TY - JOUR
T1 - Adsorptive interactions between metaldehyde and sulfonic functional group in ion exchange resin
AU - Altarawneh, Mohammednoor
AU - Waters, Daniela
AU - Goh, Bee Min
AU - Jiang, Zhong Tao
AU - El-Harbawi, Mohanad
AU - Yin, Chun Yang
N1 - Funding Information:
The authors acknowledge funding provided by Teesside University 's University Research Fund. Technical assistance provided by Helen Hodgson from Teesside University is gratefully appreciated. This research project was partly funded by the Basic Sciences Research Program - National Transformation Program, King Abdulaziz City for Science and Technology - Kingdom of Saudi Arabia - Grant Number ( 12-ENV3120-02 ). M. Altarawneh and Z.-T. Jiang acknowledge the SHEE-SMR (2019) grant support from Murdoch University . C.Y. Yin acknowledges financial support from Newcastle University in Singapore.
Funding Information:
The authors acknowledge funding provided by Teesside University's University Research Fund. Technical assistance provided by Helen Hodgson from Teesside University is gratefully appreciated. This research project was partly funded by the Basic Sciences Research Program - National Transformation Program, King Abdulaziz City for Science and Technology - Kingdom of Saudi Arabia - Grant Number (12-ENV3120-02). M. Altarawneh and Z.-T. Jiang acknowledge the SHEE-SMR (2019) grant support from Murdoch University. C.Y. Yin acknowledges financial support from Newcastle University in Singapore.
Publisher Copyright:
© 2020 Elsevier B.V.
PY - 2020/9/1
Y1 - 2020/9/1
N2 - 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.
AB - 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.
KW - Adsorption
KW - Density functional theory
KW - Ion exchange resin
KW - Metaldehyde
KW - Sulfonic functional group
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U2 - 10.1016/j.molliq.2020.113555
DO - 10.1016/j.molliq.2020.113555
M3 - Article
AN - SCOPUS:85086577489
SN - 0167-7322
VL - 313
JO - Journal of Molecular Liquids
JF - Journal of Molecular Liquids
M1 - 113555
ER -