Department of Chemical and Environmental Technology, Universidad Rey Juan Carlos, Madrid, Spain.
Water Sci Technol. 2010;61(6):1547-53. doi: 10.2166/wst.2010.057.
This work analyzes the kinetic modelling of the photocatalytic inactivation of E. coli in water using different types of kinetic models; from an empirical equation to an intrinsic kinetic model including explicit radiation absorption effects. Simple empirical equations lead to lower fitting errors, but require a total of 12 parameters to reproduce the results of four inactivation curves when the catalyst concentration was increased. Moreover, these parameters have no physical meaning and cannot be extrapolated to different experimental conditions. The use of a pseudo-mechanistic model based on a simplified reaction mechanism reduces the number of required kinetic parameters to 6, being the kinetic constant the only parameter that depends on the catalyst concentration. Finally, a simple modification of a kinetic model based on the intrinsic mechanism of photocatalytic reactions including explicit radiation absorption effects achieved the fitting of all the experiments with only three parameters. The main advantage of this approach is that the kinetic parameters estimated for the model become independent of the irradiation form, as well as the reactor size and its geometrical configuration, providing the necessary information for scaling-up and design of commercial-scale photoreactors for water disinfection.
本工作分析了使用不同类型动力学模型(从经验方程到包括显式辐射吸收效应的本征动力学模型)对水中大肠杆菌光催化灭活的动力学建模。简单的经验方程导致较低的拟合误差,但当催化剂浓度增加时,需要总共 12 个参数才能重现四条灭活曲线的结果。此外,这些参数没有物理意义,不能外推到不同的实验条件。基于简化反应机制的拟动力模型的使用将所需的动力学参数数量减少到 6 个,动力学常数是唯一依赖于催化剂浓度的参数。最后,对基于光催化反应本征机制的动力学模型进行简单修改,包括显式辐射吸收效应,仅用三个参数即可拟合所有实验。这种方法的主要优点是,为模型估计的动力学参数不再依赖于照射形式以及反应器的尺寸和几何结构,为水消毒用商业规模光反应器的放大和设计提供了必要的信息。