title: Diffusion-based calibration for solid-phase microextraction of benzene, toluene, ethylbenzene, p-xylene and chlorobenzenes from aqueous samples.
abstract: Short-term solid-phase microextraction (SPME) was performed to test a recently proposed semi-empirical model for the prediction of concentrations of analyte in water samples from the fibre-extracted mass without further calibration. The mass uptake rates obtained for benzene, toluene, ethylbenzene and p-xylene (BTEX) differ considerably from the before published, showing that interfibre comparability is a serious issue. The relative prediction errors are between -55% for benzene and +82% for p-dichlorobenzene under optimal conditions, i.e. they are by an order of magnitude higher than originally published. A sensitivity analysis shows the dominant influence of the estimated thickness of the diffusional boundary layer around the fibre on the concentration predicted. Empirical modification of the model equation for this parameter yields satisfactory results under the conditions tested for both BTEX and the selected chlorobenzenes.
authors.affiliation: Department of Chemical Ecotoxicology, UFZ-Centre for Environmental Research, Permoserstrasse 15, Leipzig 04318, Germany. albrecht.paschke@ufz.de
authors.forename: A
authors.initials: A
authors.lastname: Paschke
authors.forename: P
authors.initials: P
authors.lastname: Popp
mesh_terms: D001554:Benzene / Q000302:isolation & purification*; D001555:Benzene Derivatives / Q000302:isolation & purification*; D002138:Calibration; D002722:Chlorobenzenes / Q000302:isolation & purification*; D004058:Diffusion; D012680:Sensitivity and Specificity; D014050:Toluene / Q000302:isolation & purification*; D014992:Xylenes / Q000302:isolation & purification*
chemical_list: D001555:Benzene Derivatives; D002722:Chlorobenzenes; D014992:Xylenes; D014050:Toluene; C031286:4-xylene; D001554:Benzene; C031294:chlorobenzene; C004912:ethylbenzene