential, overall persistence, and concentrations in various media. It is argued that PPLFER based environmental fate models are applicable to a much wider range of organic substances, in particular those with polar functional groups. Obstacles to the full implementation of PP-LFER in multimedia fate models are currently the lack of solute descriptors for some chemicals of environmental concern and suitable regression equations for some important environmental phase equilibria, in particular for the partitioning between gas and particle phase in the atmosphere.<\/p>\n","protected":false},"template":"","meta":{"_acf_changed":false,"_searchwp_excluded":"","_id":"","_status":"PUBLISHED","_sync_date":"2026-09-11 14:12:14","footnotes":""},"nva_tax_category":[1099],"class_list":["post-116300","nva_publication","type-nva_publication","status-publish","hentry","nva_tax_category-scientific-journal-publication"],"acf":[],"_links":{"self":[{"href":"https:\/\/nilu.gnist.dev\/en\/wp-json\/wp\/v2\/nva_publication\/116300","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/nilu.gnist.dev\/en\/wp-json\/wp\/v2\/nva_publication"}],"about":[{"href":"https:\/\/nilu.gnist.dev\/en\/wp-json\/wp\/v2\/types\/nva_publication"}],"version-history":[{"count":0,"href":"https:\/\/nilu.gnist.dev\/en\/wp-json\/wp\/v2\/nva_publication\/116300\/revisions"}],"wp:attachment":[{"href":"https:\/\/nilu.gnist.dev\/en\/wp-json\/wp\/v2\/media?parent=116300"}],"wp:term":[{"taxonomy":"nva_tax_category","embeddable":true,"href":"https:\/\/nilu.gnist.dev\/en\/wp-json\/wp\/v2\/nva_tax_category?post=116300"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}