环己酮肟低温溶剂重排反应动力学研究

Kinetics for Beckmann Rearrangement of Cyclohexanone Oxime with Solvent at Lower Temperature

实验考察了以环己烷为溶剂,环己酮肟在发烟硫酸催化下的Beckmann重排反应。结果发现,该反应能够在较低的温度下进行。在80℃、酸肟摩尔比为1.15的条件下,己内酰胺收率达到了98.68%。通过动力学实验,提出了能够预测新工艺在不同酸肟比、烟酸浓度及不同温度下的收率与时间关系的动力学模型,并借助遗传算法确定了反应动力学参数。模型预测检验及统计检验表明该动力学模型是可信的,而且模型预测值和实验结果较好地吻合。

Beckmann rearrangement of cyclohexanone oxime in oleum was investigated using cyclohexane as solvent at lower pemperature. The yield reached 98.68 % when the molecular ratio of sulfuric acid to oxime was 1.15 and the temperature was 80℃. A kinetic model, which could forecast the relationship between yield and reaction time under different operation conditions such as molecular ratio, oleum concentration and temperature, was proposed and corresponding parameters were estimated by using float genetic algorithm. Model forecast and statistics test showed that the simulation results agreed well with the experimental data.