Modelling the emerging pollutant diclofenac with the GREAT-ER model: Application to the Llobregat River Basin

Abstract

SUMMARY IN ENGLISHThis Master Thesis, firstly, gives a general overview of occurrence of emerging pollutants in river water. A deeper study has been made for the emerging contaminant diclofenac and its behaviour, from consumption to natural degradation and effects. In order to predict the fate of diclofenac in a real catchment area main characteristics of Llobregat River Basin in Spain have been described. Data gathering, about the pharmaceutical diclofenac and hydrologic aspects of the catchment, were one of the most laborious works, as it is explained along the thesis. GREAT-ER has been the chosen model to simulate diclofenac occurrence in Llobregat River. Since its use is very limited worldwide, a full explanation about GREAT-ER geo-referenced aquatic exposure assessment model is included in this report: program methodology, main concepts, input files and simulation approach. Simulation approach involved defining different scenarios and a calibration process which is specified in this paper. The results of this process and the derivate discussion mainly conclude in the future possible viability of the model. This Master Thesis is addressed to researchers involved in water risk assessment as well as to people who work with water modelling systems. However, it is also intended to reach people interested in learning about emerging contaminants, its effects and a methodology to combat them: modelling. SUMMARY IN SWEDISHDetta examensarbete ger först en generell översikt av gifter i vattendrag som ökar i förekomst. En djupare undersökning är gjord för den ökande föroreningen diclofenac, och dess påverkan från konsumtion till nedbrytning i naturen. För att förutse vägen för diclofenac i ett verkligt upptagningsområde har huvudegenskaperna från upptagningsområdet Llobregat i Spanien beskrivits. Informationsinsamling av läkemedels-diclofenac och hydrologiska data från upptagningsområdet har varit bland de mer arbetskärvande uppgifterna, vilket förklaras i arbetet. GREAT-ER har används som modell för att simulera förekomsten av diclofenac i vattnet i Llobregat-floden. Eftersom modellens användning är mycket begränsad världen över finns en fullständig beskrivning av GREAT-ER georefereras vattenlevande exponeringsbedömning modell i rapporten, med huvudbegrepp, in-filer och simuleringsmetod. Simuleringsmetoden berör fastställande av olika scenarion och kalibreringsprocessen som användes i arbetet. Resultaten av denna process och följande diskussion fastställer främst framtida möjligheter för modellen. Detta examensarbete är riktat till forskare inom riskbedömning för vattenflöden och personer som arbetar inom modellering av vattensystem. Det är även tänkt att nå personer intresserade av att lära sig om dessa gifter som ökar i förekomst, med dess påverkan och metoder för att bekämpa dem. SUMMARY IN SPANISHEste Proyecto Final de Carrera, en primer lugar, ofrece una visión general de los contaminantes emergentes en aguas de ríos y el conflicto que supone. Además, se profundiza en el conocimiento del comportamiento del cont...

Towards spatially smart abatement of human pharmaceuticals in surface waters: Defining impact of sewage treatment plants on susceptible functions

“…A modeling effort on local scale for the Po river (Italy), from a single STP, resulted in predicted surface water concentrations of amongst others carbamazepine within a range of 0.5e2 of measured concentrations (Verlicchi et al, 2014). In a study on the Llobregat river (Spain), measured diclofenac concentrations were within a factor 0.9 e 1.6 to predicted results (Aldekoa et al, 2013).…”

“…Loos et al, 2013Loos et al, , 2010Loos et al, , 2009Monteiro and Boxall, 2010). Modeling efforts are somewhat more scarce (Aldekoa et al, 2013;Alder et al, 2010;Johnson et al, 2013;Ort et al, 2009;Pistocchi et al, 2012;Ter Laak et al, 2010;Verlicchi et al, 2014). As concentrations of individual compounds and their derivatives are relatively low in drinking water and its sources (ng/L to mg/L), for individual compounds or simple mixtures of known compounds adverse human health effects are not expected (Bruce et al, 2010;De Jongh et al, 2012;Houtman et al, 2014;Schriks et al, 2010).…”

“…Consumption-based modeling, also for the selected pharmaceuticals, was performed in earlier studies (Aldekoa et al, 2013;Celle-Jeanton et al, 2014;Hut et al, 2013;Johnson et al, 2013;Kehrein et al, 2014;Kugathas et al, 2012;Oosterhuis et al, 2013;Ter Laak et al, 2014Verlicchi et al, 2014), mostly on a river-basin scale and for non-extreme conditions. MEC/PEC ratios in these studies are generally in good agreement.…”

Application of the GREAT-ER model for environmental risk assessment of nonylphenol and nonylphenol ethoxylates in China

“…By establishing a European digital river network based on input data including hydrological data, emission information, and other parameters, GREAT-ER has been successfully used to simulate environmental concentrations and assess the environmental risks of surfactants such as alkylbenzene sulfonate (Fox et al 2000), drugs such as ethinyl estradiol and aspirin (Schowanek and Webb 2002), and EDCs such as estradiol and estrogen estrone (Sabaliunas et al 2003;Sumpter et al 2006). GREAT-ER is also used to simulate emerging contaminants diclofenac in Spain recently (Aldekoa et al 2013). In 2012, a new version of the model with the first open source software for a river catchment self-establishment was published (i.e., GREAT-ER 3.0), providing a valuable opportunity and technical support for its worldwide application (Schowanek et al 2012).…”

Fluoroquinolones in the Wenyu River catchment, China: Occurrence simulation and risk assessment

“…During the development phase, the model has proven to be stable and reliable by principle analysis and monitoring verification [24,31]. The model has been applied successfully to a variety of PPCPs (e.g., Linear Alkylbenzene Sulfonate, diclofenac, triclosan, aspirin, and b-blockers) in several European rivers, such as the Ruhr River Basin [29], the Itter catchment [32], the River Aire [27,[33][34], the Llobregat River Basin [35], and the Glatt Valley watershed [36] showing its applicability and reliability. In the present study, GREAT-ER Ver 3.0 [23] was used for a localized application in the Wenyu River in China.…”