Towards validation of the NanoDUFLOW nanoparticle fate model for the river Dommel, The Netherlands

J.J.M. de Klein, J.T.K. Quik, P. Bauerlein, A.A. Koelmans

Research output: Contribution to journalArticleAcademicpeer-review

19 Citations (Scopus)

Abstract

It is generally acknowledged that fate models for engineered nanoparticles (ENPs) hardly can be validated, given present limitations in analytical methods available for ENPs. Here we report on progress towards validation of the spatially resolved hydrological ENP fate model NanoDUFLOW, by comparing measured and modeled concentrations of < 450 nm Ce, Al, Ti and Zr -based particles for river Dommel (NL), as measured by Asymmetric Flow-Field-Flow Fractionation (AF4) coupled to ICP-MS. NanoDUFLOW simulates advection, aggregation-sedimentation, resuspension, dissolution and burial for singular ENPs, 5 classes of ENP homoaggregates and 25 classes of heteroaggregates, dynamically in space and time, and uses actual hydrological data of the river, 5 tributaries and a waste water treatment plant effluent. Validation for Ce particles was very good, whereas for Al, Ti and Zr particles, reasonable results were obtained. Model output was relatively insensitive to the attachment efficiency parameter, due to fast heteroaggregation. We argue that although the results cannot be taken as formal validation of singular <100 nm ENP behavior, they probably validate the reflection of that behavior on the level of natural and ENP-inclusive aggregate transport in the modeled system.
Original languageEnglish
Pages (from-to)434-441
JournalEnvironmental Science: Nano
Volume3
Issue number2
DOIs
Publication statusPublished - 19 Jan 2016

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Rivers
Nanoparticles
river
Water treatment plants
Advection
Fractionation
nanoparticle
resuspension
Sedimentation
flow field
Effluents
tributary
analytical method
Flow fields
advection
Dissolution
Wastewater
Agglomeration
fractionation
dissolution

Cite this

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title = "Towards validation of the NanoDUFLOW nanoparticle fate model for the river Dommel, The Netherlands",
abstract = "It is generally acknowledged that fate models for engineered nanoparticles (ENPs) hardly can be validated, given present limitations in analytical methods available for ENPs. Here we report on progress towards validation of the spatially resolved hydrological ENP fate model NanoDUFLOW, by comparing measured and modeled concentrations of < 450 nm Ce, Al, Ti and Zr -based particles for river Dommel (NL), as measured by Asymmetric Flow-Field-Flow Fractionation (AF4) coupled to ICP-MS. NanoDUFLOW simulates advection, aggregation-sedimentation, resuspension, dissolution and burial for singular ENPs, 5 classes of ENP homoaggregates and 25 classes of heteroaggregates, dynamically in space and time, and uses actual hydrological data of the river, 5 tributaries and a waste water treatment plant effluent. Validation for Ce particles was very good, whereas for Al, Ti and Zr particles, reasonable results were obtained. Model output was relatively insensitive to the attachment efficiency parameter, due to fast heteroaggregation. We argue that although the results cannot be taken as formal validation of singular <100 nm ENP behavior, they probably validate the reflection of that behavior on the level of natural and ENP-inclusive aggregate transport in the modeled system.",
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Towards validation of the NanoDUFLOW nanoparticle fate model for the river Dommel, The Netherlands. / de Klein, J.J.M.; Quik, J.T.K.; Bauerlein, P.; Koelmans, A.A.

In: Environmental Science: Nano, Vol. 3, No. 2, 19.01.2016, p. 434-441.

Research output: Contribution to journalArticleAcademicpeer-review

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AU - Quik, J.T.K.

AU - Bauerlein, P.

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AB - It is generally acknowledged that fate models for engineered nanoparticles (ENPs) hardly can be validated, given present limitations in analytical methods available for ENPs. Here we report on progress towards validation of the spatially resolved hydrological ENP fate model NanoDUFLOW, by comparing measured and modeled concentrations of < 450 nm Ce, Al, Ti and Zr -based particles for river Dommel (NL), as measured by Asymmetric Flow-Field-Flow Fractionation (AF4) coupled to ICP-MS. NanoDUFLOW simulates advection, aggregation-sedimentation, resuspension, dissolution and burial for singular ENPs, 5 classes of ENP homoaggregates and 25 classes of heteroaggregates, dynamically in space and time, and uses actual hydrological data of the river, 5 tributaries and a waste water treatment plant effluent. Validation for Ce particles was very good, whereas for Al, Ti and Zr particles, reasonable results were obtained. Model output was relatively insensitive to the attachment efficiency parameter, due to fast heteroaggregation. We argue that although the results cannot be taken as formal validation of singular <100 nm ENP behavior, they probably validate the reflection of that behavior on the level of natural and ENP-inclusive aggregate transport in the modeled system.

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