Experiments and numerical simulation on the degradation processes of carbamazepine and triclosan in surface water: A case study for the Shahe Stream, South China

Abstract

We examined the occurrence and fate of pharmaceuticals and personal care products in surface water by combining laboratory experiments with numerical simulations. The degradation processes of two typical PPCPs (triclosan and carbamazepine) collected from the Shahe Stream were studied. Hydrolysis, biodegradation, and photolysis were the three major routes of triclosan (TCS) and carbamazepine (CBZ) degradation. A central composite design method was used to investigate the effects of related natural parameters (including pH, dissolved oxygen, salinity, temperature, light intensity, and humic acid) on the TCS and CBZ degradation processes in the laboratory. Our results showed that the main degradation pathway of CBZ and TCS was direct photolysis during the daytime and that the maximal biodegradation rates of CBZ and TCS occurred at 22 °C when the optimum temperature function was used. Based on our experimental results, the observed degradation of CBZ and TCS followed pseudo-first-order kinetics, and the degradation kinetic equations under the influence of multiple natural parameters were established with estimated average degradation rate constants of 1.2452E-7 s^-1 and 3.1260E-5 s^-1 for CBZ and TCS, respectively. The degradation rate constants were incorporated into a one-dimensional, simply integrated hydrodynamic and water quality model. The proposed numerical model was applied to depict the transportation and transformation of CBZ and TCS in surface water and was validated by observational data from the Shahe Stream. The results showed that our model reproduced the observed patterns of CBZ and TCS concentrations reasonably, with slight overestimations compared to the observed data; the relative errors between the simulated and the observed concentrations were 5.85%-6.82% for CBZ and -156.85%--7.18% for TCS. According to our simulation, the spatial distribution of TCS in surface water was determined by biochemical degradation processes that were most affected by temperature under natural conditions; in contrast, the distribution of CBZ was largely controlled by diffusion.

Keywords: Degradation; Modelling; Pharmaceuticals and personal care products (PPCPs); Surface waters.