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Adsorptive interactions between metaldehyde and sulfonic functional group in ion exchange resin

Lookup NU author(s): Dr Bee Min Goh, Dr Chun Yang Yin

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Abstract

© 2020 Elsevier B.V.The elevated metaldehyde (a toxic molluscicide) concentrations in UK and EU water bodies are a major concern among water treatment professionals and related stakeholders. The difficulty of removing metaldehyde using conventional water treatment methods has motivated researchers to develop more effective treatment solutions. In this contribution, we have utilized density functional theory (DFT) to fundamentally investigate the adsorptive interactions (e.g. binding energy) between metaldehyde and sulfonic functional group in an ion exchange resin. Adsorption of the cationic metaldehyde on deprotonated sulfonic group is substantial with a binding energy amounting to 130.9 kcal/mol. Preliminary results on an experimental study involving adsorption of metaldehyde on ion exchange resin are also reported. Our findings would complement the existing body of knowledge on metaldehyde removal.

Publication metadata

Author(s): Altarawneh M, Waters D, Goh B-M, Jiang Z-T, El-Harbawi M, Yin C-Y

Publication type: Article

Publication status: Published

Journal: Journal of Molecular Liquids

Year: 2020

Volume: 313

Print publication date: 01/09/2020

Online publication date: 10/06/2020

Acceptance date: 08/06/2020

ISSN (print): 0167-7322

ISSN (electronic): 1873-3166

Publisher: Elsevier B.V.

URL: https://doi.org/10.1016/j.molliq.2020.113555

DOI: 10.1016/j.molliq.2020.113555

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