Static SPME sampling of VOCs emitted from indoor building materials: prediction of calibration curves of single compounds for two different emission cells

Mocho, Pierre; Desauziers, Valérie

doi:10.1007/s00216-011-4820-y

Cited by 11 publications

(11 citation statements)

References 30 publications

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“…Tortuosity model was chosen in the software to calculate the effective diffusivity. Tortuosity factor (σ) was calculated from the corresponding porosity [7]:…”

Section: Visual Representation Of the Geometries Is Provided In Fig mentioning

confidence: 99%

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Modeling solid-phase microextraction of volatile organic compounds by porous coatings using finite element analysis

Kenessov

Derbissalin

Kozieł

et al. 2019

Analytica Chimica Acta

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Experimental optimization of analytical methods based on solid-phase microextraction (SPME) is a complex and labor-intensive process associated with uncertainties. Using theoretical basics of SPME and finite element analysis software for the optimization proved to be an efficient alternative. In this study, an improved finite element analysis-based model for SPME of volatile organic compounds (VOCs) by porous coatings was developed mainly focussing on the mass transport in coatings. Benzene and the Carboxen/ polydimethylsiloxane (Car/PDMS) coating were used as the model VOC and a porous SPME coating, respectively. It has been established that in the coating, volumetric fractions of Carboxen, PDMS, and air are 33, 42 and 25%, respectively. It has been proven that Knudsen diffusion in micropores can slow down a mass transport of analytes in the coating. For Car/PDMS coating, mass transport of benzene is mostly characterized by a molecular diffusion, which can be explained by a large fraction of macro-and mesopores. It has been shown that the developed model can be used to model the extraction of VOCs from air and water samples encountered in a typical SPME development method procedure. It was possible to determine system equilibration times and use them to optimize sample volume and Henry's law constant. The developed model is relatively simple, fast, and can be recommended for optimization of extraction parameters for other analytes and SPME coatings. The diffusivity of analytes in a coating is an important property needed for improved characterization of existing and new SPME polymers and analytical method optimization.

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“…Tortuosity model was chosen in the software to calculate the effective diffusivity. Tortuosity factor (σ) was calculated from the corresponding porosity [7]:…”

Section: Visual Representation Of the Geometries Is Provided In Fig mentioning

confidence: 99%

“…One of the most important resources for optimization of SPME-based methods is the theory of the method, which is well established [5][6][7][8][9][10] yet underutilized. The theory is often used by method developers only as a tool to explain the results of the experimental optimization.…”

Section: Introductionmentioning

confidence: 99%

Modeling solid-phase microextraction of volatile organic compounds by porous coatings using finite element analysis

Kenessov

Derbissalin

Kozieł

et al. 2019

Analytica Chimica Acta

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show abstract

“…where: r is the average pore radius (0.6 nm); T is the temperature (298 K); M is the molecular mass (78•10 -3 kg mol -1 ). Net diffusion coefficient in pores (DP = 1.14•10 -7 m 2 s -1 ) was calculated using [5,19]:…”

Section: Modeling Of the Effect Of Benzene Diffusion Coefficient In Cmentioning

confidence: 99%

“…One of the most important resources for optimization of SPME-based methods is the theory of the method, which is well established [3][4][5][6][7][8] yet underutilized. The theory is often used by method developers only as a tool to explain the results of the experimental optimization.…”

mentioning

confidence: 99%

Modeling Solid-Phase Microextraction of Volatile Organic Compounds by Porous Coatings Using Finite Element Analysis

Kenessov¹,

Derbissalin²,

Kozieł³

et al. 2019

Preprint

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Experimental optimization of analytical methods based on solid-phase microextraction (SPME) is a complex and labor-intensive process associated with uncertainties. Using theoretical basics of SPME and finite element analysis software for the optimization proved to be an efficient alternative. In this study, an improved finite element analysis-based model for SPME of volatile organic compounds (VOCs) by porous coatings was developed mainly focussing on the mass transport in coatings. Benzene and the Carboxen/polydimethylsiloxane (Car/PDMS) coating were used as the model VOC and a porous SPME coating, respectively. It has been established that in the coating, volumetric fractions of Carboxen, PDMS, and air are 33, 42 and 25%, respectively. It has been proven that Knudsen diffusion in micropores can slow down a mass transport of analytes in the coating. For Car/PDMS coating, mass transport of benzene is mostly characterized by a molecular diffusion, which can be explained by a large fraction of macro- and mesopores. It has been shown that the developed model can be used to model the extraction of VOCs from air and water samples encountered in a typical SPME development method procedure. It was possible to determine system equilibration times and use them to optimize sample volume and Henry’s law constant. The developed model is relatively simple, fast, and can be recommended for optimization of extraction parameters for other analytes and SPME coatings. The diffusivity of analytes in a coating is an important property needed for improved characterization of existing and new SPME polymers and analytical method optimization.

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“…Isotropic diffusion coefficient (in the air inside pores) was the same as for air (set to 8.8, 8.7, 12.4 and 10.1 mm 2 s -1 for benzene, toluene, acetone, and dichloromethane, respectively). The approach proposed by Mocho and Desauziers [31] involving Knudsen diffusion in micro-pores was also tested. However, it…”

Section: Sampling Using Adsorptive Coatingsmentioning

confidence: 99%

Optimization of Time-Weighted Average Air Sampling by Solid-Phase Microextraction Fibers Using Finite Element Analysis Software

Kenessov

Kozieł

Baimatova

et al. 2018

Preprint

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Determination of time-weighted average (TWA) concentrations of volatile organic compounds (VOCs) in air using solid-phase microextraction (SPME) is advantageous over other sampling techniques, but is often characterized by insufficient accuracies, particularly at longer sampling times. Experimental investigation of this issue and disclosing the origin of the problem is problematic and often not practically feasible due to high uncertainties. This research is aimed at developing the model of TWA extraction process and optimization of TWA air sampling by SPME using finite element analysis software (COMSOL Multiphysics). It was established that sampling by porous SPME coatings with high affinity to analytes is affected by slow diffusion of analytes inside the coating, an increase of analytes concentrations in the air near the fiber tip due to equilibration, and eventual lower sampling rate. The increase of a fiber retraction depth (Z) resulted in better recoveries. Sampling of studied VOCs using 23-ga Car/PDMS assembly at maximum possible Z (40 mm) was proven to provide more accurate results. Alternative sampling configuration based on 78.5 x 0.75 mm i.d. SPME liner was proven to provide similar accuracy at improved detection limits. Its modification with the decreased internal diameter from the sampling side should provide even better recoveries. The developed model offers new insight into optimization of air and gas sampling using SPME.

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Static SPME sampling of VOCs emitted from indoor building materials: prediction of calibration curves of single compounds for two different emission cells

Cited by 11 publications

References 30 publications

Modeling solid-phase microextraction of volatile organic compounds by porous coatings using finite element analysis

Modeling solid-phase microextraction of volatile organic compounds by porous coatings using finite element analysis

Modeling Solid-Phase Microextraction of Volatile Organic Compounds by Porous Coatings Using Finite Element Analysis

Optimization of Time-Weighted Average Air Sampling by Solid-Phase Microextraction Fibers Using Finite Element Analysis Software

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