POCIS Calibration for Organic Compound Sampling in Small Headwater Streams

Booij, Kees; Chen, Sunmao; Trask, Jennifer R.

doi:10.1002/etc.4731

Cited by 14 publications

(16 citation statements)

References 29 publications

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“…These values are fairly well in line with mass transfer equations for laminar flow over a flat surface (Stephens et al 2005):

k_{normalw} = 0.664 \frac{D_{w}}{normalℓ} {(\frac{U ℓ}{ν})}^{1 / 2} {(\frac{ν}{D_{w}})}^{1 / 3}

where U is water flow velocity, ν is kinematic viscosity or water, and ℓ is average length of the flow lines over the sampler surface. Measured values of k w in a small headwater stream were fairly well in line with Equation 29 for a polar organic chemical integrative sampler (proportionality factor 0.41 instead of 0.664; Booij et al 2020). Equation 29 predicts k w between 1 and 25 µm/s for flow velocities of 1 to 100 cm/s at 20 °C, and ℓ between 2 and 20 cm, which corresponds to surface area normalized R s values between 0.9 and 22 L/(dm 2 d) for fully WBL‐controlled kinetics.…”

Section: Field Monitoring With Polymeric Samplerssupporting

confidence: 71%

“…Assuming that transport in the membrane is via the pore space only, k m+w is given by (Booij et al 2020):…”

Section: Extraction Disks With Membranementioning

confidence: 99%

“…The model can also be applied to sampling by extraction disks with a microporous membrane, by considering that the Biot number is the ratio of internal (sorbent) and external (WBL + membrane) transport resistances. Replacing k w in Equation 32 by the mass transfer coefficient ( k m+w ) of membrane and WBL yields:

italicBi = \frac{k_{normalm + normalw} θ_{s}^{2} L}{φ_{s} D_{w}}

Assuming that transport in the membrane is via the pore space only, k m+w is given by (Booij et al 2020):

\frac{1}{k_{normalm + normalw}} = \frac{1}{k_{w}} + \frac{1}{\frac{φ_{m} D_{w}}{θ_{m}^{2} d_{m}}}

where φ m is porosity, θ m is tortuosity, and d m is thickness of the microporous membrane. Adopting a measured value

φ_{m} / θ_{m}^{2}

= 0.78 for polyethersulfone membranes (Booij et al 2017a), d m = 130 µm, and D w = 500 µm 2 /s gives φ m D w /( θ m 2 d m ) = 3 µm/s.…”

Section: Field Monitoring With Extraction Disksmentioning

confidence: 99%

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Passive Sampler Exchange Kinetics in Large and Small Water Volumes Under Mixed Rate Control by Sorbent and Water Boundary Layer

Booij¹

2021

Enviro Toxic and Chemistry

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Exchange kinetics of organic compounds between passive samplers and water can be partly or completely controlled by transport in the sorbent. In such cases diffusion models are needed. A model is discussed that is based on a series of cosines (space) and exponentials (time). The model applies to mixed rate control by sorbent and water boundary layer under conditions of fixed aqueous concentrations (open systems, infinite water volumes, in situ sampling) and fixed amounts (closed systems, finite water volumes, ex situ sampling). Details on the implementation of the model in computational software and spreadsheet programs are discussed, including numerical accuracy. Key parameters are Biot number (ratio of internal/external transfer resistance) and sorbent/water phase ratio. Small Biot numbers are always indicative of rate control by the water boundary layer, but for large Biot numbers this may still be the case over short time scales. Application to environmental monitoring of nonpolar compounds showed that diffusion models are rarely needed for sampling with commonly used single‐phase polymers. For determining sorption coefficients in batch incubations, the model demonstrated a profound effect of sorbent/water phase ratio on time to equilibrium. Application of the model to sampling of polar organic compounds by extraction disks with or without a membrane showed that moderate to major sorbent‐controlled kinetics is likely to occur. This implies that the use of sampling rate models for such samplers needs to be reconsidered. Environ Toxicol Chem 2021;40:1241–1254. © 2021 SETAC

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“…These values are fairly well in line with mass transfer equations for laminar flow over a flat surface (Stephens et al 2005):

k_{normalw} = 0.664 \frac{D_{w}}{normalℓ} {(\frac{U ℓ}{ν})}^{1 / 2} {(\frac{ν}{D_{w}})}^{1 / 3}

Section: Field Monitoring With Polymeric Samplerssupporting

confidence: 71%

“…Assuming that transport in the membrane is via the pore space only, k m+w is given by (Booij et al 2020):…”

Section: Extraction Disks With Membranementioning

confidence: 99%

italicBi = \frac{k_{normalm + normalw} θ_{s}^{2} L}{φ_{s} D_{w}}

Assuming that transport in the membrane is via the pore space only, k m+w is given by (Booij et al 2020):

\frac{1}{k_{normalm + normalw}} = \frac{1}{k_{w}} + \frac{1}{\frac{φ_{m} D_{w}}{θ_{m}^{2} d_{m}}}

where φ m is porosity, θ m is tortuosity, and d m is thickness of the microporous membrane. Adopting a measured value

φ_{m} / θ_{m}^{2}

= 0.78 for polyethersulfone membranes (Booij et al 2017a), d m = 130 µm, and D w = 500 µm 2 /s gives φ m D w /( θ m 2 d m ) = 3 µm/s.…”

Section: Field Monitoring With Extraction Disksmentioning

confidence: 99%

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Passive Sampler Exchange Kinetics in Large and Small Water Volumes Under Mixed Rate Control by Sorbent and Water Boundary Layer

Booij¹

2021

Enviro Toxic and Chemistry

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“…While Booij and Chen showed that a difference of cavity from 20 to 3–7 mm (polycarbonate design) does not largely impact the uptake of atrazine, Lobpreis et al showed that this same difference can impact the uptake up to a factor of 2. The use of other housings designs (POCIS) and canisters was shown to lead to proportionality coefficients that are much lower (0.41 for POCIS and 0.21 for POCIS inside canisters), revealing that eq would not be appropriate for these situations …”

Section: Resultsmentioning

confidence: 99%

“…The use of other housings designs (POCIS) and canisters was shown to lead to proportionality coefficients that are much lower (0.41 for POCIS and 0.21 for POCIS inside canisters), revealing that eq 10 would not be appropriate for these situations. 45 To refine the provided semi-empirical model, two aspects should be further studied. First, data obtained at the two lowest velocities (5 and 12 cm s −1 ) were below the regression lines, whereas data obtained at the two highest velocities (20 and 40 cm s −1 ) were above the regression line (Figure 4).…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Determining the Mass Transfer Coefficient of the Water Boundary Layer at the Surface of Aquatic Integrative Passive Samplers

Glanzmann

Booij²,

Reymond

et al. 2022

Environ. Sci. Technol.

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Passive sampling devices (PSDs) offer key benefits for monitoring chemical water quality, but the uptake process of PSDs for hydrophilic compounds still needs to be better understood. Determining mass transfer coefficients of the water boundary layer (k w) during calibration experiments and in situ monitoring would contribute toward achieving this; it allows for combining calibration data obtained at different temperature and hydrodynamic conditions and facilitate the translation of laboratory-derived calibration data to field exposure. This study compared two k w measurement methods applied to extraction disk housings (Chemcatcher), namely, alabaster dissolution and dissipation of performance reference compounds (PRCs) from silicone. Alabaster- and PRC-based k w were measured at four flow velocities (5–40 cm s–1) and two temperatures (11 and 20 °C) in a channel system. Data were compared using a relationship based on Sherwood, Reynolds, and Schmidt numbers. Good agreement was observed between data obtained at both temperatures, and for the two methods. Data were well explained by a model for mass transfer to a flat plate under laminar flow. It was slightly adapted to provide a semi-empirical model accounting for the effects of housing design on hydrodynamics. The use of PRC-spiked silicone to obtain in situ integrative k w for Chemcatcher-type PSDs is also discussed.

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