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Evaluation of Simple Treat 3.0 for two hydrophobic and slowly biodegradable chemicals: Polycyclic musks HHCB and AHTN

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Author: Artola-Garicano, E. · Hermens, J.L.M. · Vaes, W.H.J.
Source:Water Research, 18, 37, 4377-4384
Identifier: 237381
doi: doi:10.1016/S0043-1354(03)00434-2
Keywords: Packaging · Analytical research · Free concentration · Model evaluation · Polycylclic musks · Sewage treatment plant · Bacteriology · Biochemical oxygen demand · Biodegradation · Hydrophobicity · Risk assessment · Water analysis · Polycyclic compounds · Sewage treatment · 7 acetyl 1,1,3,4,4,6 hexahydro 4,6,6,7,8,8 hexamethylcyclopenta(g) 2 benzoapyrene · 7 acetyl 1,1,3,4,4,6 hexamethyltetrahydronaphthalene · benzo[a]pyrene derivative · naphthalene derivative · unclassified drug · biodegradation · biological treatment · hydrophobicity · sewage treatment · article · bacterial growth · biodegradability · chemical model · compartment model · evaluation · experimentation · hydrophobicity · measurement · prediction · priority journal · risk assessment · sewage treatment plant · water treatment · water vapor · Benzopyrans · Biodegradation, Environmental · Forecasting · Models, Theoretical · Risk Assessment · Sewage · Tetrahydronaphthalenes · Water Pollutants · Water Purification · Bacteria (microorganisms)


In the current study, predictions by Simple Treat 3.0, a fate model for organic chemicals in sewage treatment plants (STPs), are compared with actual measurements in three STPs. Two polycyclic musks, Tonalide® (AHTN) and Galaxolide® (HHCB), were used for model evaluation. Results show that Simple Treat 3.0 is able to predict the removal efficiency within a factor 4. Predicted concentrations of both chemicals within the different physical compartments of STPs show a high correlation (r 2=0.80) with experimental values. Although predicted free concentration levels were similar to previously reported experimental data, the trends along the compartments showed an inverse relationship. This bias of the model can be caused by an underestimation of BOD-removal (solids), or an overestimation of bacterial growth, evaporation, or a combination of these three factors. Results show that Simple Treat 3.0 is a valid tool for the risk assessment of slowly biodegradable chemicals, but still some adjustments of the model could be incorporated from a scientific point of view. © 2003 Elsevier Ltd. All rights reserved.