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.