The enzymatic degradation of organic pollutants is a promising and ecological method for the remediation of industrial effluents. 2,4,6-Trichlorophenol is a major pollutant in many residual waters, and its consumption has been linked to lymphomas, leukemia, and liver cancer. The goal of the present work is to comprehend the enzymatic degradation of 2,4,6-trichlorophenol using soybean peroxidase. Different assumptions for the kinetic model were evaluated, and the simulations were compared to experimental data, which was obtained in a microreactor. The literature pointed out that the bi-bi ping-pong model represents well the kinetics of soybean peroxidase degradation. Since it is a complex model, some reactions can be considered or not. Six different possibilities for the model were considered, regarding different combinations of the generated enzyme forms that depend on the hypotheses for simplifying the model. The adjustment of the models was compared based on different metrics, such as the value of the objective function, coefficient of determination and root-mean-square error. The process modeling was obtained by the mass balance of all the reaction components, and all the simulations were performed in MATLAB R2015a. Reaction parameters were estimated based on the weighted least squares between the experimental data set and the values predicted by the model. The results showed that the data were better adjusted by the model that considers all the enzyme forms, including enzyme inactivation. Therefore, a better comprehension of the reaction mechanism was achieved, which allows a more precise reactor project and process simulation.

有机污染物的酶促降解是一种很有前景的生态修复工业废水的方法。2,4,6-三氯苯酚是许多残留水中的主要污染物，它的消耗与淋巴瘤、白血病和肝癌有关。目前工作的目标是理解使用大豆过氧化物酶对 2,4,6-三氯苯酚的酶促降解。对动力学模型的不同假设进行了评估，并将模拟结果与在微反应器中获得的实验数据进行了比较。文献指出bi-bi ping-pong模型很好地代表了大豆过氧化物酶降解的动力学。由于它是一个复杂的模型，因此可以考虑或不考虑一些反应。考虑了模型的六种不同可能性，关于生成的酶形式的不同组合，这取决于简化模型的假设。模型的调整基于不同的指标进行比较，例如目标函数的值、确定系数和均方根误差。过程建模是通过所有反应组分的质量平衡获得的，所有的模拟都是在 MATLAB R2015a 中进行的。基于实验数据集和模型预测值之间的加权最小二乘法估计反应参数。结果表明，通过考虑所有酶形式（包括酶失活）的模型对数据进行了更好的调整。因此，可以更好地理解反应机理，从而可以进行更精确的反应器项目和过程模拟。