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

2024-10

Authors

Misheer, Natasha
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.

URI

http://hdl.handle.net/2263/98720

Collections

Research Articles (Chemistry)
Research Articles (Centre for the Advancement of Scholarship)
Research Articles (University of Pretoria)
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