相转移催化剂对催化柴油氧化脱硫作用的数学模型

经过顺序氧化反应动力学方程、相转移催化剂强化作用数学模型方程和萃取相平衡方程的推导，确定了催化柴油氧化萃取脱硫数学模型方程。研究表明，呈指数函数形式的相转移催化剂作用数学模型具有较高的计算精度。通过模型参数估值确定了氧化速率常数的频率因子和活化能、相平衡常数、相转移催化剂作用模型参数，建立了脱硫率数学模型。模型预测显示，柴油脱硫率随着氧化时间延长呈先提高后降低的趋势；氧化时间较短时，柴油脱硫率随相转移催化剂用量提高而增大，但氧化时间较长时的情况相反；柴油脱硫率随着氧化溶液体积分数增大或萃取剂与油比增大均呈提高的趋势。

Mathematical modeling of catalytic oxidation desulfurization of FCC diesel by phase transfer catalyst

The mathematical model was studied for the intensification of FCC diesel catalytic oxidation desulfurization by phase transfer catalyst. The mathematical model of diesel desulfurization was established based on the kinetic equations for oxidation reaction of organosulfur compounds, the model equation of intensification for phase transfer catalyst and the equation of sulfides liquid liquid phase equilibrium. It is found that the modeling result of intensification for phase transfer catalyst is precise in the form of exponential function. The model parameters of intensification for phase transfer catalyst, the activation energy and frequency factor of sulfide oxidation reaction, the phase equilibrium constant for solvent extraction are determined through parameter estimation by use of the experimental data of diesel desulfurization. The model prediction shows that the desulfurization degree of FCC diesel changes with the oxidation time. If the oxidation time is short, the desulfurization degree increases with the increase of the amount of phase transfer catalyst. But the desulfurization degree lowers if the oxidation time is longer. The desulfurization degree of FCC diesel increases with increasing the volumetric fraction of oxidation solution or the ratio of extraction solvent to diesel.