过氧叔丁醇合成热风险的模拟研究  

Simulation Study on Thermal Risk of Synthesis of tert-Butyl Peroxide

作　　者：刘洋 黎伟欣 周仁杰 龚子洋 崔晓花 胡继文[1,2] 桂雪峰 LIU Yang;LI Weixin;ZHOU Renjie;GONG Ziyang;CUI Xiaohua;HU Jiwen;GUI Xuefeng(Guangzhou Institute of Chemistry,Chinese Academy of Sciences,CAS Engineering Laboratory for Special Fine Chemicals,Guangzhou 510650,China;Management Committee of Shaoguan NanXiong Hi-teac Industry Development Zone,CASH GCC Shaoguan Research Institute of Advanced Materials,Nanxiong 512400,China;University of Chinese Academy of Sciences,Beijing 100049,China)

机构地区：[1]中国科学院广州化学研究所中国科学院新型特种精细化学品工程实验室,广东广州510650 [2]国科广化韶关新材料研究院国科广化(南雄)新材料研究院有限公司,广东南雄512400 [3]中国科学院大学,北京100049

出　　处：《广州化学》2024年第4期12-16,I0001,F0003,共7页Guangzhou Chemistry

基　　金：国家自然科学基金(51173204、51503124、21404121、214041222);广东省科学技术专项基金(201909146221089);广州市科学技术项目(202102021194);清远科技项目(2022YFJH004)。

摘　　要：研究了间歇反应器合成过氧叔丁醇(TBHP)的热失控行为,以反应温度作为主要研究变量,构建反应动力学模型并采用Aspen Plus软件对合成过程进行模拟。结果表明发生热失控后反应器温度最高接近120℃,实验探讨了操作参数的影响,发现随初始温度(T_0)、投料H_(2)O_(2)占比、操作压力的增加,热失控发生的越快。同时讨论了冷却的临界条件,冷却因子UA在4.39×10^(5)~5.65×10^(5) kJ/(h·℃)之间。This article investigates the thermal runaway behavior in the synthesis of tert-butyl peroxide(TBHP)using a batch reactor.Focusing on the reaction temperature,a kinetic model is constructed,and the Aspen Plus software is employed to simulate the synthesis process.The results indicate that the reactor temperature reaches a maximum of around 120℃after a thermal runaway.Experimental exploration of the influence of operating parameters reveals that the occurrence of thermal runaway accelerates with increasing initial temperature(T0),hydrogen peroxide(H_(2)O2)proportion in the feed,and operating pressure.The critical conditions for cooling are also discussed,and it is found that the cooling factor UA should be between 4.39×105 kJ/(h·℃)and 5.65×105 kJ/(h·℃).

关 键 词：TBHP合成 热失控 Aspen Plus 流程模拟 冷却临界因子 

分 类 号：O69[理学—化学]