Modeling the fate of ionizable pharmaceutical and personal care products (iPPCPs) in soil-plant systems: pH and speciation.

A model was developed to simulate the pH-dependent speciation and fate of ionizable pharmaceutical and personal care products (iPPCPs) in soils and their plant uptake during thedt application of reclaimed wastewater to agricultural soils. The simulation showed that pH plays an important role in regulating the plant uptake of iPPCPs, i.e., ibuprofen (IBU; with a carboxylic group), triclosan (TCS; phenolic group), and fluoxetine (FXT; amine group) as model compounds. It took 89-487 days for various iPPCPs to reach the steady-state concentrations in soil and plant tissues. The simulated steady-state concentrations of iPPCPs in plant tissues at pH 9 is 2.2-2.3, 2.5-2.6, and 1.07-1.08 times that at pH 5 for IBU, TCS, and FXT, respectively. Assuming sorption only for neutral compounds led to miscalculation of iPPCPs concentrations in plant tissues by up to one and half orders magnitude. Efflux of compounds in soil, lettuce leaf, and soybean pods was primarily contributed by their degradation in soil and dilution due to plant tissue growth. Overall, the results demonstrated the importance of considering pH and speciation of iPPCPs when simulating their fate in the soil-plant system and plant uptake.