在深入研究催化裂解反应机理的基础上,采用结构导向集总方法制定各分子的反应规则,并结合Monte Carlo方法建立了分子尺度的催化裂解反应动力学模型。两种工况条件下的模拟结果表明:产品产率和汽油性质与实际值能较好地拟合,模型具有较好的适应性和外推性。
Based on the reaction mechanism of deep catalytic cracking (DCC), reaction rules for all sorts of hydrocarbon molecules were established according to structural oriented lumping method. A molecular kinetics model for DCC was established by means of Monte Carlo simulation combined with structural oriented lumping. The results show that the simulation data for product yields and gasoline properties are in good agreement with the plant data in the conditions of two operating states and the model has good prediction and extrapolation performance.