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Modelling Emerging Pollutants in Wastewater Treatment: A Case Study using the Pharmaceutical 17??ethinylestradiol

Acheampong, Edward; Dryden, Ian L.; Wattis, Jonathan A.D.; Twycross, Jamie; Scrimshaw, Mark D.; Gomes, Rachel L.

Modelling Emerging Pollutants in Wastewater Treatment: A Case Study using the Pharmaceutical 17??ethinylestradiol Thumbnail


Edward Acheampong

Professor of Statistics

Professor of Applied Mathematics

Mark D. Scrimshaw

Professor of Water & Resource Processing


Mathematical modelling can play a key role in understanding as well as quantifying uncertainties surrounding the presence and fate of emerging pollutants in wastewater treatment processes (WWTPs). This paper presents for the first time a simplified emerging pollutant pathway in the WWTP that incorporates two potential pathways to sequestration. It develops de-terministic and stochastic ordinary differential equations to gain insight into the fate and behaviour of a case study pharmaceutical, with particular focus on sorption to the solid phase, as well as the nature of the experimentally measured solid parent compound. Statistical estimation and inferential procedures are developed and via a proof-of-concept examination, the study explores the transformation pathways of the bioactive chemicals (BACs) in the bioreactor, which is the heart of the WWTP. With a focus on the case study pharmaceutical 17??ethinlyestradiol (EE2), the simulation results show good agreement with the EE2 data. In addition, the results suggest that the experimentally measured solid EE2-parent concentration is very similar to the model-based sequestered EE2-parent concentration.

Journal Article Type Article
Acceptance Date Jun 25, 2019
Online Publication Date Jul 2, 2019
Publication Date Sep 2, 2019
Deposit Date Jun 28, 2019
Publicly Available Date Jul 3, 2020
Journal Computers & Chemical Engineering
Electronic ISSN 1873-4375
Publisher Elsevier
Peer Reviewed Peer Reviewed
Volume 128
Pages 477-487
Keywords Differential equations; Pharmaceutical pollutants; Sequestration; Transformation pathways; Wastewater treatment
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Additional Information This article is maintained by: Elsevier; Article Title: Modelling emerging pollutants in wastewater treatment: A Case study using the pharmaceutical ethinylestradiol; Journal Title: Computers & Chemical Engineering; CrossRef DOI link to publisher maintained version:; Content Type: article; Copyright: © 2019 Elsevier Ltd. All rights reserved.


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