On One Method of Parameter Estimation in Chemical Kinetics Using Spectra with Unknown Spectral Components

The method of successive estimation of regression parameters, which is widely used in nonlinear regression analysis, is applied to obtain kinetic information from spectral data for the case when the spectra of individual components are unknown. Using a model example with a two-step successive reaction, the reliability of the algorithm is demonstrated. To compare the proposed method with other known methods for estimating kinetic parameters literature data are used. All simulations were done using a new software for nonlinear regression analysis: FITTER. The proposed approach is especially useful when the spectra of reaction components are unknown and when formal calibration methods do not provide desirable accuracy.