Record nummer 2011475
Titel artikel On a QSAR approach for the prediction of priority compound degradation by water treatment processes
Auteur(s) Wols, B.A. ; Vries, D.
Tijdschrifttitel Water science and technology : a journal of the International Association on Water Pollution Research
Deel(Jaar)Nummer 66(2012)7
Paginering 1446 - 1453
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Trefwoorden (cab) watervoorziening / waterzuivering / chemicaliën / verontreinigende stoffen / verwijdering / structuuractiviteitsrelaties / fysicochemische eigenschappen / chemische structuur / waterstofperoxide / modellen
Rubrieken Watervoorziening
Publicatie type Artikel
Taal Engels
Toelichting (Engels) Emerging (chemical) substances are increasingly found in water sources and must be removed by water treatment systems. However, the treatment efficiency regarding these substances is often unknown. A promising approach is using QSARs (quantitative structure activity relationships) or QSPRs (quantitative structure property relationships) to correlate the existing knowledge of a compound's chemical structure to water treatment process properties, such as a biological activity or physico-chemical property. As UV/hydrogen peroxide treatment of water is an important barrier against priority pollutants, a QSAR model has been developed for the prediction of a typical physico-chemical property: i.e. hydroxyl radical reaction constants. Hydroxyl radicals are highly reactive and therefore largely responsible for a compound's degradation during UV/hydrogen peroxide treatment. A good correlation is found for the training data set.
Betrokken instanties KWR, Watercycle Research Institute
Technische Universiteit Delft, Faculteit Civiele Techniek en Geowetenschappen
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