Semi-empirical supported, Ab initio derived thermodynamic properties for ClO2 and its sub and extended species, applied in water treatment cycles
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Date
Authors
Misheer, Natasha
Ndungu, Patrick
Pretorius, Jan A.
Journal Title
Journal ISSN
Volume Title
Publisher
Elsevier
Abstract
Please read abstract in the article.
Description
DATA AVAILABILITY :
The data used to support the findings of this study are included in the article and within the supplementary information file.
Keywords
Natural organic matter (NOM), Chlorine dioxide (ClO2), Gibbs ensemble Monte Carlo (GEMC), Semi-empirical quantum, Radicals, Ions, Water treatment cycles, SDG-06: Clean water and sanitation
Sustainable Development Goals
SDG-06:Clean water and sanitation
Citation
Misheer, N., Ndungu, P.G. & Pretorius, J.A. 2024, 'Semi-empirical supported, Ab initio derived thermodynamic properties for ClO2 and its sub and extended species, applied in water treatment cycles', Heliyon, vol. 10, no.20, art. e38796, pp. 1-15, doi : 10.1016/j.heliyon.2024.e38796.