Home > Research > Publications & Outputs > A multimedia fate model to support chemical man...

Electronic data

  • -PCPs paper -R2

    Rights statement: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Environmental Science and Technology, copyright © 2016 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/acs.est.5b05769

    Accepted author manuscript, 2.56 MB, PDF document

    Available under license: CC BY-NC

Links

Text available via DOI:

View graph of relations

A multimedia fate model to support chemical management in China: a case study for selected trace organics

Research output: Contribution to journalJournal article

Published

Standard

A multimedia fate model to support chemical management in China : a case study for selected trace organics . / Zhu, Ying; Price, Oliver; Kilgallon, John; Rendal, Cecilie; Tao, Shu; Jones, Kevin Christopher; Sweetman, Andrew James.

In: Environmental Science and Technology, Vol. 50, No. 13, 05.07.2016, p. 7001-7009.

Research output: Contribution to journalJournal article

Harvard

APA

Vancouver

Author

Zhu, Ying ; Price, Oliver ; Kilgallon, John ; Rendal, Cecilie ; Tao, Shu ; Jones, Kevin Christopher ; Sweetman, Andrew James. / A multimedia fate model to support chemical management in China : a case study for selected trace organics . In: Environmental Science and Technology. 2016 ; Vol. 50, No. 13. pp. 7001-7009.

Bibtex

@article{d5b3956b96fd4b0c99c3c1b1d4009254,
title = "A multimedia fate model to support chemical management in China: a case study for selected trace organics ",
abstract = "SESAMe v3.3, a spatially explicit multimedia fate model for China, is a tool suggested to support quantitative risk assessment for national scale chemical management. The key advantage over the previous version SESAMe v3.0 is consideration of spatially varied environmental pH. We evaluate the model performance using estimates of emission from total industry usage of three UV filters (benzophenone-3, octocrylene, and octyl methoxycinnamate) and three antimicrobials (triclosan, triclocarban, and climbazole). The model generally performs well for the six case study chemicals as shown by the comparison between predictions and measurements. The importance of accounting for chemical ionization is demonstrated with the fate and partitioning of both triclosan and climbazole sensitivity to environmental pH. The model predicts ionizable chemicals (triclosan, climbazole, benzophenone-3) to primarily partition into soils at steady state, despite hypothetically only being released to freshwaters, as a result of agricultural irrigation by freshwater. However, further model calibration is needed when more field data becomes available for soils and sediments and for larger areas of water. As an example, accounting for the effect of pH in the environmental risk assessment of triclosan, limited freshwater areas (0.03% or ca. 55 km2) in mainland China are modeled to exceed its conservative environmental no-effect threshold. SESAMe v3.3 can be used to support the development of chemical risk assessment methodologies with the spatial aspects of the model providing a guide to the identification regions of interest in which to focus monitoring campaigns or develop a refined risk assessment.",
author = "Ying Zhu and Oliver Price and John Kilgallon and Cecilie Rendal and Shu Tao and Jones, {Kevin Christopher} and Sweetman, {Andrew James}",
note = "This document is the Accepted Manuscript version of a Published Work that appeared in final form in Environmental Science and Technology, copyright {\textcopyright} 2016 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/acs.est.5b05769",
year = "2016",
month = jul
day = "5",
doi = "10.1021/acs.est.5b05769",
language = "English",
volume = "50",
pages = "7001--7009",
journal = "Environmental Science and Technology",
issn = "0013-936X",
publisher = "American Chemical Society",
number = "13",

}

RIS

TY - JOUR

T1 - A multimedia fate model to support chemical management in China

T2 - a case study for selected trace organics

AU - Zhu, Ying

AU - Price, Oliver

AU - Kilgallon, John

AU - Rendal, Cecilie

AU - Tao, Shu

AU - Jones, Kevin Christopher

AU - Sweetman, Andrew James

N1 - This document is the Accepted Manuscript version of a Published Work that appeared in final form in Environmental Science and Technology, copyright © 2016 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/acs.est.5b05769

PY - 2016/7/5

Y1 - 2016/7/5

N2 - SESAMe v3.3, a spatially explicit multimedia fate model for China, is a tool suggested to support quantitative risk assessment for national scale chemical management. The key advantage over the previous version SESAMe v3.0 is consideration of spatially varied environmental pH. We evaluate the model performance using estimates of emission from total industry usage of three UV filters (benzophenone-3, octocrylene, and octyl methoxycinnamate) and three antimicrobials (triclosan, triclocarban, and climbazole). The model generally performs well for the six case study chemicals as shown by the comparison between predictions and measurements. The importance of accounting for chemical ionization is demonstrated with the fate and partitioning of both triclosan and climbazole sensitivity to environmental pH. The model predicts ionizable chemicals (triclosan, climbazole, benzophenone-3) to primarily partition into soils at steady state, despite hypothetically only being released to freshwaters, as a result of agricultural irrigation by freshwater. However, further model calibration is needed when more field data becomes available for soils and sediments and for larger areas of water. As an example, accounting for the effect of pH in the environmental risk assessment of triclosan, limited freshwater areas (0.03% or ca. 55 km2) in mainland China are modeled to exceed its conservative environmental no-effect threshold. SESAMe v3.3 can be used to support the development of chemical risk assessment methodologies with the spatial aspects of the model providing a guide to the identification regions of interest in which to focus monitoring campaigns or develop a refined risk assessment.

AB - SESAMe v3.3, a spatially explicit multimedia fate model for China, is a tool suggested to support quantitative risk assessment for national scale chemical management. The key advantage over the previous version SESAMe v3.0 is consideration of spatially varied environmental pH. We evaluate the model performance using estimates of emission from total industry usage of three UV filters (benzophenone-3, octocrylene, and octyl methoxycinnamate) and three antimicrobials (triclosan, triclocarban, and climbazole). The model generally performs well for the six case study chemicals as shown by the comparison between predictions and measurements. The importance of accounting for chemical ionization is demonstrated with the fate and partitioning of both triclosan and climbazole sensitivity to environmental pH. The model predicts ionizable chemicals (triclosan, climbazole, benzophenone-3) to primarily partition into soils at steady state, despite hypothetically only being released to freshwaters, as a result of agricultural irrigation by freshwater. However, further model calibration is needed when more field data becomes available for soils and sediments and for larger areas of water. As an example, accounting for the effect of pH in the environmental risk assessment of triclosan, limited freshwater areas (0.03% or ca. 55 km2) in mainland China are modeled to exceed its conservative environmental no-effect threshold. SESAMe v3.3 can be used to support the development of chemical risk assessment methodologies with the spatial aspects of the model providing a guide to the identification regions of interest in which to focus monitoring campaigns or develop a refined risk assessment.

U2 - 10.1021/acs.est.5b05769

DO - 10.1021/acs.est.5b05769

M3 - Journal article

VL - 50

SP - 7001

EP - 7009

JO - Environmental Science and Technology

JF - Environmental Science and Technology

SN - 0013-936X

IS - 13

ER -