title: Estimating the persistence of organic contaminants in indirect potable reuse systems using quantitative structure activity relationship (QSAR).
abstract: Predictions from the quantitative structure activity relationship (QSAR) model EPI Suite were modified to estimate the persistence of organic contaminants in indirect potable reuse systems. The modified prediction included the effects of sorption, biodegradation, and oxidation that may occur during sub-surface transport. A retardation factor was used to simulate the mobility of adsorbed compounds during sub-surface transport to a recovery well. A set of compounds with measured persistent properties during sub-surface transport was used to validate the results of the modifications to the predictions of EPI Suite. A comparison of the predicted values and measured values was done and the residual sum of the squares showed the importance of including oxidation and sorption. Sorption was the most important factor to include in predicting the fates of organic chemicals in the sub-surface environment.
authors: Research Division for Industry & Environment, Korea Atomic Energy Research Institute, 1266 Sinjeong, Jeongeup, 580-185, Republic of Korea. seungjoolim@gmail.com
authors: Seung Joo
authors: SJ
authors: Lim
authors: Peter
authors: P
authors: Fox
mesh_terms: D060766:Drinking Water / Q000032:analysis*; D009930:Organic Chemicals / Q000032:analysis*; D021281:Quantitative Structure-Activity Relationship; D014874:Water Pollutants, Chemical / Q000032:analysis*
chemical_list: D060766:Drinking Water; D009930:Organic Chemicals; D014874:Water Pollutants, Chemical