Model of the solid-phase microextraction process in COMSOL Multiphysics

Since 2017, laboratory staff have been developing computer models for simulating the process of solid-phase microextraction of organic compounds from air, water, and soil using COMSOL Multiphysics. The developed models significantly reduce the time and other costs associated with optimizing the parameters of solid-phase microextraction, as well as test the method under complex conditions and identify potential issues. To use the model, only the distribution constants of analytes between all phases involved in the process and their diffusion coefficients are required. Currently, we optimize at least half of the parameters of the developed methods using the available models.

Details of the developed models can be found in the following articles:

  1. Kenessov B., Derbissalin M., Koziel J.A., Kosyakov D.S., 2019. Modeling solid-phase microextraction of volatile organic compounds by porous coatings using finite element analysis. Analytica Chimica Acta 1076, 73-81. (The article includes a video of the modeling process)
  2. Zhakupbekova A., Baimatova N., Kenessov B., 2019. A critical review of vacuum-assisted headspace solid-phase microextraction for environmental analysis. Trends in Environmental Analytical Chemistry 22, e00065.
  3. Kenessov B., Koziel J.A., Baimatova N., Demyanenko O.P., Derbissalin M., 2018. Optimization of time-weighted average air sampling by solid-phase microextraction fibers using finite element analysis software. Molecules 23, 2736. (Open Access, video of the modeling process).
  4. Kapar A., Muratuly A., Orazbayeva D., Bakaikina N.V., Bukenov B., Kenessov B., 2022. Modeling the effect of temperature on solid-phase microextraction of volatile organic compounds from air by polydimethylsiloxane coating using finite element analysis, Analytica Chimica Acta 1195, 339431.
  5. Muratuly A., Kapar A., Kenessov B., 2022. Modeling headspace solid-phase microextraction of volatile organic compounds from water samples with porous coatings using finite element analysis, Advances in Sample Preparation 3, 100030.
  6. Kenessov B., Kapar A., 2022. Optimization of headspace solid-phase microextraction of volatile organic compounds from dry soil samples by porous coatings using COMSOL Multiphysics. Chemical Bulletin of Kazakh National University 4, 4-12.
  7. Kenessov B., Muratuly A., 2024. Evaluation of the vacuum effect on headspace solid-phase microextraction of volatile organic compounds from aqueous samples using finite element analysis modeling. Journal of Chromatography Open 6, 100148.

Video modeling of the process of sampling a time-weighted average VOC sample in air using solid-phase microextraction in COMSOL Multiphysics

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