Naslov
Photooxidative degradation of priority pollutants: A modeling approach

Autori
Cvetnić, Matija ; Bolanča, Tomislav ; Ukić, Šime ; Kušić, Hrvoje ; Lončarić Božić, Ana

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, ostalo

Izvornik
Book of abstract 1st international conference food & climate change / Šamec, Dunja ; Šarkanj, Bojan ; Sviličić Petrić, Ines - Koprivnica : Sveučilište Sjever, 2021, 28-28

ISBN
978-953-7986-31-5

Skup
1st international conference Food and Climate Change

Mjesto i datum
Koprivnica, Hrvatska, 15.10.2021. - 16.10.2021

Vrsta sudjelovanja
Pozvano predavanje

Vrsta recenzije
Nije recenziran

Ključne riječi
priority pollutants, response surface modeling, mathematical-mechanistic modeling, QSAR modeling

Sažetak
The EU Water Framework Directive defines a water pollution strategy in the EU. It contains a list of priority pollutants. Those are chemicals of emerging concern and represent significant risk for water environment. Due to the very nature of these chemicals, advanced oxidation processes (AOPs) are proposed for their removal from the water. AOPs are based on creation of highly reactive radicals. In that purpose, UV-C/H2O2 or UV-C/S2O82- processes were applied. For determination of optimal conditions of the degradation processes and for explanation of the degradation mechanism but also to envision the environmental aspects inside or outside the field of study (without new experiments), modeling approach is considered. The modeling was based on statistical and empirical approaches, such as response surfaces modeling (RSM), but phenomenological approaches based on mathematical-mechanistic (MM) modeling were applied as well. RSM is used as a tool for analyzing the influence of key process-parameters on process efficiency and determination of optimal conditions in the investigated area. These key parameters are pH- value of the solution and the initial concentration ratio pollutant/oxidant. RSM is applied for assessment of the impacts of process parameters, but does not include information on specific chemistry within the system, nor on degradation mechanism of targeted POs. MM models are developed in order to describe the processes chemistry and phenomena occurring during POs degradation and to allow the prediction of system behavior beyond the range of examined process parameters. In order to increase the scope of the cases that involves modeling, quantitative structure-activity relationship modeling was applied.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Interdisciplinarne prirodne znanosti, Interdisciplinarne tehničke znanosti

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