气固催化反应L-H-H-W型等温动力学模型自动识别及图示

AUTOMATIC IDENTIFICATION AND PLOTTING OF KINETIC MODEL OF GAS-SOLID CATALYTIC REACTION FROM L-H-H-W MECHANISM

本文依据L-H-H-W机理采用组合方式对气固催化反应的动力学模型进行自动识别以及对找出模型进行三维立体图示诊断,建立了GSKM系统。GSKM系统主要包括模型寻优、固定模型参数估值和图示诊断。我们对从等温数据建立反应速率与温度、压力的关系作了较有实用意义的探讨。应用本系统,我们对文献上所提供的数据,进行了动力学模型自动识别及图示诊断,得到了较为满意的结果。

According to the L-H-H-W mechanism, we provide a software package (GSKM) here, which can automatically identificate the kinetic model of gas-solid catalytic reaction using the combination method, and then select the most suitable one to display out with a stereograph. The package mainly includes optimization of models, parameter estimation of fixed model and plotting. The practical discussion has been made on the establishment of functional relation of reaction rate versus temperature and pressure from isothermal experiment data. Using this package, the automatic identification of the kinetic models and the plotting of results have been made, and satisfactory results obtained.