A semi-batch reactor is used to produce nitriles by reacting fatty acids and ammonia. Despite it is an old chemical process and many patents are available in the literature, its mathematical model was not developed until now. This process comprises a semi-batch reactor with recycle, which makes the numerical solution a challenge to face. In this paper, the entire process has been computer simulated for the very first time. Aspen Plus software was used to find the initial condition for the set of differential algebraic equations, which will be solved by Aspen Plus Dynamics, the key tool to ensure that the entire batch cycle could be properly programmed. Besides that, PI controllers were implemented to guarantee normal and safety operation of the process evaluated, in other words, controllers performed well in tracking pressure and composition profiles, target conversion for the desired product and level behavior. The simulated results were validated with industrial data and opportunities for improving the process were evaluated. The main result was a reduction in batch cycle time for around 40 min.

半间歇式反应器用于通过使脂肪酸和氨反应来生产腈。尽管它是一个古老的化学过程，并且在文献中有许多专利，但是它的数学模型直到现在才被开发出来。该过程包括具有再循环的半间歇反应器，这使得数值解面临挑战。本文首次对整个过程进行了计算机模拟。使用Aspen Plus软件查找微分代数方程组的初始条件，这将由Aspen Plus Dynamics解决，Aspen Plus Dynamics是确保可以正确编程整个批生产周期的关键工具。除此之外，还实施了PI控制器，以确保所评估过程的正常和安全运行，换句话说，控制器在跟踪压力和成分曲线，所需产品的目标转化率和液位行为方面表现良好。通过工业数据验证了仿真结果，并评估了改进工艺的机会。主要结果是减少了约40分钟的批处理周期时间。