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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| dc.contributor.author | Misheer, Natasha
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| dc.contributor.author | Ndungu, Patrick
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| dc.contributor.author | Pretorius, Jan A.
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| dc.date.accessioned | 2024-10-23T07:12:15Z | |
| dc.date.available | 2024-10-23T07:12:15Z | |
| dc.date.issued | 2024-10 | |
| dc.description | DATA AVAILABILITY : The data used to support the findings of this study are included in the article and within the supplementary information file. | en_US |
| dc.description.abstract | Please read abstract in the article. | en_US |
| dc.description.department | Centre for the Advancement of Scholarship | en_US |
| dc.description.department | Chemistry | en_US |
| dc.description.librarian | hj2024 | en_US |
| dc.description.sdg | SDG-06:Clean water and sanitation | en_US |
| dc.description.sponsorship | The Faculty of Natural and Agricultural Sciences, at the University of Pretoria. | en_US |
| dc.description.uri | http://www.cell.com/heliyon | en_US |
| dc.identifier.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. | en_US |
| dc.identifier.issn | 2405-8440 (online) | |
| dc.identifier.other | 10.1016/j.heliyon.2024.e38796 | |
| dc.identifier.uri | http://hdl.handle.net/2263/98720 | |
| dc.language.iso | en | en_US |
| dc.publisher | Elsevier | en_US |
| dc.rights | © 2024 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/). | en_US |
| dc.subject | Natural organic matter (NOM) | en_US |
| dc.subject | Chlorine dioxide (ClO2) | en_US |
| dc.subject | Gibbs ensemble Monte Carlo (GEMC) | en_US |
| dc.subject | Semi-empirical quantum | en_US |
| dc.subject | Radicals | en_US |
| dc.subject | Ions | en_US |
| dc.subject | Water treatment cycles | en_US |
| dc.subject | SDG-06: Clean water and sanitation | en_US |
| dc.title | Semi-empirical supported, Ab initio derived thermodynamic properties for ClO2 and its sub and extended species, applied in water treatment cycles | en_US |
| dc.type | Article | en_US |
