Global Sensitivity Analysis of Chemical Kinetic Reaction Mechanisms

摘要

In this work, the FAST method is upgraded for sensitivity analysis of chemical reaction mechanisms, and a criterion is presented for assigning appropriate frequencies to input parameters so that the interference from the input parameters can be effectively avoided. In addition, the new FAST method can successfully identify whether a reaction has a positive or negative effect on the products. In order to identify the important reactions in the entire reaction process, we employed the FAST method to obtain time-varying sensitivity indices since the model describing a chemical reaction process is always time-dependent. The performance of the new FAST method was evaluated by a detailed mechanism of H_2/air combustion model. The results show that the sensitivity indices obtained from the new FAST method can not only reflect the positive or negative contribution of a reaction to the products, but also quantitatively measure the effect of reactions on the products. Thus, this method can be a remarkably effective tool for the modelling and diagnosis of complex chemical reaction mechanisms..