HTML Website BuilderIn the new open access journal Advances in Sample Preparation (Elsevier), our article was published “Modeling headspace solid-phase microextraction of volatile organic compounds from water samples with porous coatings using finite element analysis”.
As part of the study, a computer model was developed in COMSOL Multiphysics®, which allows obtaining profiles of solid-phase microextraction (SPME) of volatile organic compounds (VOCs) from the gas phase above water using a Carboxen/polydimethylsiloxane-based coating at 25 °C. The developed model is mainly based on existing theory and previous studies on numerical modeling of SPME. It has been proven that the Southworth approach for modeling the mass transfer of analytes from water to the gas phase allows obtaining extraction profiles of benzene, toluene, ethylbenzene, and o-xylene (BTEX) from water that are closest to experimental profiles. The developed model was successfully applied to optimize extraction parameters (stirring speed, fiber insertion depth, pressure, sample volume, and added salt concentration). After minor modification, the model was also used to optimize pre-incubation time. The developed model can be recommended for optimizing methods for the quantitative determination of VOCs in water using headspace SPME.
The article underwent blind peer review, during which, based on reviewers' comments, we conducted an additional experiment, and the article was substantially revised before being accepted for publication by the editor.
We thank the Science Committee of the Ministry of Education and Science of the Republic of Kazakhstan (project AP08052684 "Efficient development of environmental analysis methods based on headspace solid-phase microextraction using computer modeling") and the Ministry of Education and Science (Anel Kapar grant for doctoral studies) for supporting this work.
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