对苯二甲酸加氢精制反应器数学模型及计算

Mathematical Model of Reactor for Hydrorefining of Terephthalic Acid and Its Calculation

在宏观动力学模型基础上,按气液固三相反应的原理,建立了包括液固传质阻力在内的对苯二甲酸(TA)加氢精制宏观动力学模型,并参考有关传质关联方程,估算了该宏观动力学模型中液固相间的传质系数;按平推流流动模型和绝热反应器简化假设,建立了TA加氢精制固定床反应器数学模型;根据实际生产数据,对数学模型中氢气在TA溶液中溶解的浓度项进行了修正;提出了TA加氢精制固定床反应器反应温度、气相中氢气分压、操作压力和液相进料中TA的含量等条件的选择依据和计算方法。模型计算值与实际生产数据偏差较小,所建立的TA加氢精制固定床反应器数学模型可供TA加氢精制工艺条件优化和反应器放大设计参考。

A modified macrokinetics model for hydrorefining of terephthalic acid（TA）was established on basis of macrokinetics model without liquid - solid mass transfer resistance. The liquid - solid mass transfer coefficient in modified macrokinetics model was estimated referring to relative mass transfer correlations. A mathematical model of the fixed - bed reactor for hydrorefining of TA was developed in terms of hypothesis of plug flow and adiabatic reactor. Concentration item of hydrogen in TA solution in model was corrected according to actual production data. Considerations to select and to calculate reaction temperature, operation pressure, partial pressure of hydrogen and TA inlet concentration were put forward. Adiabatic temperature rise of reactor, hydrogen consumption and catalyst loading amount in a pure terephthalic acid （PTA）commercial installation （450 kt/a） were calculated according to the established mathematical model and the obtained results were compared with actual production data. Errors between calculated values and the actual data were relatively small. The established mathematical model could provide as a reference for optimization of technological conditions and scaling - up of the reactor.