Modeling the effect of temperature on solid-phase microextraction of volatile organic compounds from air by polydimethylsiloxane coating using finite element analysis

Kapar, Anel; Muratuly, Aset; Orazbayeva, Dina; Bakaikina, Nadezhda V.; Bukenov, Bauyrzhan; Kenessov, Bulat

doi:10.1016/j.aca.2022.339431

Cited by 6 publications

(1 citation statement)

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“…Development of methods for quantification of volatile organic compounds in soil samples based on HSSPME is tedious because many parameters should be experimentally optimized -amount of sample, fiber coating, extraction temperature, pressure and time [20,21]. COMSOL Multiphysics® (CMP) have been successfully used for a much simpler and faster computational optimization of HSSPME of volatile organic compounds from samples of air [22][23][24] and water [25,26].…”

Section: Introductionmentioning

confidence: 99%

Optimization of headspace solid-phase microextraction of volatile organic compounds from dry soil samples by porous coatings using COMSOL Multiphysics

Kenessov

Kapar

2022

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Headspace solid-phase microextraction (HSSPME) is one of the simplest and cost-efficient sample preparation approaches for determination of volatile organic compounds (VOCs) in soil. This study was aimed at the development of the model for numerical optimization of HSSPME of volatile organic compounds from dry soil samples by porous coatings using COMSOL Multiphysics (CMP). ‘Transport of Diluted Species in Porous Medium’ physics was used for modeling. Effect of sample mass, pressure, fiber-headspace and soil-headspace distribution constants on extraction profiles and time of 95% equilibrium has been studied using the developed model. Equilibrium extraction under atmospheric pressure (1 atm) can take up to 97 min, while under vacuum (0.0313 atm) – 2.3 min. Equilibration time under vacuum was 42-43 times lower than under 1 atm at all studied distribution constants and sample masses. The developed model was modified for optimization of pre-incubation time using ‘Transport of Diluted Species’ physics. According to the obtained plots, 95% equilibration time can reach 13.3 min and depends on both sample mass and soil-headspace distribution constant of the analyte. The developed model can be recommended for optimization of pressure, preincubation and extraction time when fiber-headspace and soil-headspace distribution constants, soil porosity and density are known.

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