用灵敏度法简化化学反应动力模型

Using sensitivity method to reduce the chemical reaction kinetics model

介绍了用于简化化学反应动力模型的灵敏度方法的基本思想与具体方法,然后用该方法来对两个化学反应实例:甲醛氧化反应和一氧化碳/氢气在空气中燃烧的化学反应进行简化,均得到了比较好的结果。

Sensitivity method used for reducing the chemical reaction kinetics model is introduced. In this method, with the aid of principal component analysis of the matrix F^TF where F is the rate sensitivity matrix, relatively important reactions can be identified from the complex reaction system by ranking the significant eigenvector elements of reaction subgroup with large eigenvalues of matrix F^TF. This method is further applied to analyze two chemical reactions, i.e., the high-temperature formaldehyde oxidation reaction and the carbon monoxide/hydrogen/air combustion reaction. The results show that both reactions can be significantly reduced by this method and the calculated species concentrations from reduced mechanism agree well with those calculated from detailed mechanism.