Abstract: With the popularity of modernization and greening the concept of chemical industry, oxidation process, especially the new oxidation process, occupied an increasing proportion in the current process. However, most of the oxidation reactions were strong exothermic reactions, and the materials involved in the reactions were often unstable. In order to prevent the occurrence of reaction accidents, it was necessary to conduct a systematic study on the safety of reaction. A semi-intermittent dynamic reactor model with control condition was established by using process simulation method for liquid-phase oxidation. The structure, heat transfer setting and process control setting scheme of the reactor model were introduced. The epoxidation of propylene was simulated, the kinetic parameters and reactor parameters were set up. The reactor parameters were calculated by simulating the normal reaction process, demonstrating that the reaction was carried out under normal conditions. Based on the established model, the risk of multi-scene reaction under the conditions of closed insulation, cooling failure and cooling water control valve failure was simulated. The changes of temperature and pressure in the reactor and the composition of the material in the reactor were obtained, which provided data and technical support for making reasonable safety control measures in the follow-up work.

Key words: Liquid phase oxidation, Reaction hazard, Process simulation, Semi batch reactor

摘要： 随着化工工业现代化、绿色化概念的普及，氧化工艺特别是新型氧化工艺在当前工艺中所占比重日益增加，但氧化反应多为强放热反应，反应所涉及的物料往往也具有不稳定性. 为防止反应安全事故的发生，有必要进行系统的反应安全性研究. 针对液相氧化反应，本工作利用流程模拟手段，建立了带控制条件的半间歇动态反应器模型. 介绍了反应器模型的结构、传热设置和工艺控制设置方案. 选择丙烯环氧化反应开展了模拟研究，设置了相关的动力学参数和反应器参数. 通过模拟正常反应过程对设计的反应器参数进行核算，证明在正常工艺条件下可保证反应平稳进行. 利用所建立的模型模拟了密闭绝热、冷却失效和冷却水调节阀故障条件下的多场景反应危险性，得到了各场景下反应器温度、压力和反应器内物料组成的变化曲线，为后续工作中制定合理的安全控制措施提供数据支持.

关键词: 液相氧化反应, 反应危险性, 流程模拟, 半间歇反应器