13种抗生素的水性混合物的去除动力学(即,氨苄青霉素,头孢呋辛,环丙沙星,氟美喹,甲硝唑,氧氟沙星,土霉素,磺胺二甲氧嘧啶,磺胺甲恶唑,磺胺二甲嘧啶,四环素,甲氧苄啶和泰乐菌素)通过批量UVC和UVC/H2O2工艺进行了建模。首先,摩尔吸光系数(ε),确定了每种抗生素的直接量子产率(Φ)和抗生素与羟基自由基反应的速率常数(kHO•)(模型输入),并与文献数据进行了比较。对于ε,这些参数的值范围为0.3至21.8mM-1cm-1,Φ<0.01至67.8mmol·E-1,kHO·为3.8×109至1.7×1010M-1s-1。第二,建立了一个回归模型,以根据在处理抗生素混合物的分批UVC实验中获得的实验数据来计算抗生素与单线态氧(k1O2)反应的速率常数。对于所研究的抗生素,获得了1-50×106M-1s-1范围内的k1O2值。最后,求解包含一组常微分方程的半经验动力学模型,以模拟完全混合间歇式光反应器中抗生素和过氧化氢残留浓度的演变(模型输出)。模型预测与实验数据合理一致。所开发的动力学模型可以与计算流体动力学相结合,以预测UVC和UVC/H2O2应用中的工艺性能和能耗。
The removal kinetics of an aqueous mixture of thirteen antibiotics (i.e., ampicillin, cefuroxime, ciprofloxacin, flumequine, metronidazole, ofloxacin, oxytetracycline, sulfadimethoxine, sulfamethoxazole, sulfamethazine, tetracycline, trimethoprim and tylosin) by batch UVC and UVC/H2O2 processes has been modeled in this work. First, molar absorption coefficients (ε), direct quantum yields (Φ) and the rate constants of the reaction of antibiotics with hydroxyl radical (kHO•) (model inputs) were determined for each antibiotic and compared with literature data. The values of these parameters range from 0.3 to 21.8 mM-1 cm-1 for ε, < 0.01 to 67.8 mmol·E-1 for Φ and 3.8 × 109 to 1.7 × 1010 M-1 s-1 for kHO•. Second, a regression model was developed to compute the rate constants of the reactions of the antibiotics with singlet oxygen (k1O₂) from experimental data obtained in batch UVC experiments treating a mixture of the antibiotics. k1O₂ values in the 1-50 × 106 M-1 s-1 range were obtained for the antibiotics studied. Finally, a semi-empirical kinetic model comprising a set of ordinary differential equations was solved to simulate the evolution of the residual concentration of antibiotics and hydrogen peroxide (model outputs) in a completely mixed batch photoreactor. Model predictions were reasonably consistent with the experimental data. The kinetic model developed might be combined with computational fluid dynamics to predict process performance and energy consumption in UVC and UVC/H2O2 applications at full scale.