甲苯法己内酰胺反应单元的动态模拟

Dynamic Simulation of Reaction Unit in the Production of Caprolactam from Toluene

甲苯法是己内酰胺各种工艺中较为先进的一种。为了深入了解这种工艺并为国内生产厂家提供生产操作的理论依据 ,本文建立了内酰胺化反应器、预混合器和水解反应器的数学模型 ,对该工艺的重点部分 内酰胺化反应单元进行了动态模拟。首先 ,通过研究内酰胺化反应机理 ,推导出了反应动力学方程 ,发现此反应为一级反应 ,反应速率同混合酸酐的浓度成正比。其次 ,热量衡算时 ,将标准状态下单质的焓定义为所有组分的基准焓 ,不再需要反应热数据。最后 ,以质量传递为基础建立了相平衡模型 ,具有算法稳定、运算速度快和计算精度高的优点。模拟结果表明 。

Toluene method is one of the most advanced caprolactam technics. In order to deeply understand it and to provide theoretical operation basis for home manufactory, the lactamization reactor, premixer and hydrolysis reactor models are built and the dynamic simulation of lactamization unit, the key unit of this caprolactam process, is made. Firstly,the reaction mechanism of lactamization is studied and its kinetic equation is educed,which indicates that the reaction rate is first order to the concentration of mixed acid anhydride. Secondly, the enthalpy of elementary substance under standard state is defined as the criterion of component enthalpy, thus reaction heat is no longer needed in energy balance. Finally, a phase equilibrium model based on mass transfer is built, which has such advantages as stable algorithm, fast computation and high accuracy. The simulation result shows that this model can give a good description of operation behavior to lactamization reactor.