摘要
适当简化之下,建立了O-甲基硫代磷酰二氯与甲醇在碱作用下合成O,O-二甲基硫代磷酰氯的复杂反应动力学模型,采用遗传算法处理等温恒定加碱速度的间歇反应实验数据,得相应的动力学模型参数。模拟计算了加碱速度、温度、甲醇与O-甲基硫代磷酰二氯的摩尔配比对产品质量与收率的影响。结果表明:缩短加碱时间、降低反应温度、合适的甲醇与O-甲基硫代磷酰二氯的摩尔配比,有利于提高产品质量与收率。
The kinetics of the reaction of O-methylphosphorodichloridothioate with methanol in alkali were studied from reaction course. With proper simplify, the complex kinetics model of O,O-dimethylphosphorochloridothioate synthesis was proposed. When the velocity of dripping alkali was invariable, the data of experiment was dealed with a genetic algorithm, the value of parameters was estimated. The relationships of the rate constants with the temperature were given and the activation energies were calculated. The model result agreed well with the experimental results. The effect of the time of dripping alkali, the reaction temperature and the initial mole ratio of methanol with O-methylphosphorodichloridothioate on the quality and yield was discussed. When the time of dripping alkali was shortened and the temperature was reduced, the quality and the yield of the product was increased.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2008年第3期357-360,共4页
Computers and Applied Chemistry
基金
湖南省自然科学基金项目(05JJ40002)
关键词
动力学
醇解反应
硫代磷酰氯
遗传算法
kinetics, alcoholysis reaction, phosphorochloridothioate, genetic algorithm
