Publication:

Predicting Micropollutant Removal in Wastewater Treatment Based on Molecular Structure: Benchmark Data and Models

Date

Date

Date
2025
Journal Article
Published version

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Cordero Solano, J. A., Hafner, J., McLachlan, M. S., Singer, H., & Fenner, K. (2025). Predicting Micropollutant Removal in Wastewater Treatment Based on Molecular Structure: Benchmark Data and Models. Environmental Science & Technology, 59, 22020–22028. https://doi.org/10.1021/acs.est.5c09314

Abstract

Abstract

Abstract

Models to predict the environmental fate of micropollutants are needed for alternatives assessment and safe-by-design efforts. Wastewater treatment plants (WWTPs) are the main barrier to prevent micropollutants from entering receiving water bodies, and WWTP breakthrough is an important indicator of chemical persistence. State-of-the-art models to predict breakthrough are limited by their need for first-order degradation rate constants, a metric that is often unavailable. Here, we build models that predict removal in conventional treat

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Creators (Authors)

  • Cordero Solano, José Andrés
    affiliation.icon.alt
  • Hafner, Jasmin
    affiliation.icon.alt
  • McLachlan, Michael S.
    affiliation.icon.alt
  • Singer, Heinz
    affiliation.icon.alt

Journal/Series Title

Journal/Series Title

Journal/Series Title
Environmental Science & Technology

Volume

Volume

Volume
59

Number

Number

Number
41

Page range/Item number

Page range/Item number

Page range/Item number
22020

Page end

Page end

Page end
22028

Item Type

Item Type

Item Type
Journal Article

Dewey Decimal Classifikation

Dewey Decimal Classifikation

Dewey Decimal Classifikation

Keywords

QSAR, breakthrough, data set, micropollutants, model, wastewater treatment

Language

Language

Language
English

Publication date

Publication date

Publication date
2025-10-08

Date available

Date available

Date available
2026-02-06

Publisher

Publisher

Publisher
American Chemical Society (ACS)

ISSN or e-ISSN

ISSN or e-ISSN

ISSN or e-ISSN
0013-936X
1520-5851

OA Status

OA Status

OA Status
Hybrid

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Free Access at
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PubMed ID

PubMed ID

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Cordero Solano, J. A., Hafner, J., McLachlan, M. S., Singer, H., & Fenner, K. (2025). Predicting Micropollutant Removal in Wastewater Treatment Based on Molecular Structure: Benchmark Data and Models. Environmental Science & Technology, 59, 22020–22028. https://doi.org/10.1021/acs.est.5c09314

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