环己基苯过氧化反应机理与动力学研究

Mechanism and Kinetics of Cyclohexylbenzene Peroxidation

在100~115℃的温度内,以一定含量的环己基苯过氧化氢为引发剂,在排除传质的条件下考察了引发剂浓度和温度对环己基苯液相过氧化的影响。结果发现环己基苯的转化率和环己基苯过氧化氢的选择性受温度影响较大,但是过多的引发剂对反应并不能起到促进加速作用。分析了环己基苯过氧化的自由基反应机理,构建出了相应的反应路径,建立了环己基苯液相过氧化反应的表观动力学模型。模型预测结果与实验数据吻合良好。动力学模型参数表明生成环己基苯过氧化氢的主反应过程是一个零级反应。研究结果有利于深化对环己基苯过氧化反应机理的认识,也可为工业反应器的设计和优化提供基础参数。

In the temperature range of 100-115℃,a certain amount of cyclohexylbenzene hydrogen peroxide was used as the initiator,and the effects of initiator concentration and temperature on the liquid phase peroxidation of cyclohexylbenzene were investigated under the condition of excluding mass transfer.The results showed that the conversion of cyclohexylbenzene and the selectivity of cyclohexylbenzene hydrogen peroxide were greatly affected by temperature,but too much initiator could not accelerate the reaction.The free radical reaction mechanism of cyclohexylbenzene peroxidation was analyzed,and the corresponding reaction path was established.The apparent kinetic model of liquid phase peroxidation of cyclohexylbenzene was established,the model prediction results were in good agreement with the experimental data.The kinetic model parameters obtained indicated that the main reaction process for generating cyclohexylbenzene hydrogen peroxide was a zero order reaction.The research results are helpful for deepening the understanding of the mechanism of cyclohexylbenzene peroxidation,and can also provide basic parameters for the design and optimization of industrial reactors.