Details zur Publikation

Referenztyp Zeitschriften
DOI / URL Link
Titel (primär) Applications of polyparameter linear free energy relationships in environmental chemistry
Autor Endo, S.; Goss, K.-U.
Journal / Serie Environmental Science & Technology
Erscheinungsjahr 2014
Department AUC
Band/Volume 48
Heft 21
Seite von 12477
Seite bis 12491
Sprache englisch
UFZ Querschnittsthemen RU3;
Abstract Partitioning behavior of organic chemicals has tremendous influences on their environmental distribution, reaction rates, bioaccumulation, and toxic effects. Polyparameter linear free energy relationships (PP-LFERs) have been proven to be useful to characterize the equilibrium partitioning of organic chemicals in various environmental and technical partitioning systems and predict the respective partition coefficients. Over the past decade, PP-LFER solute descriptors for numerous environmentally relevant organic chemicals and system parameters for environmentally important partitioning systems have been determined, extending substantially the applicability of the PP-LFER approaches. However, the information needed for the use of PP-LFERs including descriptors and parameters is scattered over a large number of publications. In this work, we review the state of the art of the PP-LFER approaches in environmental chemical applications. The solute descriptors and system parameters reported in the literature and the availability of their database are summarized, and their calibration and prediction methods are overviewed. We also describe tips and pitfalls associated with the use of the PP-LFER approaches and identify research needs to improve further the usefulness of PP-LFERs for environmental chemistry.
dauerhafte UFZ-Verlinkung
Endo, S., Goss, K.-U. (2014):
Applications of polyparameter linear free energy relationships in environmental chemistry
Environ. Sci. Technol. 48 (21), 12477 - 12491