Abstract: This paper developed a new kinetic model for catalytic reforming reactions based on the lumping theory and catalytic reforming reaction mechanisms.The developed model thoroughly analyzed the mutual reaction relationships among paraffin,cycloparaffin and aromatics,and covered most related reactions included in the continuous catalytic reforming progress.In order to resolve the challenges of the parameter estimation,the number of estimated parameters was decreased to 99 through reasonable supposition and the originally complex reaction network was split into several simpler sub-networks according to the number of carbon atoms.An iteration method combined of BFGS and SQP algorithms was then implemented to increase the accuracy of the parameter estimation.The developed model was used to simulate a continuous catalytic reforming reactor for verifying the model accuracy.And the simulation result showed that the model successfully predicted the reformate composition in the reactor and was proved to be able to meet the accuracy requirement of the industrial applications.

Key words: catalytic reforming, kinetic model, parameter estimation

摘要： 针对催化重整装置的流程模拟,基于集总理论与催化重整反应机理,提出了一种反应器的模型。该模型的反应网络较全面地考虑了烷烃、环烷烃及芳烃之间的反应关系,覆盖了重整反应过程中的大部分反应。为了降低参数估计的难度,通过合理假设将待估参数数量减少至99个,并将复杂的反应网络依据碳原子数划分为C₆~C₁₁₊六个反应子网络,再采用BFGS算法与SQP算法相结合的分组迭代估计方法以降低参数估计的误差。通过催化重整装置的模拟计算对模型进行了验证,结果表明,模型能够对反应产物组成进行较准确的预测,可满足现代工业应用对模型精度的需求。

关键词: 催化重整, 动力学模型, 参数估计