重油催化裂化反应动力学分子模型的研究

A MOLECULAR MODEL OF REACTION KINETICS FOR HEAVY OIL CATALYTIC CRACKING

在建立的等效分子系综基础上 ,采用无向图进一步使分子结构明晰。结合模型化合物反应规律和引入碳中心方法 ,应用MonteCarlo方法建立了国产重油催化裂化分子反应动力学模型。模拟结果与试验数据能较好地吻合。模型中将热裂解和催化反应分开考虑 ,将催化剂划分系综 ,增强了模型的科学性 ;但模型对催化剂的表征和缩合生焦方面欠完善 ,有待进一步改进。

The molecular structure was expressed explicitly by using dimensionless graph on the basis of the stochastic assembly of heavy oils. The molecular model of reaction kinetics for heavy oil catalytic cracking was developed in combination with the model compound reaction rules and the carbon center approach, using Monte Carlo program. The predicted results by the proposed model were coincident with the experimental data. The proposed model was characterized by considering thermal cracking and catalytic cracking respectively and introducing the concept of catalyst assembly, therefore it is more scientific.