Investigations on the sorption of phenols to dissolved organic matter by a QSAR study.
The sorption of various phenols to Aldrich-HA and BSA was investigated by solid phase microextraction (SPME). The Aldrich-HA sorption with log K(DOC)-values between 2 and 3 was determined, whereas the sorption to BSA with log K(DOC)-values between 2 and 6 was much stronger. To enable an estimation of sorption constants a QSAR model was investigated. The linear free energy relationship (LFER) model showed a good correlation between the sorption constants and the log K(OW)-values with correlation coefficients of R = 0.910 and R = 0.878 for Aldrich-HA and BSA, respectively.
Ohlenbusch
G
G
Engler-Bunte-Institut, Bereich Wasserchemie, Universität Karlsruhe, Germany. Gerd.Ohlenbusch@ciw.uni-karlsruhe.de
Frimmel
F H
FH
D000042:Absorption; D002623:Chemistry Techniques, Analytical / Q000379:methods; D007700:Kinetics; D009930:Organic Chemicals; D010636:Phenols / Q000737:chemistry*; D012995:Solubility; D013329:Structure-Activity Relationship
D009930:Organic Chemicals; D010636:Phenols