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    芳烃联合装置甲苯歧化反应过程模拟系统开发

    Development of specific simulation system for the reaction process of toluene disproportionation for aromatics complex

    • 摘要: 为了实现对芳烃联合装置中甲苯歧化和C9芳烃烷基转移反应过程的准确模拟计算,本文开展以下工作:首先,采用温度变量线性回归法,建立热力学物性计算模型;针对反应体系,进一步考虑三类副反应:茚满和萘的开环、丁烷与戊烷的加氢裂化、缩合反应;基于国产HAT-099催化剂,建立包含16个集总和23个反应的网络模型,并在反应网络中考虑了催化剂失活的影响,包括催化剂活性系数和催化剂使用时间,构建反应动力学计算模型。然后,基于Cape-Open标准和C++语言,建立两个串联的双径向平推流反应器模块,并集成到流程模拟软件OPEN中,形成甲苯歧化反应过程模拟系统。最后采用工厂数据检验系统,对比十组计算值与实际值。结果表明:计算结果与工艺数据基本一致,产品组成与反应器出口温度的模拟值与实际值的平均相对偏差都在2%以内,说明开发的模拟系统可进行较为准确的模拟计算。研究结论为芳烃联合装置甲苯歧化反应过程的工业生产和运行优化提供参考。

       

      Abstract: To achieve accurate simulation of the toluene disproportionation and C9 aromatics transalkylation processes in an aromatics complex, this study carried out the following work. First, using the temperature-variable linear regression method, a thermodynamic property calculation model was established. For the reaction system, three types of side reactions were further considered: ring-opening of indane and naphthalene, hydrocracking of butane and pentane, and condensation reactions. Based on the domestic HAT-099 catalyst, a network model with 16 lumps and 23 reactions was established. Catalyst deactivation effects, including the activity coefficient and service time of the catalyst, were considered in the network. A reaction kinetic calculation model was then built. Then, following the Cape-Open standard and using C++, two series-connected double-radial plug-flow reactor modules were built. These modules were integrated into the process simulation software OPEN, forming a simulation system for the toluene disproportionation process. Finally, the system was tested using plant data. Ten sets of calculated values were compared with actual values. The results showed good agreement between simulation and plant data: the average relative deviations (ARD) of product composition and reactor outlet temperature were all within 2%, demonstrating that the developed simulation system can perform accurate predictive calculations. The research findings offer valuable references for optimizing the industrial production and operation of the toluene disproportionation reaction process within the aromatic complex.

       

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