中文摘要：

以工业实测数据为基础,运用结构导向集总方法构造分子,对催化裂解原料油进行了分子尺度上的蒙特卡罗模拟.结果表明,Monte Carlo方法可以在分子尺度上实现对催化裂解原料很好的模拟.两种工况下原料的平均分子量、饱和烃、芳烃、胶质沥青、碳、氢、硫、氮含量等性质的计算值与实际值吻合,且由此产生的分子矩阵将为后续反应网络的建立打下基础.

英文摘要：

Based on the regular analytical data of the plant, the feedstocks of Deep Catalytic Cracking (DCC) on a molecular scale were simulated by the Monte Carlo method combined with Structural Oriented Lumping. The results show that Monte Carlo method can simulate the characters of the DCC feedstock on a molecular scale very well, and the predicted values of feedstock properties such as average molecular weight, saturated hydrocarbon content, aromatic content, resin content, asphaltene content, carbon content, hydrogen content, sulfur content and nitrogen content are in good agreement with the plant data during two operation states. Moreover, the molecular matrices formed in the process of Monte Carlo Simulation lay a foundation for modeling the reaction kinetics of DCC on a molecular scale.