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.
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.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.