Abstract
Kinetic Monte Carlo modeling was employed as a powerful tool to kinetically investigate of antibiotics removal by photo-Fenton process (iron(III) citrate/ hydrogen peroxide in the presence of UV irradiation). Sulfamethazine, ciprofloxacin, sulfathiazole and amoxicillin are the antibiotics which were studied in this investigation. The kinetic mechanism of the photo-Fenton degradation was found by Monte Carlo simulation for several studied antibiotics including sulfamethazine, ciprofloxacin, sulfathiazole and amoxicillin. Also the rate constants values of each step in the suggested mechanism were acquired for these antibiotics through the simulation. Optimized values of Fe(III) citrate and hydrogen peroxide were attained through obtaining the effect of their initial amounts on the rate of antibiotics elimination by utilizing kinetic Monte Carlo simulation. The perfect agreement is observed between the simulation results and the experimental photo-Fenton data for the systems above.
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