低温液相甲醇合成反应动力学模型与参数估计  

KINETIC MODEL AND PARAMETER ESTIMATION OF METHANOL SYNTHESIS AT LOWER TEMPERATURE

作　　者：赵亮富[1] 赵玉龙[1] 吕朝晖[1] 张碧江[1] 

机构地区：[1]中国科学院山西煤炭化学研究所,山西太原030001

出　　处：《化工学报》2002年第6期583-589,共7页CIESC Journal

摘　　要：由低温液相甲醇合成的反应机理出发 ,考虑了均相和多相催化剂的不同作用及不同的吸附方式 ,导出了两步法低温液相甲醇合成的动力学模型 .结合搅拌釜中测得的动力学数据 ,对动力学模型进行了筛选和参数回归 .结果表明氢气为分子吸附 ,反应为双位吸附反应 ,甲醇脱附为反应控制步骤的反应动力学模型能较好地拟合实验数据 .由此得到了低温液相甲醇合成反应动力学模型方程 ,模型满足F检验 ,且参数符合各自的物理意义 .该动力学模型由于是对两步反应综合起来进行动力学分析 。A kinetic model of two-step of methanol synthesis at lower temperature and pressure was derived on the basis of reaction mechanism in which different functions of two catalysts and adsorption methods were taken into account. Two reactions was concurrently analyzed for reaction mechanism, hence this kinetic model is useful in scale up. Model discrimination and parameter estimation were performed for the kinetics models of low temperature methanol synthesis on the basis of kinetic data measured in a stirred reactor. The results showed that the best model for fitting the experimental data is the model of 5-10 which takes into account that H2 is molecular adsorption, reaction is two-site adsorption reaction, and methanol desorption step is the rate determining step. The final model for methanol synthesis meets the requirement of statistic test (F-test) at 95% confidence level. The kinetic parameters for the final model agreed well with physical meaning.

关 键 词：甲醇 反应机理 动力学模型 参数估计 低温液相合成 

分 类 号：O623.411[理学—有机化学] O643.1[理学—化学]