title: Kinetic study of antibiotic ciprofloxacin ozonation by MWCNT/MnO2 using Monte Carlo simulation.
abstract: Kinetic Monte Carlo simulation was used to investigate kinetics of antibiotic ciprofloxacin degradation by direct and heterogeneous catalytic (MnO2 and carbon nano-tube loaded with MnO2) ozonation. The reaction kinetic mechanisms of each system have been obtained. The rate constant values for the each step of the reaction mechanisms were attained as adjustable parameters by kinetic Monte Carlo simulation. The carbon nano-tube loaded with MnO2 plays important role as catalyst in the ciprofloxacin ozonation by increasing reactivity of ozone and ciprofloxacin drug on the surface of carbon nano-tube. Optimized amount of ozone and catalysts were obtained via studying the effect of inlet ozone concentration and initial amount of catalyst on the rate of ciprofloxacin degradation using Monte Carlo simulation. The simulation results of this study have reasonably agreement with the present experimental data for the ozonation of ciprofloxacin drug.
authors.affiliation: Department of Physical Chemistry, Faculty of Chemistry, University of Kashan, Kashan, Iran. Electronic address: Haamedmoradmandjalali@gmail.com.
authors.forename: Hamed Moradmand
authors.initials: HM
authors.lastname: Jalali
mesh_terms: D002939:Ciprofloxacin / Q000737:chemistry*; D003198:Computer Simulation; D052918:Environmental Restoration and Remediation; D007700:Kinetics; D017895:Manganese Compounds / Q000737:chemistry*; D009010:Monte Carlo Method; D037742:Nanotubes, Carbon / Q000737:chemistry*; D010087:Oxides / Q000737:chemistry*; D010126:Ozone / Q000737:chemistry*; D014874:Water Pollutants, Chemical / Q000737:chemistry
chemical_list: D017895:Manganese Compounds; D037742:Nanotubes, Carbon; D010087:Oxides; D014874:Water Pollutants, Chemical; D002939:Ciprofloxacin; D010126:Ozone; C016552:manganese dioxide
keywords: Carbon nanotube; Ciprofloxacin drug; Kinetic simulation; MnO(2); Monte Carlo; Ozonation