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

Mohammednoor Altarawneh, Daniela Waters, Bee Min Goh, Zhong Tao Jiang, Mohanad El-Harbawi, Chun Yang Yin

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number113555
JournalJournal of Molecular Liquids
Volume313
DOIs
Publication statusPublished - Sept 1 2020

Keywords

  • Adsorption
  • Density functional theory
  • Ion exchange resin
  • Metaldehyde
  • Sulfonic functional group

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Materials Chemistry

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