八碳芳烃临氢异构化反应动力学模型

针对某实际工业异构化装置,在已开发的八碳芳烃临氢异构化反应网络的基础上,将系统中的八碳环烷烃和八碳链烷烃作为一个集总组分,提出新的六组分异构化反应网络,由此建立了适用于工业生产的八碳芳烃临氢异构化反应动力学模型.考虑结焦对催化剂活性的影响,提出了一种经验形式的催化剂失活函数,能够合理地描述催化剂失活过程.采用四五阶Runge-Kutta法对模型方程进行数值求解,基于多套稳态平衡数据采用差分变尺度优化算法(BFGS)对动力学参数进行估计,进而在不同操作条件下对模型进行验证.结果表明估计值与工业标定值相当吻合,达到了工业应用的模拟精度要求.

Kinetic Model for Hydroisomerization Reaction of C8-Aromatics

Based on the reported reaction networks, a novel six components hydroisomerization reaction network with a new lumped species including C8-naphthenes and C8-paraffins was proposed and a kinetic model for commercial unit was also developed. An empirical catalyst deactivation function was incorporated into the model to account the loss in activity because of coke formation on the catalyst surface during the long-term operation. The Runge-Kutta method was used to solve the ordinary differential equations of the model. The reaction kinetic parameters were benchmarked with several sets of balanced plant data and estimated by the differential variable metric optimization method(BFGS). The kinetic model was validated by an industrial unit with sets of plant data at different operation conditions and simulation results show a good agreement between the model predictions and plant observations.