超细粒子Fe-Mn工业催化剂F-T合成集总机理动力学(Ⅱ)参数估算与模型筛选  

Lumped mechanism kinetics of Fischer-Tropsch synthesis over ultrafine particle Fe-Mn commercial catalyst(Ⅱ) Evaluation of parameter and discrimination of model

作　　者：吉媛媛[1] 相宏伟[1] 李永旺[1] 徐元源[1] 钟炳[1] 

机构地区：[1]中国科学院山西煤炭化学研究所煤转化国家重点实验室

出　　处：《化工学报》2005年第6期1026-1030,共5页CIESC Journal

基　　金：山西省自然科学基金(20031032);中科院知识创新重大项目(KGCX1SW02);国家科技部"863"项目(2001AA523010).~~

摘　　要：为获得真实、准确的动力学参数,设计和安排了动力学实验,在参数估算过程中建立了CO转化率和CO2选择性两个目标函数.用传统的LevenbergMaquardt方法,通过对文(Ⅰ)建立的超细Fe-Mn工业催化剂F-T合成集总机理动力学模型参数的优化,得到最终的估算值.依据参数的物理意义、拟合程度和统计检验对建立的动力学模型进行模型筛选,最终获得的动力学模型可较好地描述CO转化率和CO2选择性,估算值与实验值相对残差一般小于25%.同时,所得模型可较好地解释催化剂反应性能.The kinetic experiments were designed to acquire the precise kinetic parameters. In the evaluation of kinetic parameters, CO conversion and CO_2 selectivity were established as two objective functions. The lumped mechanism kinetic model description candidates of the Fischer-Tropsch synthesis obtained in paper (Ⅰ) were evaluated by the optimization of kinetic parameters with the conventional Levenberg-Marqaurdt method.Then these model description candidates were screened according to the physical meaning of parameters, fitting degree and the statistical examination. Finally, the acquired kinetic models could well describe CO conversion and CO_2 selectivity. The errors between the calculated values and the experimental values were generally less than 25%. Meanwhile, the acquired model parameters could reasonably explain the commercial catalyst performance.

关 键 词：F-T合成 FE-MN催化剂 机理动力学 参数估算 模型筛选 

分 类 号：TQ529[化学工程—煤化学工程]