Automatic sensitivity analysis of kinetic mechanisms

Abstract

Abstract An algorithm for the automatic sensitivity analysis of kinetic mechanisms based on the Fourier amplitude sensitivity test (FAST) method of Shuler and co‐workers is reported. The algorithm computes a measure of the relative sensitivity of each concentration to each parameter of interest, such as rate constants, Arrhenius parameters, stoichiometric coefficients, and initial concentrations. Arbitrary variations in the magnitude of the parameters are allowable. The algorithm is illustrated for the simple example of computing the sensitivity of the concentration of species A to variation of the two Arrhenius parameters for the hypothetical reaction A + A →.